smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H](F)C3)o2)c1 ZINC000561748404 1032062524 /nfs/dbraw/zinc/06/25/24/1032062524.db2.gz KITPSFYENQWCBA-CHWSQXEVSA-N 1 0 304.321 3.835 20 5 DHBDRO C[NH2+]Cc1cn(-c2ncc([N+](=O)[O-])c(C)c2C)c2ccc(C)cc12 ZINC001167122740 1013220734 /nfs/dbraw/zinc/22/07/34/1013220734.db2.gz BBGPOIRUOOHYTP-UHFFFAOYSA-N 1 0 324.384 3.578 20 5 DHBDRO C[NH2+]Cc1cn(-c2nc(C)cc(C)c2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167122788 1013225156 /nfs/dbraw/zinc/22/51/56/1013225156.db2.gz COGMEYLIPOPKPC-UHFFFAOYSA-N 1 0 324.384 3.578 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155127985 1013231730 /nfs/dbraw/zinc/23/17/30/1013231730.db2.gz AKRBPZGNDNHGJI-GHMZBOCLSA-N 1 0 303.362 3.654 20 5 DHBDRO CC(C)C1(C)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000426749412 1013501448 /nfs/dbraw/zinc/50/14/48/1013501448.db2.gz FTUTWYHAJGTDGX-UHFFFAOYSA-N 1 0 317.389 3.994 20 5 DHBDRO CC[C@H]([NH2+][C@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000336890497 1013510317 /nfs/dbraw/zinc/51/03/17/1013510317.db2.gz HJMSTFNOEVCCFN-WBVHZDCISA-N 1 0 312.369 3.639 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC000519641797 1013585231 /nfs/dbraw/zinc/58/52/31/1013585231.db2.gz GSFIRTKHVPSDEN-CYBMUJFWSA-N 1 0 317.776 3.633 20 5 DHBDRO C[C@@H](c1ccco1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083169594 1013782098 /nfs/dbraw/zinc/78/20/98/1013782098.db2.gz DRZGQNTWWYTKMW-JTQLQIEISA-N 1 0 301.302 3.522 20 5 DHBDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000610345673 1013957067 /nfs/dbraw/zinc/95/70/67/1013957067.db2.gz YIHUUKBRIBXPGR-DZGCQCFKSA-N 1 0 308.422 3.605 20 5 DHBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000064916254 1014045384 /nfs/dbraw/zinc/04/53/84/1014045384.db2.gz JNVUHARMAQBHAZ-UHFFFAOYSA-N 1 0 319.792 3.792 20 5 DHBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000441464281 1014168018 /nfs/dbraw/zinc/16/80/18/1014168018.db2.gz AIVCFAACSYKGRX-JKIFEVAISA-N 1 0 304.390 3.627 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H]1c1ccccc1 ZINC000580602332 1014246327 /nfs/dbraw/zinc/24/63/27/1014246327.db2.gz FZBXVNDDHYIXQW-QZTJIDSGSA-N 1 0 310.397 3.873 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@]1(C)CCCO ZINC000579764991 1014271618 /nfs/dbraw/zinc/27/16/18/1014271618.db2.gz QWXJGHAWAIUZNI-WTQUMQLASA-N 1 0 318.417 3.625 20 5 DHBDRO CCC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000320030439 1014376863 /nfs/dbraw/zinc/37/68/63/1014376863.db2.gz JNRYDSWFPIODPT-BZSNNMDCSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933082459 1014540181 /nfs/dbraw/zinc/54/01/81/1014540181.db2.gz NECRDNXVKPCBGH-YOEHRIQHSA-N 1 0 318.417 3.794 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000772954944 1032102846 /nfs/dbraw/zinc/10/28/46/1032102846.db2.gz ZKBAUDBICDXMPJ-LBPRGKRZSA-N 1 0 315.329 3.662 20 5 DHBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000442808678 1014741285 /nfs/dbraw/zinc/74/12/85/1014741285.db2.gz HSDOMRKJHWFVQR-IXDOHACOSA-N 1 0 304.390 3.519 20 5 DHBDRO CCC[C@H](CC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772954934 1032103143 /nfs/dbraw/zinc/10/31/43/1032103143.db2.gz QNPDKNFKAOTISO-AWEZNQCLSA-N 1 0 305.422 3.732 20 5 DHBDRO COc1ccc(C[NH2+]C[C@@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000521834072 1014818528 /nfs/dbraw/zinc/81/85/28/1014818528.db2.gz MAHOODYRNAGZRU-CYBMUJFWSA-N 1 0 306.406 3.909 20 5 DHBDRO CC(C)CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000610573636 1014853817 /nfs/dbraw/zinc/85/38/17/1014853817.db2.gz CAEDGYRQUKVNBR-UHFFFAOYSA-N 1 0 311.451 3.826 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1F ZINC001173187082 1033584342 /nfs/dbraw/zinc/58/43/42/1033584342.db2.gz WMFSSOCOHGGEHH-VXGBXAGGSA-N 1 0 310.369 3.548 20 5 DHBDRO C[C@@H]1CC(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000581676626 1015203619 /nfs/dbraw/zinc/20/36/19/1015203619.db2.gz CCHLPFDCHQGLNM-XNJGSVPQSA-N 1 0 318.417 3.765 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000895663349 1015247482 /nfs/dbraw/zinc/24/74/82/1015247482.db2.gz JYDIXUIOFIIIIM-TZMCWYRMSA-N 1 0 312.797 3.543 20 5 DHBDRO CC(C)C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000090910054 1015309783 /nfs/dbraw/zinc/30/97/83/1015309783.db2.gz GYRYDXYVOWIGKK-SFHVURJKSA-N 1 0 313.401 3.909 20 5 DHBDRO Cc1ccc(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000474813590 1015615318 /nfs/dbraw/zinc/61/53/18/1015615318.db2.gz SZZVXKZFWXQGNJ-OAHLLOKOSA-N 1 0 313.401 3.890 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000129713017 1015750012 /nfs/dbraw/zinc/75/00/12/1015750012.db2.gz AEPFRVXZKLVYCV-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO COCC[C@H](C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414484899 1015803642 /nfs/dbraw/zinc/80/36/42/1015803642.db2.gz QRGHKFUXYFLOJB-ZDUSSCGKSA-N 1 0 318.373 3.617 20 5 DHBDRO Cc1ccc([C@@H](C)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610799332 1015845055 /nfs/dbraw/zinc/84/50/55/1015845055.db2.gz SICKPKWTOCKBQG-IJEWVQPXSA-N 1 0 319.449 3.532 20 5 DHBDRO CC[C@@H](Cc1cccs1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000610811097 1015852723 /nfs/dbraw/zinc/85/27/23/1015852723.db2.gz YLLQLHLPZIMLGO-AWEZNQCLSA-N 1 0 304.415 3.810 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610832265 1015881297 /nfs/dbraw/zinc/88/12/97/1015881297.db2.gz OYPPBYJWHXBGFY-ZQIUZPCESA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1nc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000610946376 1015956142 /nfs/dbraw/zinc/95/61/42/1015956142.db2.gz KCKOBNDBTSSHSA-JTQLQIEISA-N 1 0 305.403 3.561 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000119446449 1016073146 /nfs/dbraw/zinc/07/31/46/1016073146.db2.gz GVEGDLSVQJQWTB-LBPRGKRZSA-N 1 0 318.348 3.503 20 5 DHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000538735724 1016163776 /nfs/dbraw/zinc/16/37/76/1016163776.db2.gz XNENFWSHACGWLN-UHFFFAOYSA-N 1 0 316.357 3.848 20 5 DHBDRO CCCC(O)(CCC)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000119705439 1016279320 /nfs/dbraw/zinc/27/93/20/1016279320.db2.gz ABBQICGOCYSHOE-VQHVLOKHSA-N 1 0 306.406 3.529 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000051532246 1016517919 /nfs/dbraw/zinc/51/79/19/1016517919.db2.gz SDCWSHOSPMJBDU-UHFFFAOYSA-N 1 0 320.776 3.889 20 5 DHBDRO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000281463204 1016528055 /nfs/dbraw/zinc/52/80/55/1016528055.db2.gz UIXBVWDCLVWRIC-CYBMUJFWSA-N 1 0 316.405 3.840 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000072555483 1016557035 /nfs/dbraw/zinc/55/70/35/1016557035.db2.gz SMWPJVPAWCDUHX-ZDUSSCGKSA-N 1 0 300.358 3.796 20 5 DHBDRO CCCC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158149106 1016651500 /nfs/dbraw/zinc/65/15/00/1016651500.db2.gz REAYOXXPANAIQY-UHFFFAOYSA-N 1 0 305.403 3.950 20 5 DHBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CC)c1ccccc1 ZINC000478418540 1016679953 /nfs/dbraw/zinc/67/99/53/1016679953.db2.gz QBIXPLSCNRBOCN-MRXNPFEDSA-N 1 0 316.405 3.655 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000562059207 1016808745 /nfs/dbraw/zinc/80/87/45/1016808745.db2.gz TWXOGGTUJXUUTJ-TUUVXOQKSA-N 1 0 306.381 3.786 20 5 DHBDRO Cc1cnc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185304440 1016839521 /nfs/dbraw/zinc/83/95/21/1016839521.db2.gz ODMBYQKUXYEDGM-OAHLLOKOSA-N 1 0 317.414 3.643 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000281988325 1016861155 /nfs/dbraw/zinc/86/11/55/1016861155.db2.gz ICZJRPHVOMMNQJ-BBRMVZONSA-N 1 0 304.390 3.595 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000323600805 1016906983 /nfs/dbraw/zinc/90/69/83/1016906983.db2.gz HORQDRNNRLWTHM-MPGHIAIKSA-N 1 0 320.433 3.824 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCSC3(CCC3)C2)cc1 ZINC000896950213 1016955336 /nfs/dbraw/zinc/95/53/36/1016955336.db2.gz CYKQDQOEWQDCRM-AWEZNQCLSA-N 1 0 306.431 3.545 20 5 DHBDRO [NH3+]Cc1cccn1-c1nc2c(ccc3ccccc32)nc1Cl ZINC001167589171 1017035334 /nfs/dbraw/zinc/03/53/34/1017035334.db2.gz BEDHBVAMPBOMIA-UHFFFAOYSA-N 1 0 308.772 3.686 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000847018558 1032179194 /nfs/dbraw/zinc/17/91/94/1032179194.db2.gz FTEBZMJLMWXHLD-IAGOWNOFSA-N 1 0 318.348 3.508 20 5 DHBDRO C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000772962962 1032199593 /nfs/dbraw/zinc/19/95/93/1032199593.db2.gz HKUZVDNKWZMBME-SHTZXODSSA-N 1 0 317.433 3.732 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000282724394 1032464360 /nfs/dbraw/zinc/46/43/60/1032464360.db2.gz METNRHANNPBWFN-PBHICJAKSA-N 1 0 318.417 3.903 20 5 DHBDRO C[C@H]1CSCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000537636779 1032465913 /nfs/dbraw/zinc/46/59/13/1032465913.db2.gz VAUUSEBHGWGYDU-LBPRGKRZSA-N 1 0 318.398 3.792 20 5 DHBDRO CCCCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000773080484 1032551015 /nfs/dbraw/zinc/55/10/15/1032551015.db2.gz MLWXRQWDFYVOSC-QGZVFWFLSA-N 1 0 316.405 3.703 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCC(F)(F)C1)CC2 ZINC000514080841 1012263518 /nfs/dbraw/zinc/26/35/18/1012263518.db2.gz YCOTULSVUOYAMI-GFCCVEGCSA-N 1 0 310.344 3.778 20 5 DHBDRO COCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000514695436 1012413735 /nfs/dbraw/zinc/41/37/35/1012413735.db2.gz BTESRZSTRWPDCR-CQSZACIVSA-N 1 0 306.406 3.842 20 5 DHBDRO CCC[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001167959720 1012598763 /nfs/dbraw/zinc/59/87/63/1012598763.db2.gz PKVDSHSHQLSLDP-OAHLLOKOSA-N 1 0 306.406 3.876 20 5 DHBDRO O=[N+]([O-])c1cc(CN2CCCO[C@@H](c3ccccc3)C2)cs1 ZINC000609233160 1012883605 /nfs/dbraw/zinc/88/36/05/1012883605.db2.gz AKUUEENLNDIWMB-OAHLLOKOSA-N 1 0 318.398 3.620 20 5 DHBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000137538903 1017173578 /nfs/dbraw/zinc/17/35/78/1017173578.db2.gz ZCSCDEMMJVQLHT-NSHDSACASA-N 1 0 317.311 3.510 20 5 DHBDRO CO[C@@]1(C)CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000475552651 1017422092 /nfs/dbraw/zinc/42/20/92/1017422092.db2.gz XHQJYDKRYCCSMV-XOVFHRFOSA-N 1 0 318.417 3.889 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248776590 1017487580 /nfs/dbraw/zinc/48/75/80/1017487580.db2.gz HQLLBSPYUQFWRN-HYVNUMGLSA-N 1 0 304.390 3.593 20 5 DHBDRO CC(C)CC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000053364146 1017548342 /nfs/dbraw/zinc/54/83/42/1017548342.db2.gz HSEAXDJWULWMOG-GFCCVEGCSA-N 1 0 318.377 3.684 20 5 DHBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCCC1 ZINC000083132913 1017569179 /nfs/dbraw/zinc/56/91/79/1017569179.db2.gz MABYHCAWTNYBJD-UHFFFAOYSA-N 1 0 303.362 3.891 20 5 DHBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444611579 1017586825 /nfs/dbraw/zinc/58/68/25/1017586825.db2.gz QSBQUCHOQDZMJQ-ZDUSSCGKSA-N 1 0 316.405 3.872 20 5 DHBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444665333 1017619066 /nfs/dbraw/zinc/61/90/66/1017619066.db2.gz UBEAGSRWLFGDBC-CYBMUJFWSA-N 1 0 316.405 3.872 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000444828574 1017690487 /nfs/dbraw/zinc/69/04/87/1017690487.db2.gz OGRFCVFNXCENNN-NWDGAFQWSA-N 1 0 309.797 3.595 20 5 DHBDRO CCc1ccccc1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001167646303 1017932221 /nfs/dbraw/zinc/93/22/21/1017932221.db2.gz AFAFPKKRUDIFAG-UHFFFAOYSA-N 1 0 310.397 3.758 20 5 DHBDRO O[C@]1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCSC1 ZINC000176757221 1017951199 /nfs/dbraw/zinc/95/11/99/1017951199.db2.gz MWDMNRAAMGNORJ-FQEVSTJZSA-N 1 0 323.461 3.951 20 5 DHBDRO CC[N@H+](CCc1cccs1)CCc1ccc([N+](=O)[O-])cc1 ZINC000524426352 1017993337 /nfs/dbraw/zinc/99/33/37/1017993337.db2.gz KXUOMMBHHRVAGI-UHFFFAOYSA-N 1 0 304.415 3.763 20 5 DHBDRO CCC[C@H]([NH2+]CCOC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353247990 1018059811 /nfs/dbraw/zinc/05/98/11/1018059811.db2.gz JQHSBGDZUHBHBH-LBPRGKRZSA-N 1 0 306.284 3.562 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC000172619759 1018071429 /nfs/dbraw/zinc/07/14/29/1018071429.db2.gz RCZBXSUBYLJHKS-INIZCTEOSA-N 1 0 318.348 3.983 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(F)cc1 ZINC000172673687 1018078436 /nfs/dbraw/zinc/07/84/36/1018078436.db2.gz QRDIDZJRPNYKHO-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO C[C@@H](NCC[C@@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184506008 1018083115 /nfs/dbraw/zinc/08/31/15/1018083115.db2.gz QWSOOZXFRXUZIN-HUUCEWRRSA-N 1 0 305.422 3.510 20 5 DHBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000524895234 1018119677 /nfs/dbraw/zinc/11/96/77/1018119677.db2.gz PSVFTJUBXZOVNL-HZPDHXFCSA-N 1 0 306.406 3.539 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173399062 1018196540 /nfs/dbraw/zinc/19/65/40/1018196540.db2.gz ICHWUPOAUARGKM-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000173457114 1018216522 /nfs/dbraw/zinc/21/65/22/1018216522.db2.gz JKLDAYVCOOLMTL-SJKOYZFVSA-N 1 0 318.348 3.772 20 5 DHBDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446828797 1018261144 /nfs/dbraw/zinc/26/11/44/1018261144.db2.gz ZJJZGJKFJYJFCB-NWDGAFQWSA-N 1 0 302.378 3.530 20 5 DHBDRO CS[C@H]1CCCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000441121481 1018261835 /nfs/dbraw/zinc/26/18/35/1018261835.db2.gz YCRCPMHOQOUMJI-ZDUSSCGKSA-N 1 0 314.838 3.966 20 5 DHBDRO CCCC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446839564 1018268751 /nfs/dbraw/zinc/26/87/51/1018268751.db2.gz SXZDBTJSZYZHPI-UHFFFAOYSA-N 1 0 316.405 3.920 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2cccs2)C2CC2)cc1 ZINC000764493691 1018295920 /nfs/dbraw/zinc/29/59/20/1018295920.db2.gz RBHZCJBUXYBJMD-UHFFFAOYSA-N 1 0 302.399 3.863 20 5 DHBDRO CN(C)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000783621036 1018316716 /nfs/dbraw/zinc/31/67/16/1018316716.db2.gz UUIKNBKCLJOLPL-UHFFFAOYSA-N 1 0 319.792 3.604 20 5 DHBDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537993 1018412350 /nfs/dbraw/zinc/41/23/50/1018412350.db2.gz ACSVKNPOJHACCQ-ZWKOTPCHSA-N 1 0 320.433 3.749 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(C)o1 ZINC000526047018 1018446310 /nfs/dbraw/zinc/44/63/10/1018446310.db2.gz SVBZZZYRYQLNBS-RAXLEYEMSA-N 1 0 300.358 3.732 20 5 DHBDRO Cn1cccc1[C@@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000175130429 1018501512 /nfs/dbraw/zinc/50/15/12/1018501512.db2.gz RLKMRGMDZWHZBZ-KRWDZBQOSA-N 1 0 317.364 3.800 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc1Cl ZINC000704233941 1018529317 /nfs/dbraw/zinc/52/93/17/1018529317.db2.gz JZQRDQCQCNTMBE-NEPJUHHUSA-N 1 0 312.822 3.718 20 5 DHBDRO C[N@H+](CCCCOc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000527356063 1018559932 /nfs/dbraw/zinc/55/99/32/1018559932.db2.gz APVCGNSRRCCIPK-UHFFFAOYSA-N 1 0 314.385 3.886 20 5 DHBDRO CC[C@H]([NH2+]CCCCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000278371467 1018622202 /nfs/dbraw/zinc/62/22/02/1018622202.db2.gz CFRSRNJFNDGJCI-INIZCTEOSA-N 1 0 322.405 3.569 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCN(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000480198332 1018657262 /nfs/dbraw/zinc/65/72/62/1018657262.db2.gz QEMCNGOYJHCBPN-HNNXBMFYSA-N 1 0 313.401 3.690 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCC1SCCS1 ZINC000693826395 1018773137 /nfs/dbraw/zinc/77/31/37/1018773137.db2.gz BOCOMBNPSYDWKU-UHFFFAOYSA-N 1 0 318.851 3.534 20 5 DHBDRO CC1(C)C[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000922951339 1018936821 /nfs/dbraw/zinc/93/68/21/1018936821.db2.gz NEFCSKPRBZWCHR-SOIVGHGOSA-N 1 0 318.417 3.791 20 5 DHBDRO CCCC[NH+](CCCC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052870269 1019017586 /nfs/dbraw/zinc/01/75/86/1019017586.db2.gz HWHBRGMLQBJCHD-UHFFFAOYSA-N 1 0 322.405 3.864 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C\c2ccc(F)cc2)cc1 ZINC000255071209 1019270920 /nfs/dbraw/zinc/27/09/20/1019270920.db2.gz NLUNNGDSHVYBOG-UPHRSURJSA-N 1 0 300.333 3.579 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000131443823 1019296166 /nfs/dbraw/zinc/29/61/66/1019296166.db2.gz BGCFQACROJWEOB-MRXNPFEDSA-N 1 0 300.333 3.819 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000611071388 1019393608 /nfs/dbraw/zinc/39/36/08/1019393608.db2.gz BLITUEVVAKPJIZ-MRXNPFEDSA-N 1 0 318.323 3.693 20 5 DHBDRO CCC1(O)CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000611327522 1019446334 /nfs/dbraw/zinc/44/63/34/1019446334.db2.gz HJINNGXRXQVEFU-KTAKPFMOSA-N 1 0 306.406 3.638 20 5 DHBDRO CSCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611518114 1019510829 /nfs/dbraw/zinc/51/08/29/1019510829.db2.gz CMRSJRBJZZBUJP-INIZCTEOSA-N 1 0 302.399 3.637 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ccoc1 ZINC000179137113 1019767582 /nfs/dbraw/zinc/76/75/82/1019767582.db2.gz BBLIIOHCMAWRRN-GDBMZVCRSA-N 1 0 300.358 3.689 20 5 DHBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)C(C)C ZINC000067653801 1019769601 /nfs/dbraw/zinc/76/96/01/1019769601.db2.gz AUBWCLWOEXTDSF-LBPRGKRZSA-N 1 0 318.377 3.511 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000765767593 1019775050 /nfs/dbraw/zinc/77/50/50/1019775050.db2.gz LHKFZFWUKKUAOG-KRWDZBQOSA-N 1 0 312.369 3.689 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000067949206 1019820550 /nfs/dbraw/zinc/82/05/50/1019820550.db2.gz BAVJYZCYCNFQRF-ZDUSSCGKSA-N 1 0 309.753 3.556 20 5 DHBDRO C[N@H+](CC[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001168765357 1020069412 /nfs/dbraw/zinc/06/94/12/1020069412.db2.gz INLOPDDTBCQJNY-ZIAGYGMSSA-N 1 0 316.323 3.550 20 5 DHBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001168765354 1020072643 /nfs/dbraw/zinc/07/26/43/1020072643.db2.gz INLOPDDTBCQJNY-KGLIPLIRSA-N 1 0 316.323 3.550 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555225949 1020149269 /nfs/dbraw/zinc/14/92/69/1020149269.db2.gz HFAOHNJZFZNLAH-JVPBZIDWSA-N 1 0 310.397 3.919 20 5 DHBDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093481440 1020154064 /nfs/dbraw/zinc/15/40/64/1020154064.db2.gz NBEQJGRYLIJHSY-GFCCVEGCSA-N 1 0 320.414 3.526 20 5 DHBDRO CC(C)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644437 1020163767 /nfs/dbraw/zinc/16/37/67/1020163767.db2.gz RCEWKEZYHNIZFD-ZBFHGGJFSA-N 1 0 319.449 3.633 20 5 DHBDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000155219610 1020201589 /nfs/dbraw/zinc/20/15/89/1020201589.db2.gz DKSOLMSEWJAGAH-INIZCTEOSA-N 1 0 312.369 3.593 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330641016 1020238021 /nfs/dbraw/zinc/23/80/21/1020238021.db2.gz QPWNIACNIPPHKE-HIFRSBDPSA-N 1 0 306.406 3.623 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000922837288 1020295055 /nfs/dbraw/zinc/29/50/55/1020295055.db2.gz SAHBSOHGDHHOKC-CABZTGNLSA-N 1 0 300.811 3.622 20 5 DHBDRO CC(C)CCn1cccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000161718218 1020412752 /nfs/dbraw/zinc/41/27/52/1020412752.db2.gz MSCJREUAMVLLFV-UHFFFAOYSA-N 1 0 301.390 3.732 20 5 DHBDRO CCCCC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)(C)C ZINC001307615167 1020472152 /nfs/dbraw/zinc/47/21/52/1020472152.db2.gz HHVGACVCJTWDJY-CQSZACIVSA-N 1 0 310.442 3.684 20 5 DHBDRO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000162381387 1020485233 /nfs/dbraw/zinc/48/52/33/1020485233.db2.gz DQPPMXZAUPIVGS-GJZGRUSLSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000765848972 1020502831 /nfs/dbraw/zinc/50/28/31/1020502831.db2.gz MLRPJHLATRKTRR-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000264335504 1032907349 /nfs/dbraw/zinc/90/73/49/1032907349.db2.gz LYZKYRNZDIZNDA-HNNXBMFYSA-N 1 0 318.348 3.983 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000153770713 1020581626 /nfs/dbraw/zinc/58/16/26/1020581626.db2.gz FCJIZHJQKLZKMY-MAUKXSAKSA-N 1 0 317.433 3.652 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000612578237 1020630737 /nfs/dbraw/zinc/63/07/37/1020630737.db2.gz XVZOVARZMCXLDW-SFHVURJKSA-N 1 0 312.369 3.946 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411969822 1020637307 /nfs/dbraw/zinc/63/73/07/1020637307.db2.gz MFNKIVJVDZLOIJ-BONVTDFDSA-N 1 0 312.797 3.541 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCC[C@H]3C3CC3)c2c1 ZINC000570360935 1020701807 /nfs/dbraw/zinc/70/18/07/1020701807.db2.gz DVGYMHADIKZPNC-RDJZCZTQSA-N 1 0 313.401 3.787 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000177807054 1020807407 /nfs/dbraw/zinc/80/74/07/1020807407.db2.gz ZCRGFSNCZISZHN-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173387355 1020911387 /nfs/dbraw/zinc/91/13/87/1020911387.db2.gz LYRKWTNHDHNRNW-QWHCGFSZSA-N 1 0 300.358 3.582 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000740017846 1020927419 /nfs/dbraw/zinc/92/74/19/1020927419.db2.gz CMBBZBVDBRZOBR-IRXDYDNUSA-N 1 0 320.433 3.833 20 5 DHBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000740870914 1020956921 /nfs/dbraw/zinc/95/69/21/1020956921.db2.gz LZCFCLIEBVCPPB-RYUDHWBXSA-N 1 0 311.813 3.557 20 5 DHBDRO C[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414266903 1021044904 /nfs/dbraw/zinc/04/49/04/1021044904.db2.gz MOOZGDMKVZHTSG-GHMZBOCLSA-N 1 0 304.312 3.704 20 5 DHBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000742427867 1021120854 /nfs/dbraw/zinc/12/08/54/1021120854.db2.gz SDFSZNJAMDOUAR-SNVBAGLBSA-N 1 0 317.311 3.510 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1ccncc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188769179 1021168253 /nfs/dbraw/zinc/16/82/53/1021168253.db2.gz WOGWSSIFOGGNLC-MLGOLLRUSA-N 1 0 315.373 3.800 20 5 DHBDRO C[C@H]([NH2+]Cc1c2ccccc2cc2ccccc21)C(=O)N(C)C ZINC001202288869 1021204529 /nfs/dbraw/zinc/20/45/29/1021204529.db2.gz KXMUUAKNNMGEFT-AWEZNQCLSA-N 1 0 306.409 3.559 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000776276441 1021218979 /nfs/dbraw/zinc/21/89/79/1021218979.db2.gz NCFKWNPMPLKTBD-CABCVRRESA-N 1 0 318.398 3.527 20 5 DHBDRO CC[N@@H+](Cc1ccccc1C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917436949 1021260249 /nfs/dbraw/zinc/26/02/49/1021260249.db2.gz PHVYOLVXLNMNKW-UHFFFAOYSA-N 1 0 324.384 3.733 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOc1cccc(F)c1 ZINC000537990857 1032964628 /nfs/dbraw/zinc/96/46/28/1032964628.db2.gz KFVMTUVTNKXSQW-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO Cc1cccc(OCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000537971757 1032969131 /nfs/dbraw/zinc/96/91/31/1032969131.db2.gz GGAZUNYHQZMMNE-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO CCOC[C@H]([NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)C(C)C ZINC000189354756 1021358265 /nfs/dbraw/zinc/35/82/65/1021358265.db2.gz LOFOUWCMOJHVLX-HIFRSBDPSA-N 1 0 324.421 3.705 20 5 DHBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618568497 1021426620 /nfs/dbraw/zinc/42/66/20/1021426620.db2.gz XKHFJNOYTWPHJM-MGPLVRAMSA-N 1 0 315.373 3.928 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000695087381 1021513180 /nfs/dbraw/zinc/51/31/80/1021513180.db2.gz INFTWHRBCZWLGR-SNVBAGLBSA-N 1 0 304.724 3.916 20 5 DHBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000744442061 1021546528 /nfs/dbraw/zinc/54/65/28/1021546528.db2.gz WBZHVTXCGMOFEK-MNOVXSKESA-N 1 0 321.402 3.950 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000290249337 1021559534 /nfs/dbraw/zinc/55/95/34/1021559534.db2.gz JSUHKVGKYDCDCT-DEYYWGMASA-N 1 0 314.385 3.676 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850530288 1021585272 /nfs/dbraw/zinc/58/52/72/1021585272.db2.gz YJGBPBFDIPFKEM-UYHISHBKSA-N 1 0 312.369 3.732 20 5 DHBDRO COc1cccc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000158965443 1021610068 /nfs/dbraw/zinc/61/00/68/1021610068.db2.gz AJRTZLXUCKTCBF-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO CCCC[N@H+](CC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158969917 1021611502 /nfs/dbraw/zinc/61/15/02/1021611502.db2.gz YEEGDPUOFSCTFR-UHFFFAOYSA-N 1 0 316.405 3.617 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCC2SCCS2)cccc1[N+](=O)[O-] ZINC000850570916 1021614558 /nfs/dbraw/zinc/61/45/58/1021614558.db2.gz NWPIGLUBPHPANM-LLVKDONJSA-N 1 0 312.460 3.750 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000290269276 1021619749 /nfs/dbraw/zinc/61/97/49/1021619749.db2.gz LHOKGZCAGGFGAK-BVGQSLNGSA-N 1 0 314.385 3.758 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000194810969 1021711134 /nfs/dbraw/zinc/71/11/34/1021711134.db2.gz NDFHJEQOEVSMOA-INIZCTEOSA-N 1 0 300.358 3.844 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000236656846 1021745332 /nfs/dbraw/zinc/74/53/32/1021745332.db2.gz OWFCRDWDXJRSIU-HNNXBMFYSA-N 1 0 319.449 3.682 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000619549305 1021785512 /nfs/dbraw/zinc/78/55/12/1021785512.db2.gz BPOHYQIRIGDFEU-ZDUSSCGKSA-N 1 0 309.435 3.865 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000746054438 1021836645 /nfs/dbraw/zinc/83/66/45/1021836645.db2.gz SFSPJKAIBUKJDX-OAHLLOKOSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000746053610 1021837444 /nfs/dbraw/zinc/83/74/44/1021837444.db2.gz GAOXXNQZNNPSEO-AWEZNQCLSA-N 1 0 312.797 3.543 20 5 DHBDRO C[N@@H+](Cc1cccc2cnccc21)Cc1ccccc1[N+](=O)[O-] ZINC000183062639 1021948475 /nfs/dbraw/zinc/94/84/75/1021948475.db2.gz IGTZPTGOBFMOOC-UHFFFAOYSA-N 1 0 307.353 3.775 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000290647480 1022116271 /nfs/dbraw/zinc/11/62/71/1022116271.db2.gz YXBNLWWKZRHBPJ-SIHGRVIMSA-N 1 0 306.365 3.536 20 5 DHBDRO CC(C)[C@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000920484997 1022127709 /nfs/dbraw/zinc/12/77/09/1022127709.db2.gz NBQLSWSPFNJHMR-GFCCVEGCSA-N 1 0 321.402 3.950 20 5 DHBDRO Cc1ccc(C)c([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1 ZINC001168926256 1022177851 /nfs/dbraw/zinc/17/78/51/1022177851.db2.gz ZHTKIWKNFPSYPI-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO CCOCCC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893187908 1022188828 /nfs/dbraw/zinc/18/88/28/1022188828.db2.gz UVJRXOMKPWWDBK-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO COc1cc(C)cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000893189940 1022196695 /nfs/dbraw/zinc/19/66/95/1022196695.db2.gz GWPXBZYNSCLUJS-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCCCC2)C1 ZINC001168976722 1022198092 /nfs/dbraw/zinc/19/80/92/1022198092.db2.gz FSXUHKKWAVNGAK-DOTOQJQBSA-N 1 0 302.418 3.881 20 5 DHBDRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168984292 1022199004 /nfs/dbraw/zinc/19/90/04/1022199004.db2.gz LRUAGIHDYBRECQ-XKQJLSEDSA-N 1 0 308.397 3.948 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccsc3)cc2)C1 ZINC001168984988 1022199494 /nfs/dbraw/zinc/19/94/94/1022199494.db2.gz RMHHKFWGSSHRQI-RHSMWYFYSA-N 1 0 316.426 3.950 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)c(Cl)cc2Cl)C1 ZINC001168959112 1022202177 /nfs/dbraw/zinc/20/21/77/1022202177.db2.gz TUUFEBJMVSFGJW-SCZZXKLOSA-N 1 0 321.179 3.668 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001168966317 1022203581 /nfs/dbraw/zinc/20/35/81/1022203581.db2.gz HYJSYKMUWCNANG-IWCVFHTOSA-N 1 0 302.418 3.748 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC001168965982 1022204190 /nfs/dbraw/zinc/20/41/90/1022204190.db2.gz FJGXUWRPMHIBFW-LPHOPBHVSA-N 1 0 310.397 3.889 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3F)CCC2)C1 ZINC001168996025 1022207843 /nfs/dbraw/zinc/20/78/43/1022207843.db2.gz UDCACXTVDYDHGI-ZBFHGGJFSA-N 1 0 320.408 3.574 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3F)CCC2)C1 ZINC001168996023 1022208516 /nfs/dbraw/zinc/20/85/16/1022208516.db2.gz UDCACXTVDYDHGI-GOEBONIOSA-N 1 0 320.408 3.574 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CC2CC2)c2cccc(F)c2)C1 ZINC001169001717 1022209531 /nfs/dbraw/zinc/20/95/31/1022209531.db2.gz HXNJVKYQOMPASX-XOKHGSTOSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2F)C1 ZINC001168997526 1022209902 /nfs/dbraw/zinc/20/99/02/1022209902.db2.gz CWEUXLAKEGBXHM-CPUCHLNUSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC001169005675 1022212305 /nfs/dbraw/zinc/21/23/05/1022212305.db2.gz BYMNTSNFZQRQBX-GUYCJALGSA-N 1 0 320.820 3.875 20 5 DHBDRO C[N@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033594 1022219617 /nfs/dbraw/zinc/21/96/17/1022219617.db2.gz CDHSUQCFVLDJPE-WCQYABFASA-N 1 0 316.323 3.583 20 5 DHBDRO C[N@H+](Cc1c(Cl)cccc1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038558 1022221218 /nfs/dbraw/zinc/22/12/18/1022221218.db2.gz ZPIJDGDBNBZHMY-GHMZBOCLSA-N 1 0 317.216 3.871 20 5 DHBDRO C[N@H+](Cc1cccc(Cl)c1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035290 1022221315 /nfs/dbraw/zinc/22/13/15/1022221315.db2.gz KARLPOILWUESCC-PWSUYJOCSA-N 1 0 317.216 3.871 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3ccccc3Cl)CC2)C1 ZINC001169039112 1022221684 /nfs/dbraw/zinc/22/16/84/1022221684.db2.gz NDFIOWKZPUXWFJ-ZFWWWQNUSA-N 1 0 322.836 3.965 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Cc3cccc(F)c3)CC2)C1 ZINC001169039288 1022221700 /nfs/dbraw/zinc/22/17/00/1022221700.db2.gz PHRVDYATTPULCG-AEFFLSMTSA-N 1 0 320.408 3.526 20 5 DHBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036172 1022223166 /nfs/dbraw/zinc/22/31/66/1022223166.db2.gz FPELEXPEHUVXPF-JSGCOSHPSA-N 1 0 316.323 3.583 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Sc3ccccc3)CC2)C1 ZINC001169039966 1022223908 /nfs/dbraw/zinc/22/39/08/1022223908.db2.gz WLIWZDHJDBLYAO-CABCVRRESA-N 1 0 320.458 3.689 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001169025502 1022229790 /nfs/dbraw/zinc/22/97/90/1022229790.db2.gz JQUTUPUUFOVXSQ-XJKCOSOUSA-N 1 0 308.809 3.922 20 5 DHBDRO Cc1cccc(C[N@H+](C2CC2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1C ZINC001169053919 1022230619 /nfs/dbraw/zinc/23/06/19/1022230619.db2.gz KJMNUZQDOINTMF-YJBOKZPZSA-N 1 0 302.418 3.713 20 5 DHBDRO Cc1cccc(C[N@H+](C2CC2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1C ZINC001169053916 1022231720 /nfs/dbraw/zinc/23/17/20/1022231720.db2.gz KJMNUZQDOINTMF-CRAIPNDOSA-N 1 0 302.418 3.713 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccc(F)cc3F)CC2)C1 ZINC001169054899 1022233870 /nfs/dbraw/zinc/23/38/70/1022233870.db2.gz OCNDPVQPCRQWSF-IUODEOHRSA-N 1 0 324.371 3.590 20 5 DHBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC001169136424 1022262778 /nfs/dbraw/zinc/26/27/78/1022262778.db2.gz LBTHFTQTFLUDIX-GUYCJALGSA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1F ZINC001169153827 1022286467 /nfs/dbraw/zinc/28/64/67/1022286467.db2.gz USCVCIKHSONXRF-PXAZEXFGSA-N 1 0 323.412 3.998 20 5 DHBDRO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C ZINC000538392532 1033050161 /nfs/dbraw/zinc/05/01/61/1033050161.db2.gz VCSPVFKZUOAIFJ-CYBMUJFWSA-N 1 0 318.377 3.559 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000615721295 1022546603 /nfs/dbraw/zinc/54/66/03/1022546603.db2.gz YKCFCZSLXQCUGN-RKCSUWQLSA-N 1 0 308.381 3.928 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCOC(C)(C)C ZINC000615835071 1022568599 /nfs/dbraw/zinc/56/85/99/1022568599.db2.gz GEPFPHPSOZJJJQ-KAMYIIQDSA-N 1 0 306.406 3.745 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCOC(C)(C)C ZINC000615835073 1022568751 /nfs/dbraw/zinc/56/87/51/1022568751.db2.gz GEPFPHPSOZJJJQ-SDNWHVSQSA-N 1 0 306.406 3.745 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417316735 1022674215 /nfs/dbraw/zinc/67/42/15/1022674215.db2.gz UUHNATIWVBJODG-HBUWYVDXSA-N 1 0 318.417 3.767 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(F)cn1)CCCC2 ZINC000417318379 1022674277 /nfs/dbraw/zinc/67/42/77/1022674277.db2.gz YQIYRUNCALZLFD-QGZVFWFLSA-N 1 0 315.348 3.686 20 5 DHBDRO Cc1noc(C)c1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308527 1022675453 /nfs/dbraw/zinc/67/54/53/1022675453.db2.gz CXJJVCWKZXAEOZ-QGZVFWFLSA-N 1 0 315.373 3.757 20 5 DHBDRO CC[C@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000616487723 1022733929 /nfs/dbraw/zinc/73/39/29/1022733929.db2.gz RDBBSUUUCUEMGH-KRWDZBQOSA-N 1 0 316.357 3.514 20 5 DHBDRO CCOc1cc(CN(C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000617194782 1022886511 /nfs/dbraw/zinc/88/65/11/1022886511.db2.gz ORVJJJYYZOQETA-UHFFFAOYSA-N 1 0 306.387 3.687 20 5 DHBDRO COC[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000769459540 1023158773 /nfs/dbraw/zinc/15/87/73/1023158773.db2.gz GDNODLXLUGMVIY-SFHVURJKSA-N 1 0 321.420 3.840 20 5 DHBDRO CCCC[NH+](CCCC)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC001156905423 1023403232 /nfs/dbraw/zinc/40/32/32/1023403232.db2.gz QGADUZDRGXUTPQ-UHFFFAOYSA-N 1 0 308.426 3.612 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000746674388 1023431098 /nfs/dbraw/zinc/43/10/98/1023431098.db2.gz VUYJPCZVILMEJV-LLVKDONJSA-N 1 0 306.749 3.831 20 5 DHBDRO CC(C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000786151615 1023664279 /nfs/dbraw/zinc/66/42/79/1023664279.db2.gz FOFSUBBXLYAIKR-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H]1C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000093503341 1023760832 /nfs/dbraw/zinc/76/08/32/1023760832.db2.gz BXYQVDCFUNIKSB-RYUDHWBXSA-N 1 0 317.414 3.806 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000049182758 1023839116 /nfs/dbraw/zinc/83/91/16/1023839116.db2.gz UUODYBKZYFVBSK-LBPRGKRZSA-N 1 0 306.387 3.694 20 5 DHBDRO C[C@@H]([NH2+]CCCc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788804969 1023936849 /nfs/dbraw/zinc/93/68/49/1023936849.db2.gz ZBWZWBKHXKVKKZ-GFCCVEGCSA-N 1 0 317.364 3.600 20 5 DHBDRO C[C@@H]([NH2+]C1CC(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788814211 1023945196 /nfs/dbraw/zinc/94/51/96/1023945196.db2.gz KEIMCMKRIVSJBT-UWTIGNOOSA-N 1 0 311.385 3.774 20 5 DHBDRO C[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000268295059 1024098545 /nfs/dbraw/zinc/09/85/45/1024098545.db2.gz WBBNPOATQQLORG-ABAIWWIYSA-N 1 0 320.780 3.532 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCC(F)(F)F)C1CC1 ZINC000268990396 1024211877 /nfs/dbraw/zinc/21/18/77/1024211877.db2.gz RBHVJBCYXKFJSZ-ZDUSSCGKSA-N 1 0 316.323 3.848 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000051501874 1024220265 /nfs/dbraw/zinc/22/02/65/1024220265.db2.gz HEJIIPIIAMOATE-NSHDSACASA-N 1 0 306.387 3.858 20 5 DHBDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000221954038 1024224910 /nfs/dbraw/zinc/22/49/10/1024224910.db2.gz FVTCMKZTMZYTKM-LLVKDONJSA-N 1 0 305.403 3.561 20 5 DHBDRO CCCC[N@@H+]1CCCC[C@H]1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000520214217 1024260820 /nfs/dbraw/zinc/26/08/20/1024260820.db2.gz JMAQVUVIVXIJHX-KRWDZBQOSA-N 1 0 319.449 3.647 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000531701765 1024273451 /nfs/dbraw/zinc/27/34/51/1024273451.db2.gz FZFFFINPUBHVLI-KBXCAEBGSA-N 1 0 314.385 3.942 20 5 DHBDRO C[C@@H](CCCc1cccnc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000453114612 1024340090 /nfs/dbraw/zinc/34/00/90/1024340090.db2.gz GPDDGRVMCXBDDY-HNNXBMFYSA-N 1 0 313.401 3.533 20 5 DHBDRO C[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883274731 1024344041 /nfs/dbraw/zinc/34/40/41/1024344041.db2.gz SRIUEGOVEOHLMK-ZYHUDNBSSA-N 1 0 313.348 3.653 20 5 DHBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000453147126 1024352729 /nfs/dbraw/zinc/35/27/29/1024352729.db2.gz ISIPVVCFJNTVOW-DAXOMENPSA-N 1 0 304.390 3.511 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@H]1CCCOC1 ZINC000883351810 1024397828 /nfs/dbraw/zinc/39/78/28/1024397828.db2.gz MMQMGIFJHPAGMQ-YCPHGPKFSA-N 1 0 306.406 3.759 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000883353510 1024399938 /nfs/dbraw/zinc/39/99/38/1024399938.db2.gz VWKZGQPTVUMMON-JLSDUUJJSA-N 1 0 318.417 3.767 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883363723 1024404795 /nfs/dbraw/zinc/40/47/95/1024404795.db2.gz LNWFMXSZCKVOQT-OOXMNIKJSA-N 1 0 316.401 3.689 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC1(F)F)CCC2 ZINC000453322726 1024463642 /nfs/dbraw/zinc/46/36/42/1024463642.db2.gz SXHXVEKJADVVFN-IUODEOHRSA-N 1 0 310.344 3.997 20 5 DHBDRO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000349287017 1024696924 /nfs/dbraw/zinc/69/69/24/1024696924.db2.gz UAXPXBUCIFDFOQ-RMKNXTFCSA-N 1 0 311.385 3.914 20 5 DHBDRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170305568 1024732183 /nfs/dbraw/zinc/73/21/83/1024732183.db2.gz NGHJLOHOLDMLGR-MJBXVCDLSA-N 1 0 308.422 3.949 20 5 DHBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCCC2)s1 ZINC000054389611 1024740411 /nfs/dbraw/zinc/74/04/11/1024740411.db2.gz KWRZVKBONROUCP-UHFFFAOYSA-N 1 0 317.414 3.864 20 5 DHBDRO CC(C)(C)c1cnc(CNCc2ccc([N+](=O)[O-])cc2)s1 ZINC000279119244 1024741518 /nfs/dbraw/zinc/74/15/18/1024741518.db2.gz LLTNOFNNBVQSPV-UHFFFAOYSA-N 1 0 305.403 3.639 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170325821 1024742837 /nfs/dbraw/zinc/74/28/37/1024742837.db2.gz AGNSBVHXVIVWCD-UPJWGTAASA-N 1 0 306.406 3.559 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328304 1024744399 /nfs/dbraw/zinc/74/43/99/1024744399.db2.gz JBTHJSTVNGXQSQ-KGLIPLIRSA-N 1 0 306.406 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328303 1024744910 /nfs/dbraw/zinc/74/49/10/1024744910.db2.gz JBTHJSTVNGXQSQ-KBPBESRZSA-N 1 0 306.406 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170336313 1024746526 /nfs/dbraw/zinc/74/65/26/1024746526.db2.gz WGJFXUKGLQQJSZ-GUYCJALGSA-N 1 0 324.396 3.749 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170329915 1024747545 /nfs/dbraw/zinc/74/75/45/1024747545.db2.gz WRSHVXMBVUFWAG-ZDUSSCGKSA-N 1 0 312.369 3.550 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170353472 1024747854 /nfs/dbraw/zinc/74/78/54/1024747854.db2.gz YNWHJFQQXZIRPI-IHRRRGAJSA-N 1 0 306.406 3.512 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170353471 1024748439 /nfs/dbraw/zinc/74/84/39/1024748439.db2.gz YNWHJFQQXZIRPI-HZSPNIEDSA-N 1 0 306.406 3.512 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170353473 1024749036 /nfs/dbraw/zinc/74/90/36/1024749036.db2.gz YNWHJFQQXZIRPI-MCIONIFRSA-N 1 0 306.406 3.512 20 5 DHBDRO COc1ccc(C[C@H](C)[N@H+](CC2CC2)C(C)C)c([N+](=O)[O-])c1 ZINC001170348487 1024758435 /nfs/dbraw/zinc/75/84/35/1024758435.db2.gz XOZBNPLRBJSYAY-ZDUSSCGKSA-N 1 0 306.406 3.655 20 5 DHBDRO CC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CCCC1 ZINC000728895755 1024773920 /nfs/dbraw/zinc/77/39/20/1024773920.db2.gz AYLRLRIDOQGXNN-UHFFFAOYSA-N 1 0 314.389 3.680 20 5 DHBDRO CCCC[N@H+](CC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898450 1024807533 /nfs/dbraw/zinc/80/75/33/1024807533.db2.gz WBJVZUDESBYTDF-UHFFFAOYSA-N 1 0 302.378 3.538 20 5 DHBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000792878019 1024821516 /nfs/dbraw/zinc/82/15/16/1024821516.db2.gz RBYXQOZJHFTINO-UHFFFAOYSA-N 1 0 321.358 3.589 20 5 DHBDRO C[NH+](C)Cc1ccc(CNc2c(F)cccc2[N+](=O)[O-])cc1F ZINC000342732418 1025032832 /nfs/dbraw/zinc/03/28/32/1025032832.db2.gz VHRFRZNLGILXAG-UHFFFAOYSA-N 1 0 321.327 3.547 20 5 DHBDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000236851501 1025060495 /nfs/dbraw/zinc/06/04/95/1025060495.db2.gz ORBQDBPNWSNFIF-CHWSQXEVSA-N 1 0 312.435 3.730 20 5 DHBDRO COc1cc(C)ccc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000539053340 1033255960 /nfs/dbraw/zinc/25/59/60/1033255960.db2.gz VAGMJSIAQOKXPC-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccsc1)[NH+](C)C ZINC000353442416 1025069555 /nfs/dbraw/zinc/06/95/55/1025069555.db2.gz VOVVTGFQTOSWAM-OAHLLOKOSA-N 1 0 305.403 3.680 20 5 DHBDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000121320266 1025086014 /nfs/dbraw/zinc/08/60/14/1025086014.db2.gz UWFKQAMVVMANEY-NEPJUHHUSA-N 1 0 320.414 3.745 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000178565070 1025214547 /nfs/dbraw/zinc/21/45/47/1025214547.db2.gz ATWTUZMFKJPCCL-ZWKOTPCHSA-N 1 0 314.385 3.759 20 5 DHBDRO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCC1CC1 ZINC000135265013 1033268748 /nfs/dbraw/zinc/26/87/48/1033268748.db2.gz KQAHUQNDJYLMQK-UHFFFAOYSA-N 1 0 315.373 3.524 20 5 DHBDRO CCC[C@H]([NH2+]Cc1cnn2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000353872476 1025274796 /nfs/dbraw/zinc/27/47/96/1025274796.db2.gz VVUQZBGSQREOOC-KRWDZBQOSA-N 1 0 324.384 3.874 20 5 DHBDRO COc1cc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000353884232 1025278053 /nfs/dbraw/zinc/27/80/53/1025278053.db2.gz WIBUCUFZIHWPIH-CHWSQXEVSA-N 1 0 322.405 3.623 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000279880922 1025303506 /nfs/dbraw/zinc/30/35/06/1025303506.db2.gz UPVWRWKJMNIJKT-MRXNPFEDSA-N 1 0 300.333 3.901 20 5 DHBDRO C[C@@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)c1ccccc1[N+](=O)[O-] ZINC000897458714 1025350223 /nfs/dbraw/zinc/35/02/23/1025350223.db2.gz CSLXIGSVMUMIAM-VNSJNIRKSA-N 1 0 318.417 3.636 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897459878 1025361826 /nfs/dbraw/zinc/36/18/26/1025361826.db2.gz PCWPCXPRCXXUGO-CABCVRRESA-N 1 0 318.417 3.780 20 5 DHBDRO C[NH+](C)CC1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804565349 1025362931 /nfs/dbraw/zinc/36/29/31/1025362931.db2.gz FNPRLZQMLNUVAN-UHFFFAOYSA-N 1 0 311.813 3.781 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccnc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000897463764 1025365947 /nfs/dbraw/zinc/36/59/47/1025365947.db2.gz INYJLJOQRKTYSF-JTQLQIEISA-N 1 0 323.755 3.676 20 5 DHBDRO CCc1cnc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897463652 1025366406 /nfs/dbraw/zinc/36/64/06/1025366406.db2.gz AZPIHSZZJOZBER-NSHDSACASA-N 1 0 305.403 3.507 20 5 DHBDRO C[C@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466190 1025368980 /nfs/dbraw/zinc/36/89/80/1025368980.db2.gz POYRHYYDDKANDA-CQSZACIVSA-N 1 0 319.449 3.551 20 5 DHBDRO COc1ccsc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466362 1025370551 /nfs/dbraw/zinc/37/05/51/1025370551.db2.gz SHXZJYOXJLSLGR-NSHDSACASA-N 1 0 306.387 3.558 20 5 DHBDRO C[NH+]1CCC2(CCCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000804682975 1025431740 /nfs/dbraw/zinc/43/17/40/1025431740.db2.gz FWBBYTYRHOSLJY-UHFFFAOYSA-N 1 0 323.824 3.560 20 5 DHBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886014086 1025438010 /nfs/dbraw/zinc/43/80/10/1025438010.db2.gz BWHGTUSGCIDNSU-GDBMZVCRSA-N 1 0 311.385 3.676 20 5 DHBDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000886016563 1025441413 /nfs/dbraw/zinc/44/14/13/1025441413.db2.gz HHGSPRQFAVPXNR-JSGCOSHPSA-N 1 0 312.797 3.686 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000090217421 1025453906 /nfs/dbraw/zinc/45/39/06/1025453906.db2.gz VNFBZKSGLNBVRI-RYUDHWBXSA-N 1 0 314.389 3.722 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000886109314 1025507607 /nfs/dbraw/zinc/50/76/07/1025507607.db2.gz HNKQEBSNFOSXTD-CJNGLKHVSA-N 1 0 304.390 3.595 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342819253 1025518337 /nfs/dbraw/zinc/51/83/37/1025518337.db2.gz AMMLVCYWIWLXGP-AEFFLSMTSA-N 1 0 318.417 3.862 20 5 DHBDRO CCC[N@H+](CCc1cccs1)Cc1cccnc1[N+](=O)[O-] ZINC000886135943 1025523240 /nfs/dbraw/zinc/52/32/40/1025523240.db2.gz BJGNLDIVSNGZEF-UHFFFAOYSA-N 1 0 305.403 3.506 20 5 DHBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000573550934 1025727203 /nfs/dbraw/zinc/72/72/03/1025727203.db2.gz JNZGRLPJQSCEQS-SRCQZFHVSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H](NCCC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000322117201 1025731054 /nfs/dbraw/zinc/73/10/54/1025731054.db2.gz QJDLFTWXUBZWOS-OAHLLOKOSA-N 1 0 319.449 3.900 20 5 DHBDRO COc1ccc(C[N@H+](C)CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000051852745 1025977481 /nfs/dbraw/zinc/97/74/81/1025977481.db2.gz JSVXSPKRWSFWJY-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO CC[C@@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237007975 1026040637 /nfs/dbraw/zinc/04/06/37/1026040637.db2.gz PGHAIRVPKXWGHC-ZDUSSCGKSA-N 1 0 320.414 3.838 20 5 DHBDRO C[C@@H]([N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(C)CC1 ZINC000089909237 1026071429 /nfs/dbraw/zinc/07/14/29/1026071429.db2.gz ZVQRWJVIEAOETA-GFCCVEGCSA-N 1 0 315.373 3.870 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289652357 1026113310 /nfs/dbraw/zinc/11/33/10/1026113310.db2.gz TWFCIOPFHZVQDF-XOKHGSTOSA-N 1 0 316.401 3.689 20 5 DHBDRO COCc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000122065147 1026168744 /nfs/dbraw/zinc/16/87/44/1026168744.db2.gz LQNYDXBRCPZMGV-AWEZNQCLSA-N 1 0 314.385 3.900 20 5 DHBDRO CSC1(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000289937460 1026240743 /nfs/dbraw/zinc/24/07/43/1026240743.db2.gz ZFTTUOYETONNCK-UHFFFAOYSA-N 1 0 320.336 3.599 20 5 DHBDRO CO[C@@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000280133342 1026596474 /nfs/dbraw/zinc/59/64/74/1026596474.db2.gz CNZRBMURTDJRMD-HNNXBMFYSA-N 1 0 312.797 3.639 20 5 DHBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809767832 1026605379 /nfs/dbraw/zinc/60/53/79/1026605379.db2.gz VNHFCTFIJOQRPQ-NSHDSACASA-N 1 0 302.827 3.822 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COc3ccccc32)cc1Cl ZINC000809790378 1026627582 /nfs/dbraw/zinc/62/75/82/1026627582.db2.gz CYSXMYYOBBYRIM-GFCCVEGCSA-N 1 0 318.760 3.514 20 5 DHBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000809965935 1026647185 /nfs/dbraw/zinc/64/71/85/1026647185.db2.gz QCHGDGRHVFUMMU-SNVBAGLBSA-N 1 0 321.229 3.839 20 5 DHBDRO CC[C@@H]1C[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000421384458 1026974337 /nfs/dbraw/zinc/97/43/37/1026974337.db2.gz MMUVCSMLMLJADD-DZKOEADISA-N 1 0 304.390 3.545 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000421383587 1026974581 /nfs/dbraw/zinc/97/45/81/1026974581.db2.gz ZJZUUPTXFZHIFM-UHFFFAOYSA-N 1 0 306.406 3.503 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421391210 1026979055 /nfs/dbraw/zinc/97/90/55/1026979055.db2.gz ABIAIUFDYORVJN-HNNXBMFYSA-N 1 0 320.433 3.703 20 5 DHBDRO CS[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811484751 1027009622 /nfs/dbraw/zinc/00/96/22/1027009622.db2.gz IXKMFJDYGGZJAL-SSDOTTSWSA-N 1 0 309.218 3.743 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000421864420 1027071287 /nfs/dbraw/zinc/07/12/87/1027071287.db2.gz XSYPXMFPNFCXDS-CFVMTHIKSA-N 1 0 322.405 3.602 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2ncco2)CC1 ZINC000931445788 1027125811 /nfs/dbraw/zinc/12/58/11/1027125811.db2.gz DPDYGNDWYYRAOQ-CYBMUJFWSA-N 1 0 315.373 3.832 20 5 DHBDRO C[C@@H]1C[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000228852796 1027146528 /nfs/dbraw/zinc/14/65/28/1027146528.db2.gz IJBKLTKFVMWOCC-RKDXNWHRSA-N 1 0 318.204 3.796 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2cc[nH]c21 ZINC000572988572 1027248386 /nfs/dbraw/zinc/24/83/86/1027248386.db2.gz JXVCQMHWQRVGNW-UHFFFAOYSA-N 1 0 309.369 3.751 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295651003 1027374324 /nfs/dbraw/zinc/37/43/24/1027374324.db2.gz HJHQRCSUWKBUDP-CQSZACIVSA-N 1 0 318.417 3.673 20 5 DHBDRO CCOc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000575761443 1027497991 /nfs/dbraw/zinc/49/79/91/1027497991.db2.gz AUGTVBQETJEFGM-QGZVFWFLSA-N 1 0 312.369 3.771 20 5 DHBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000296044021 1027526604 /nfs/dbraw/zinc/52/66/04/1027526604.db2.gz NIKNWBPNPHCUPS-STQMWFEESA-N 1 0 302.378 3.531 20 5 DHBDRO CC[C@H]([NH3+])CN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423471789 1027559036 /nfs/dbraw/zinc/55/90/36/1027559036.db2.gz PZTZJJJKADQWCA-NEPJUHHUSA-N 1 0 319.430 3.711 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933079264 1027669674 /nfs/dbraw/zinc/66/96/74/1027669674.db2.gz KXFISTXLJRQKPZ-GDBMZVCRSA-N 1 0 318.417 3.794 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000933490352 1027745737 /nfs/dbraw/zinc/74/57/37/1027745737.db2.gz VPWUDJKRLQGWNT-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1cc([C@@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000364017059 1027796755 /nfs/dbraw/zinc/79/67/55/1027796755.db2.gz ZFTSMRXURVFKBI-DZGCQCFKSA-N 1 0 314.389 3.567 20 5 DHBDRO CC(C)c1ccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000577634693 1027855129 /nfs/dbraw/zinc/85/51/29/1027855129.db2.gz VBWXJISNIJBNIJ-INIZCTEOSA-N 1 0 319.449 3.538 20 5 DHBDRO Cc1ccc([C@H](C)Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c(C)c1 ZINC001170726314 1027878203 /nfs/dbraw/zinc/87/82/03/1027878203.db2.gz MDPYSQQHBOBZCH-ZDUSSCGKSA-N 1 0 311.385 3.988 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Oc1ccccc1 ZINC000578083232 1028043051 /nfs/dbraw/zinc/04/30/51/1028043051.db2.gz PWQLNOFVBFPJLV-DYVFJYSZSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000601305105 1028071521 /nfs/dbraw/zinc/07/15/21/1028071521.db2.gz VEADZAFPDFZZOV-CYBMUJFWSA-N 1 0 312.369 3.518 20 5 DHBDRO COc1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)cc1[N+](=O)[O-] ZINC000295197768 1028077120 /nfs/dbraw/zinc/07/71/20/1028077120.db2.gz YFEIZDJJGDNGOZ-LBPRGKRZSA-N 1 0 314.332 3.519 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2ccccc2C1 ZINC000449064917 1028303689 /nfs/dbraw/zinc/30/36/89/1028303689.db2.gz WZPVPWZRQSMUPS-KBXCAEBGSA-N 1 0 310.397 3.673 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(F)cc(F)c1 ZINC000449076816 1028342329 /nfs/dbraw/zinc/34/23/29/1028342329.db2.gz XZDJZKAXWUSFLG-NSHDSACASA-N 1 0 306.312 3.594 20 5 DHBDRO Cc1cccc2[nH]c(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])nc21 ZINC000449207983 1028446305 /nfs/dbraw/zinc/44/63/05/1028446305.db2.gz OSKUWDBWPMWWSF-ZDUSSCGKSA-N 1 0 324.384 3.500 20 5 DHBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449252708 1028478951 /nfs/dbraw/zinc/47/89/51/1028478951.db2.gz ROGFLUGMFOWDPD-BHYGNILZSA-N 1 0 320.433 3.709 20 5 DHBDRO Cc1ccnc([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000564582361 1028479900 /nfs/dbraw/zinc/47/99/00/1028479900.db2.gz CCPPDSMJDDGQQH-HUUCEWRRSA-N 1 0 311.385 3.849 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000564820897 1028506809 /nfs/dbraw/zinc/50/68/09/1028506809.db2.gz SEHVQXLIIFPGMR-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO CC[C@H](c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369698193 1028519583 /nfs/dbraw/zinc/51/95/83/1028519583.db2.gz UULKRZJXDBSJMG-MRXNPFEDSA-N 1 0 314.389 3.580 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC000815575766 1028550688 /nfs/dbraw/zinc/55/06/88/1028550688.db2.gz ZQXVCQWOMJMRCL-BLLLJJGKSA-N 1 0 314.389 3.764 20 5 DHBDRO Cc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815582309 1028554654 /nfs/dbraw/zinc/55/46/54/1028554654.db2.gz CBCKWZQSLGCVRY-ZYHUDNBSSA-N 1 0 319.430 3.829 20 5 DHBDRO C=Cc1ccc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815628088 1028577918 /nfs/dbraw/zinc/57/79/18/1028577918.db2.gz QZAHBEUCJWVZPI-ZDUSSCGKSA-N 1 0 311.385 3.713 20 5 DHBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000449396913 1028599868 /nfs/dbraw/zinc/59/98/68/1028599868.db2.gz NHSHORIEXBGBOG-VQHVLOKHSA-N 1 0 311.385 3.570 20 5 DHBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449412198 1028628478 /nfs/dbraw/zinc/62/84/78/1028628478.db2.gz BRNCNJSEZAZGEI-INIZCTEOSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496007 1028708070 /nfs/dbraw/zinc/70/80/70/1028708070.db2.gz FTHIYXHXDUZBLP-AWEZNQCLSA-N 1 0 317.414 3.739 20 5 DHBDRO CC(C)[C@@H]1C[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000449497738 1028710201 /nfs/dbraw/zinc/71/02/01/1028710201.db2.gz RKWYZDQIZVYMCF-USVNEQSZSA-N 1 0 318.417 3.649 20 5 DHBDRO CSC1(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449501562 1028721383 /nfs/dbraw/zinc/72/13/83/1028721383.db2.gz PZJPWVMTBNEDMZ-AWEZNQCLSA-N 1 0 306.431 3.670 20 5 DHBDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475851 1028729110 /nfs/dbraw/zinc/72/91/10/1028729110.db2.gz QNKHBKGULAVJPL-IAGOWNOFSA-N 1 0 324.380 3.922 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000371635204 1028739105 /nfs/dbraw/zinc/73/91/05/1028739105.db2.gz TUYASLSXTGHDGB-CQSZACIVSA-N 1 0 317.433 3.652 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000371875849 1028769336 /nfs/dbraw/zinc/76/93/36/1028769336.db2.gz GWOMUVOQURKROV-MEQKGCOVSA-N 1 0 324.380 3.547 20 5 DHBDRO CC[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000372095405 1028805727 /nfs/dbraw/zinc/80/57/27/1028805727.db2.gz ODHCIVOHDRPAKG-RCCFBDPRSA-N 1 0 318.417 3.841 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@@H](c2cccs2)C1 ZINC000449617767 1028869816 /nfs/dbraw/zinc/86/98/16/1028869816.db2.gz ALFSGSTVXHTNEN-DZGCQCFKSA-N 1 0 318.398 3.666 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000449731146 1028938533 /nfs/dbraw/zinc/93/85/33/1028938533.db2.gz HKQMCAXDZWBTIT-ZNNBYXKUSA-N 1 0 318.442 3.827 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000449731145 1028939537 /nfs/dbraw/zinc/93/95/37/1028939537.db2.gz HKQMCAXDZWBTIT-SVEBXFOSSA-N 1 0 318.442 3.827 20 5 DHBDRO COC[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000449774918 1028989085 /nfs/dbraw/zinc/98/90/85/1028989085.db2.gz LMQAVODKMAROPG-QZFKAFNDSA-N 1 0 318.417 3.747 20 5 DHBDRO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000568139612 1029015245 /nfs/dbraw/zinc/01/52/45/1029015245.db2.gz JQELOGGYSLWEHU-PTNGSMBKSA-N 1 0 311.385 3.915 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOc1ccccc1 ZINC000155256671 1029211420 /nfs/dbraw/zinc/21/14/20/1029211420.db2.gz OLDARQUVHSEXQO-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO CC1CCC([NH+]2CCC(Nc3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000374420930 1029330040 /nfs/dbraw/zinc/33/00/40/1029330040.db2.gz DIEZWJNFMKSEIC-UHFFFAOYSA-N 1 0 324.450 3.506 20 5 DHBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000570368217 1029358793 /nfs/dbraw/zinc/35/87/93/1029358793.db2.gz YYCQSSNIRBDHBK-GOSISDBHSA-N 1 0 320.433 3.703 20 5 DHBDRO COC(C)(C)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544889 1029909042 /nfs/dbraw/zinc/90/90/42/1029909042.db2.gz GCXVNERRYASTON-HNNXBMFYSA-N 1 0 306.406 3.589 20 5 DHBDRO CC(C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000865746419 1030001346 /nfs/dbraw/zinc/00/13/46/1030001346.db2.gz NBKMHOYJKHOBPQ-DYLHUKMJSA-N 1 0 304.390 3.545 20 5 DHBDRO CCOc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000865786913 1030026093 /nfs/dbraw/zinc/02/60/93/1030026093.db2.gz UVOKDSUZSMGTOE-UHFFFAOYSA-N 1 0 300.358 3.592 20 5 DHBDRO CC1=C(C)CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000794879189 1030091570 /nfs/dbraw/zinc/09/15/70/1030091570.db2.gz FSDNHMBEZJHUNW-UHFFFAOYSA-N 1 0 319.386 3.872 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1(Br)CC1 ZINC000924799505 1030192484 /nfs/dbraw/zinc/19/24/84/1030192484.db2.gz SZNSHFFHYNCYBA-VHSXEESVSA-N 1 0 313.195 3.561 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](C(C)C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000357800574 1030196215 /nfs/dbraw/zinc/19/62/15/1030196215.db2.gz JLLMAQDOWCDZLX-HZPDHXFCSA-N 1 0 308.422 3.821 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000866307357 1030217765 /nfs/dbraw/zinc/21/77/65/1030217765.db2.gz YWXYJUURMCJVPU-GXFFZTMASA-N 1 0 316.323 3.832 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCCCO1 ZINC000866339269 1030239184 /nfs/dbraw/zinc/23/91/84/1030239184.db2.gz IBWSXBZULZWEMY-CZUORRHYSA-N 1 0 324.396 3.604 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)CC(F)F ZINC000866380923 1030266885 /nfs/dbraw/zinc/26/68/85/1030266885.db2.gz MRBQYBRPCLWXIF-VHSXEESVSA-N 1 0 304.312 3.546 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000925231880 1030314292 /nfs/dbraw/zinc/31/42/92/1030314292.db2.gz VCUSKRVXSZLTTL-IIVZCXTMSA-N 1 0 318.417 3.841 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000866507729 1030331631 /nfs/dbraw/zinc/33/16/31/1030331631.db2.gz GUYUSYYMCORTFJ-FDQGKXFDSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000866510181 1030336085 /nfs/dbraw/zinc/33/60/85/1030336085.db2.gz KMXCGUFAPXVXIF-JOQOYGCGSA-N 1 0 318.417 3.759 20 5 DHBDRO CC[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000866512098 1030337119 /nfs/dbraw/zinc/33/71/19/1030337119.db2.gz ZEPHGNSJXXUGAB-RYQLBKOJSA-N 1 0 318.417 3.841 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C2CC(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000558295243 1030525208 /nfs/dbraw/zinc/52/52/08/1030525208.db2.gz RIDCTSBVJBYPLA-KPPDAEKUSA-N 1 0 302.296 3.895 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC2CCOCC2)cc1Cl ZINC000824477206 1030560360 /nfs/dbraw/zinc/56/03/60/1030560360.db2.gz JZKIDVIMVURTBP-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO CCCCn1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000358657333 1030575595 /nfs/dbraw/zinc/57/55/95/1030575595.db2.gz RUKGDXNYWVBEGV-ZDUSSCGKSA-N 1 0 316.405 3.751 20 5 DHBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])ccc1C ZINC000291686324 1030597700 /nfs/dbraw/zinc/59/77/00/1030597700.db2.gz IMDUPBGFCRCWRT-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113346 1030620564 /nfs/dbraw/zinc/62/05/64/1030620564.db2.gz NVSSTEOCKICKJW-SECBINFHSA-N 1 0 323.780 3.746 20 5 DHBDRO Cn1cnc2cc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])ccc21 ZINC000291730504 1030620578 /nfs/dbraw/zinc/62/05/78/1030620578.db2.gz NTFUTWZUNGDUOM-UHFFFAOYSA-N 1 0 324.384 3.506 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1(Cl)CC1 ZINC000926113007 1030620700 /nfs/dbraw/zinc/62/07/00/1030620700.db2.gz LLUUXAUJPRBQAQ-VIFPVBQESA-N 1 0 303.189 3.540 20 5 DHBDRO CC[C@@](C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000824743958 1030635945 /nfs/dbraw/zinc/63/59/45/1030635945.db2.gz SRLRDMGMDCHUKE-ZDUSSCGKSA-N 1 0 321.204 3.806 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000926494003 1030763827 /nfs/dbraw/zinc/76/38/27/1030763827.db2.gz XOCITYKSQJGUGG-STQMWFEESA-N 1 0 314.389 3.928 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000359249769 1030867165 /nfs/dbraw/zinc/86/71/65/1030867165.db2.gz VNQXEJKLMZVFHQ-RYUDHWBXSA-N 1 0 303.337 3.849 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000359249767 1030867705 /nfs/dbraw/zinc/86/77/05/1030867705.db2.gz VNQXEJKLMZVFHQ-NWDGAFQWSA-N 1 0 303.337 3.849 20 5 DHBDRO CC[C@H](C)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122991243 1030936009 /nfs/dbraw/zinc/93/60/09/1030936009.db2.gz JKJQMXTXUCHYKX-VIFPVBQESA-N 1 0 301.184 3.588 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897535905 1031018756 /nfs/dbraw/zinc/01/87/56/1031018756.db2.gz GSFDTSDUMSIKCL-SPRNKHAWSA-N 1 0 318.417 3.529 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000927025189 1031039574 /nfs/dbraw/zinc/03/95/74/1031039574.db2.gz BKHJFZORFBIHIG-FFSVYQOJSA-N 1 0 306.431 3.846 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000927030308 1031041752 /nfs/dbraw/zinc/04/17/52/1031041752.db2.gz HQMDDEDQTMRJAT-VNHYZAJKSA-N 1 0 308.447 3.790 20 5 DHBDRO CCc1onc(C)c1C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000927143401 1031117882 /nfs/dbraw/zinc/11/78/82/1031117882.db2.gz ZCQRMIGZHDVWMW-OAHLLOKOSA-N 1 0 303.362 3.695 20 5 DHBDRO COCC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC001308819056 1031352054 /nfs/dbraw/zinc/35/20/54/1031352054.db2.gz ICMXKPUMCTVUPF-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO CC[C@@H](CCC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000872032961 1031416596 /nfs/dbraw/zinc/41/65/96/1031416596.db2.gz DBYSTBUZKDEAOM-LBPRGKRZSA-N 1 0 304.312 3.848 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041059 1031426306 /nfs/dbraw/zinc/42/63/06/1031426306.db2.gz PGSAFVYANADFJW-VXGBXAGGSA-N 1 0 303.337 3.583 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047990 1031436336 /nfs/dbraw/zinc/43/63/36/1031436336.db2.gz FVKLPIZELAIZOQ-CHWSQXEVSA-N 1 0 322.380 3.876 20 5 DHBDRO CC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000872047832 1031436458 /nfs/dbraw/zinc/43/64/58/1031436458.db2.gz GLVFWWZQDMQEAO-SJLPKXTDSA-N 1 0 320.433 3.712 20 5 DHBDRO C[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054573 1031442813 /nfs/dbraw/zinc/44/28/13/1031442813.db2.gz ZAHXLOZTUJFFPP-STQMWFEESA-N 1 0 324.396 3.573 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536840130 1031450607 /nfs/dbraw/zinc/45/06/07/1031450607.db2.gz PZBSYJOZBUMNSP-RYUDHWBXSA-N 1 0 317.389 3.962 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000536848085 1031455008 /nfs/dbraw/zinc/45/50/08/1031455008.db2.gz XQIUKXQRBHEGAL-KBPBESRZSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075432 1031471949 /nfs/dbraw/zinc/47/19/49/1031471949.db2.gz ATXXKSRTTUIAQY-SECBINFHSA-N 1 0 302.296 3.820 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCCCO ZINC000872076321 1031472876 /nfs/dbraw/zinc/47/28/76/1031472876.db2.gz ZHEPMEJACQYBBQ-NWDGAFQWSA-N 1 0 312.435 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnccc1C ZINC000872076924 1031474694 /nfs/dbraw/zinc/47/46/94/1031474694.db2.gz VONZZLUQXFJVDG-GFCCVEGCSA-N 1 0 317.414 3.871 20 5 DHBDRO Cc1cnc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c(C)c1 ZINC000872084129 1031480836 /nfs/dbraw/zinc/48/08/36/1031480836.db2.gz PIRSRWKRJUCKJI-ZDUSSCGKSA-N 1 0 317.364 3.639 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000872089268 1031485455 /nfs/dbraw/zinc/48/54/55/1031485455.db2.gz WCQXYQGBIRZMHH-VXGBXAGGSA-N 1 0 324.446 3.782 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000872090888 1031488499 /nfs/dbraw/zinc/48/84/99/1031488499.db2.gz FAZRXKILXCTWOB-KZWBYHQPSA-N 1 0 310.419 3.533 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000360663211 1031508904 /nfs/dbraw/zinc/50/89/04/1031508904.db2.gz JGUTYRXCJBJUNG-GOSISDBHSA-N 1 0 311.385 3.663 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360686012 1031521504 /nfs/dbraw/zinc/52/15/04/1031521504.db2.gz PEOGJIIBKDGGJC-LJQANCHMSA-N 1 0 324.380 3.616 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000293641658 1031552920 /nfs/dbraw/zinc/55/29/20/1031552920.db2.gz IBRDKEWXBGNSAI-VHSXEESVSA-N 1 0 321.327 3.867 20 5 DHBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000537306676 1031562915 /nfs/dbraw/zinc/56/29/15/1031562915.db2.gz KCMCLNHONIPERR-GUYJKWIASA-N 1 0 306.406 3.613 20 5 DHBDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293823336 1031641658 /nfs/dbraw/zinc/64/16/58/1031641658.db2.gz SCLWPXJIMZTOPB-KPZWWZAWSA-N 1 0 311.385 3.979 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCCF)cs2)c1 ZINC000361050617 1031696435 /nfs/dbraw/zinc/69/64/35/1031696435.db2.gz JDRRHKVTJITPQL-UHFFFAOYSA-N 1 0 309.366 3.558 20 5 DHBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000873078969 1031704054 /nfs/dbraw/zinc/70/40/54/1031704054.db2.gz AIRVIJBTWPNCAB-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000873099923 1031709017 /nfs/dbraw/zinc/70/90/17/1031709017.db2.gz GDHWVHFTRFOLRK-RHSMWYFYSA-N 1 0 306.406 3.505 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000873099925 1031710144 /nfs/dbraw/zinc/71/01/44/1031710144.db2.gz GDHWVHFTRFOLRK-YOEHRIQHSA-N 1 0 306.406 3.505 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000873102905 1031711221 /nfs/dbraw/zinc/71/12/21/1031711221.db2.gz BWKDHBATRQLWIU-JTQLQIEISA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873104807 1031712450 /nfs/dbraw/zinc/71/24/50/1031712450.db2.gz QAQIHXYYTUYLIU-LLVKDONJSA-N 1 0 319.430 3.870 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)c1nccs1 ZINC000873104588 1031713370 /nfs/dbraw/zinc/71/33/70/1031713370.db2.gz OMZSLCPCMWYFPE-LLVKDONJSA-N 1 0 305.403 3.561 20 5 DHBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000873215326 1031761272 /nfs/dbraw/zinc/76/12/72/1031761272.db2.gz XACJWPQFLXICNO-DZGCQCFKSA-N 1 0 317.776 3.675 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897748795 1031811739 /nfs/dbraw/zinc/81/17/39/1031811739.db2.gz FQVGEKDKGNIPSU-LQDVMPOASA-N 1 0 322.430 3.510 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897779734 1031830450 /nfs/dbraw/zinc/83/04/50/1031830450.db2.gz SCHPFBJZYHMPSK-CXANKNQVSA-N 1 0 316.401 3.545 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000897800909 1031843347 /nfs/dbraw/zinc/84/33/47/1031843347.db2.gz WJHFTAJWCYCNEK-VSKVDJIOSA-N 1 0 306.431 3.872 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846109768 1031859998 /nfs/dbraw/zinc/85/99/98/1031859998.db2.gz VNDUYDDLZYKSEL-VFQAQYNWSA-N 1 0 308.328 3.729 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898326284 1032022455 /nfs/dbraw/zinc/02/24/55/1032022455.db2.gz VGKLMHBDLZPWPH-YWPBOTNQSA-N 1 0 309.369 3.744 20 5 DHBDRO CO[C@@]1(C)CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877491098 1033319099 /nfs/dbraw/zinc/31/90/99/1033319099.db2.gz DROPIRUJUPAJRI-KRWDZBQOSA-N 1 0 306.406 3.603 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000477864689 1033357533 /nfs/dbraw/zinc/35/75/33/1033357533.db2.gz UWNONVWIOCZVIL-QZTJIDSGSA-N 1 0 320.433 3.967 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000877607499 1033380536 /nfs/dbraw/zinc/38/05/36/1033380536.db2.gz GQYFLEVIVVXMNZ-CQSZACIVSA-N 1 0 318.417 3.603 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1Cl ZINC000877711061 1033421461 /nfs/dbraw/zinc/42/14/61/1033421461.db2.gz VRKOHQJQZIRVDJ-CJNGLKHVSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccnc1 ZINC001172896874 1033434627 /nfs/dbraw/zinc/43/46/27/1033434627.db2.gz TUXMLMZEZYARLE-GUYCJALGSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cscn1 ZINC001172898751 1033434772 /nfs/dbraw/zinc/43/47/72/1033434772.db2.gz IYSKYKSWQQPUHK-RISCZKNCSA-N 1 0 317.414 3.650 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC13CCCC3)CC2 ZINC001172902864 1033437241 /nfs/dbraw/zinc/43/72/41/1033437241.db2.gz MOHQXQOESXTORT-RDJZCZTQSA-N 1 0 300.402 3.765 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccoc1 ZINC001172904269 1033437539 /nfs/dbraw/zinc/43/75/39/1033437539.db2.gz WCDKHPZUDVKURA-MLGOLLRUSA-N 1 0 300.358 3.786 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC[C@H](F)C1)CC2 ZINC001172907129 1033439688 /nfs/dbraw/zinc/43/96/88/1033439688.db2.gz DIJVDOPQBFAKEO-HOTGVXAUSA-N 1 0 306.381 3.666 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC[C@@H]3C=CCC3)nc2c1 ZINC000877807917 1033458841 /nfs/dbraw/zinc/45/88/41/1033458841.db2.gz YSQCLSKKVFOSAG-GFCCVEGCSA-N 1 0 301.346 3.572 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)o1 ZINC001172895682 1033461963 /nfs/dbraw/zinc/46/19/63/1033461963.db2.gz HHRQRFNIPVJMRJ-HNNXBMFYSA-N 1 0 300.358 3.533 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[C@@H](F)C1)CC2 ZINC001172896390 1033462459 /nfs/dbraw/zinc/46/24/59/1033462459.db2.gz OUPTVDHLMBTSJW-DAXOMENPSA-N 1 0 306.381 3.570 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(F)cc1)CC2 ZINC001172896209 1033462710 /nfs/dbraw/zinc/46/27/10/1033462710.db2.gz BMNMTHMFQOBSRA-KRWDZBQOSA-N 1 0 314.360 3.771 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@]3(CC3(F)F)C1)CC2 ZINC001172917682 1033463703 /nfs/dbraw/zinc/46/37/03/1033463703.db2.gz WLAVDUHSEFJPKS-GOEBONIOSA-N 1 0 322.355 3.573 20 5 DHBDRO CC[C@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172919320 1033467437 /nfs/dbraw/zinc/46/74/37/1033467437.db2.gz FVNDVBMDCYMMAN-YOEHRIQHSA-N 1 0 302.418 3.964 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCCCC13CC3)CC2 ZINC001172921309 1033470073 /nfs/dbraw/zinc/47/00/73/1033470073.db2.gz ODTZOAWEWUWQOM-MRXNPFEDSA-N 1 0 300.402 3.861 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC(F)(F)CC1)CC2 ZINC001172909234 1033482219 /nfs/dbraw/zinc/48/22/19/1033482219.db2.gz RGVRXROILMNBIH-AWEZNQCLSA-N 1 0 310.344 3.573 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCC1(F)F)CC2 ZINC001172911550 1033485354 /nfs/dbraw/zinc/48/53/54/1033485354.db2.gz JKKDTKYMYJILBX-HIFRSBDPSA-N 1 0 310.344 3.620 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCC1(F)F)CC2 ZINC001172911552 1033485458 /nfs/dbraw/zinc/48/54/58/1033485458.db2.gz JKKDTKYMYJILBX-ZFWWWQNUSA-N 1 0 310.344 3.620 20 5 DHBDRO COc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000152873768 1033547510 /nfs/dbraw/zinc/54/75/10/1033547510.db2.gz XKTDWRSODJLYTK-UHFFFAOYSA-N 1 0 316.332 3.521 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC2CCCC2)c1F ZINC001173177213 1033580991 /nfs/dbraw/zinc/58/09/91/1033580991.db2.gz RJKUFIAPPISSIA-LBPRGKRZSA-N 1 0 324.396 3.843 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccsc2)c1F ZINC001173175977 1033581027 /nfs/dbraw/zinc/58/10/27/1033581027.db2.gz WPWYZBCVCMCVOR-SNVBAGLBSA-N 1 0 324.377 3.525 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2[C@H](C)CCC[C@@H]2C)c1F ZINC001173181065 1033581448 /nfs/dbraw/zinc/58/14/48/1033581448.db2.gz BGMKATIQIJKQHN-XQQFMLRXSA-N 1 0 324.396 3.936 20 5 DHBDRO COC1CCC(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173219291 1033600880 /nfs/dbraw/zinc/60/08/80/1033600880.db2.gz ANPNAPFPRLSGQJ-KSTDHSDQSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001173221294 1033603763 /nfs/dbraw/zinc/60/37/63/1033603763.db2.gz HPEOMKPKKLGRGG-FPMFFAJLSA-N 1 0 310.344 3.503 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2cccnc21 ZINC001173230646 1033604954 /nfs/dbraw/zinc/60/49/54/1033604954.db2.gz SJCJFISPKVBGIS-CQSZACIVSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2sccc21 ZINC001173231085 1033605043 /nfs/dbraw/zinc/60/50/43/1033605043.db2.gz XHNBIOCHRKJTDA-IAQYHMDHSA-N 1 0 302.399 3.864 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ccn(C)c2c1 ZINC001173227420 1033606126 /nfs/dbraw/zinc/60/61/26/1033606126.db2.gz FMOXDHMTNZGCSZ-AWEZNQCLSA-N 1 0 323.396 3.807 20 5 DHBDRO Cc1ccc2c(c1)C[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173226515 1033606183 /nfs/dbraw/zinc/60/61/83/1033606183.db2.gz MIZFYJXVCDPOGN-OAHLLOKOSA-N 1 0 310.397 3.893 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)CC1CCOCC1 ZINC001173227508 1033606479 /nfs/dbraw/zinc/60/64/79/1033606479.db2.gz GPFGHQRJAYJSOY-AWEZNQCLSA-N 1 0 320.433 3.711 20 5 DHBDRO Cc1cccc(OCC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173233596 1033608853 /nfs/dbraw/zinc/60/88/53/1033608853.db2.gz JTVFVHDWKNGVGI-HNNXBMFYSA-N 1 0 314.385 3.503 20 5 DHBDRO COc1cccc2c1C[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173231554 1033609013 /nfs/dbraw/zinc/60/90/13/1033609013.db2.gz MRCDZKXCIFXSJJ-CYBMUJFWSA-N 1 0 312.369 3.550 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1cccc(F)c1 ZINC001173233399 1033609200 /nfs/dbraw/zinc/60/92/00/1033609200.db2.gz WGMXRPSUNYBXOR-AWEZNQCLSA-N 1 0 316.376 3.839 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001173233907 1033609467 /nfs/dbraw/zinc/60/94/67/1033609467.db2.gz LDRALKSMCCRBFT-SCLBCKFNSA-N 1 0 311.385 3.662 20 5 DHBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001173236244 1033614276 /nfs/dbraw/zinc/61/42/76/1033614276.db2.gz ZGLGRZCOAQDTQG-KSSFIOAISA-N 1 0 313.401 3.908 20 5 DHBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000553264958 1033639829 /nfs/dbraw/zinc/63/98/29/1033639829.db2.gz WABRSGAKGVXMAC-OCCSQVGLSA-N 1 0 303.362 3.729 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000878371693 1033679528 /nfs/dbraw/zinc/67/95/28/1033679528.db2.gz OKZKMULQQUTGOF-DZGCQCFKSA-N 1 0 304.390 3.656 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)cc1F ZINC000878753400 1033819824 /nfs/dbraw/zinc/81/98/24/1033819824.db2.gz JQGVLGSLGPXZOJ-OAHLLOKOSA-N 1 0 315.348 3.509 20 5 DHBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000553805931 1033847824 /nfs/dbraw/zinc/84/78/24/1033847824.db2.gz LUFLWFNWOHIZFJ-UHFFFAOYSA-N 1 0 306.387 3.604 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671975 1034081398 /nfs/dbraw/zinc/08/13/98/1034081398.db2.gz INXNUUWUHQAMNR-VXGBXAGGSA-N 1 0 318.270 3.721 20 5 DHBDRO COc1ncc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001174034873 1034089013 /nfs/dbraw/zinc/08/90/13/1034089013.db2.gz GASYYKNQBGIXNG-UHFFFAOYSA-N 1 0 317.352 3.512 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)cccc1[N+](=O)[O-] ZINC000178550119 1034246136 /nfs/dbraw/zinc/24/61/36/1034246136.db2.gz GDCQKYVVJQEOJL-UONOGXRCSA-N 1 0 314.385 3.807 20 5 DHBDRO CN1C[C@H]([NH2+]Cc2c3ccccc3cc3ccccc32)CCC1=O ZINC000119907253 1034301373 /nfs/dbraw/zinc/30/13/73/1034301373.db2.gz ZFHGLMWHXTWYLD-QGZVFWFLSA-N 1 0 318.420 3.703 20 5 DHBDRO Cc1ccc(C[N@@H+](C)C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000183253623 1034366694 /nfs/dbraw/zinc/36/66/94/1034366694.db2.gz QYAXOJMZDVLTSQ-GFCCVEGCSA-N 1 0 305.403 3.595 20 5 DHBDRO CC[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000927159701 1034372708 /nfs/dbraw/zinc/37/27/08/1034372708.db2.gz HRXTVZDYVRVRON-HOTGVXAUSA-N 1 0 304.390 3.737 20 5 DHBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183338519 1034378423 /nfs/dbraw/zinc/37/84/23/1034378423.db2.gz DGZYYIUHRNRFGC-QGZVFWFLSA-N 1 0 306.406 3.684 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000554933805 1034420030 /nfs/dbraw/zinc/42/00/30/1034420030.db2.gz PDYLQDGTGREPJQ-ZIAGYGMSSA-N 1 0 306.406 3.587 20 5 DHBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481179541 1034632706 /nfs/dbraw/zinc/63/27/06/1034632706.db2.gz YZKCFRBKWJKBOB-FZMZJTMJSA-N 1 0 310.369 3.801 20 5 DHBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481210028 1034663023 /nfs/dbraw/zinc/66/30/23/1034663023.db2.gz VXOFXYMJLOWERY-UHIISALHSA-N 1 0 310.369 3.657 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777440460 1034743891 /nfs/dbraw/zinc/74/38/91/1034743891.db2.gz WUPBOUGZOHJMGK-OAHLLOKOSA-N 1 0 324.808 3.639 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cl)cn1)CCC2 ZINC000193069884 1034830468 /nfs/dbraw/zinc/83/04/68/1034830468.db2.gz BKMOZKGYFUXCIX-MRXNPFEDSA-N 1 0 317.776 3.810 20 5 DHBDRO CCC[C@H](C)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159418699 1035052209 /nfs/dbraw/zinc/05/22/09/1035052209.db2.gz RLIDAXAXUKVRMK-JTQLQIEISA-N 1 0 315.211 3.978 20 5 DHBDRO Cc1cccc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000160059707 1035131159 /nfs/dbraw/zinc/13/11/59/1035131159.db2.gz SDWRNDRZYAHXQU-GOSISDBHSA-N 1 0 311.385 3.678 20 5 DHBDRO CCC1(CC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001175898695 1035154024 /nfs/dbraw/zinc/15/40/24/1035154024.db2.gz VPCOINGQQHGUCP-UHFFFAOYSA-N 1 0 307.350 3.658 20 5 DHBDRO CC[C@@H](C)C[N@H+](CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000482883841 1035194505 /nfs/dbraw/zinc/19/45/05/1035194505.db2.gz BEKDALKMNBAYPK-CYBMUJFWSA-N 1 0 321.421 3.600 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000160493227 1035196660 /nfs/dbraw/zinc/19/66/60/1035196660.db2.gz BGSZSALVGXLREI-AWEZNQCLSA-N 1 0 306.406 3.765 20 5 DHBDRO C[C@@H](C[NH2+][C@H]1CCCc2ncccc21)c1ccccc1[N+](=O)[O-] ZINC000903246188 1035294005 /nfs/dbraw/zinc/29/40/05/1035294005.db2.gz RWSVZJPRTPTVOL-GUYCJALGSA-N 1 0 311.385 3.761 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001176655209 1035316176 /nfs/dbraw/zinc/31/61/76/1035316176.db2.gz FOUMMJMCZSKTLM-HOCLYGCPSA-N 1 0 304.365 3.744 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cccc1[N+](=O)[O-] ZINC000484150033 1035321580 /nfs/dbraw/zinc/32/15/80/1035321580.db2.gz YTRIUCNVWZKVSY-RHSMWYFYSA-N 1 0 308.422 3.741 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1(C)CC1 ZINC001176767671 1035328977 /nfs/dbraw/zinc/32/89/77/1035328977.db2.gz QCAUPYWJJUQPDY-SECBINFHSA-N 1 0 302.296 3.892 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cn2ccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC001178203953 1035414762 /nfs/dbraw/zinc/41/47/62/1035414762.db2.gz GLRPRMRYJRBNJI-CQSZACIVSA-N 1 0 316.386 3.545 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3ccccc3C2)c1 ZINC001178393307 1035424832 /nfs/dbraw/zinc/42/48/32/1035424832.db2.gz MOTNQQRMUDCQIB-SFHVURJKSA-N 1 0 310.397 3.675 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc2nccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC001178365380 1035425675 /nfs/dbraw/zinc/42/56/75/1035425675.db2.gz GXEUHOHWCFQYET-INIZCTEOSA-N 1 0 322.368 3.779 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC000924799725 1035434554 /nfs/dbraw/zinc/43/45/54/1035434554.db2.gz UGYYBSWXQCKBCJ-CHWSQXEVSA-N 1 0 314.389 3.928 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccccc1N(C)C)c1ccccc1[N+](=O)[O-] ZINC001179685586 1035488963 /nfs/dbraw/zinc/48/89/63/1035488963.db2.gz OPWAWILIDRIRAJ-AWEZNQCLSA-N 1 0 313.401 3.554 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccccc1N(C)C)c1ccccc1[N+](=O)[O-] ZINC001179685587 1035489138 /nfs/dbraw/zinc/48/91/38/1035489138.db2.gz OPWAWILIDRIRAJ-CQSZACIVSA-N 1 0 313.401 3.554 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141578 1035609387 /nfs/dbraw/zinc/60/93/87/1035609387.db2.gz ZUYUHQOHFYFGDT-RYUDHWBXSA-N 1 0 302.296 3.806 20 5 DHBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001193664780 1035700425 /nfs/dbraw/zinc/70/04/25/1035700425.db2.gz ZVPBYTXPBZFXMA-SMDDNHRTSA-N 1 0 321.377 3.807 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494699988 1035777538 /nfs/dbraw/zinc/77/75/38/1035777538.db2.gz AJCNDYSZYSLEOI-UKRRQHHQSA-N 1 0 304.390 3.547 20 5 DHBDRO CC[C@@H](NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193024056 1035864701 /nfs/dbraw/zinc/86/47/01/1035864701.db2.gz GHRZLEIRTMVLOF-QGZVFWFLSA-N 1 0 305.422 3.512 20 5 DHBDRO CC1(C)CCC(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CC1 ZINC001181463447 1035921204 /nfs/dbraw/zinc/92/12/04/1035921204.db2.gz AZRLZOHHYDNGSM-UHFFFAOYSA-N 1 0 305.422 3.576 20 5 DHBDRO COC(C)(C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539927905 1035932637 /nfs/dbraw/zinc/93/26/37/1035932637.db2.gz WXDNITWQHGBHKP-UHFFFAOYSA-N 1 0 318.373 3.712 20 5 DHBDRO CCOc1ccccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540176246 1035994433 /nfs/dbraw/zinc/99/44/33/1035994433.db2.gz PZQGQERXZLQLQT-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540220543 1036020458 /nfs/dbraw/zinc/02/04/58/1036020458.db2.gz QDQNGCQZWZQZKA-TZMCWYRMSA-N 1 0 320.414 3.657 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000027211595 1036219059 /nfs/dbraw/zinc/21/90/59/1036219059.db2.gz AQLQYEKHUOOWAR-GFCCVEGCSA-N 1 0 318.348 3.936 20 5 DHBDRO Cc1ncc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000774265460 1036267269 /nfs/dbraw/zinc/26/72/69/1036267269.db2.gz MWMMNCLMYQLLTC-INIZCTEOSA-N 1 0 317.414 3.569 20 5 DHBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775680825 1036412017 /nfs/dbraw/zinc/41/20/17/1036412017.db2.gz GWJSTDCMQFGFIW-XOKHGSTOSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775680827 1036413246 /nfs/dbraw/zinc/41/32/46/1036413246.db2.gz GWJSTDCMQFGFIW-XYPHTWIQSA-N 1 0 306.406 3.577 20 5 DHBDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090217914 1036466971 /nfs/dbraw/zinc/46/69/71/1036466971.db2.gz QEFKCUYFAOMLST-YSVLISHTSA-N 1 0 306.406 3.697 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC001183095281 1036522820 /nfs/dbraw/zinc/52/28/20/1036522820.db2.gz OBVCTUVSZFVIRJ-MRXNPFEDSA-N 1 0 320.433 3.849 20 5 DHBDRO CCCC[C@H](COC)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495368255 1036567601 /nfs/dbraw/zinc/56/76/01/1036567601.db2.gz FUUZHHIGKQPWIW-CQSZACIVSA-N 1 0 314.813 3.586 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)cccc1[N+](=O)[O-] ZINC000271895553 1036627735 /nfs/dbraw/zinc/62/77/35/1036627735.db2.gz UBQWMUBQQRCTLA-DZGCQCFKSA-N 1 0 320.433 3.743 20 5 DHBDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC001183653166 1036642271 /nfs/dbraw/zinc/64/22/71/1036642271.db2.gz ZVMDVIDYBUIPRJ-DAXOMENPSA-N 1 0 306.406 3.839 20 5 DHBDRO CS[C@H]1CCCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492209499 1036787174 /nfs/dbraw/zinc/78/71/74/1036787174.db2.gz LOOSPPXOHLRIIE-NSHDSACASA-N 1 0 314.838 3.966 20 5 DHBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000301079002 1036866930 /nfs/dbraw/zinc/86/69/30/1036866930.db2.gz IBLRWOSTMHVESY-UHFFFAOYSA-N 1 0 319.327 3.613 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2ccccc2)C2CC2)c(F)c1 ZINC001198063100 1036948946 /nfs/dbraw/zinc/94/89/46/1036948946.db2.gz ZQYYGDORLPXFHP-UHFFFAOYSA-N 1 0 314.360 3.941 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000488411986 1037009575 /nfs/dbraw/zinc/00/95/75/1037009575.db2.gz NWEPXMLRQWVSLF-SWLSCSKDSA-N 1 0 324.446 3.613 20 5 DHBDRO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(C)CC1 ZINC001198407533 1037014712 /nfs/dbraw/zinc/01/47/12/1037014712.db2.gz WGJKCGNFQFQIPZ-LLVKDONJSA-N 1 0 301.346 3.528 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000492914227 1037056702 /nfs/dbraw/zinc/05/67/02/1037056702.db2.gz WTNXJUDJQCXDQM-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2ccccc2F)c1 ZINC000035368102 1037078104 /nfs/dbraw/zinc/07/81/04/1037078104.db2.gz NRPFGZMGQWGSEC-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001198800933 1037139353 /nfs/dbraw/zinc/13/93/53/1037139353.db2.gz NNWMITOICIVDKM-XJKSGUPXSA-N 1 0 306.406 3.793 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC000774910221 1037202208 /nfs/dbraw/zinc/20/22/08/1037202208.db2.gz UIXHFGQMUZYZLN-UHFFFAOYSA-N 1 0 319.361 3.659 20 5 DHBDRO Cc1ccc(OCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761523730 1037342491 /nfs/dbraw/zinc/34/24/91/1037342491.db2.gz WZIAOEBHEKJFIR-UHFFFAOYSA-N 1 0 320.776 3.725 20 5 DHBDRO CC(C)CSCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761527949 1037348997 /nfs/dbraw/zinc/34/89/97/1037348997.db2.gz UWEIPWFRAFPJHL-UHFFFAOYSA-N 1 0 302.827 3.727 20 5 DHBDRO Cc1cc(NCC(C)(C)C[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC001186334708 1037376145 /nfs/dbraw/zinc/37/61/45/1037376145.db2.gz HQRPXKUSAHEEAG-UHFFFAOYSA-N 1 0 309.385 3.576 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234040 1037416030 /nfs/dbraw/zinc/41/60/30/1037416030.db2.gz MFVWKGIENZIQPN-GOSISDBHSA-N 1 0 312.369 3.558 20 5 DHBDRO CC[NH+](CC)CCSc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488064690 1037620331 /nfs/dbraw/zinc/62/03/31/1037620331.db2.gz AMDKGLMTLWKWCA-UHFFFAOYSA-N 1 0 305.403 3.577 20 5 DHBDRO CCOC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000494211092 1037669806 /nfs/dbraw/zinc/66/98/06/1037669806.db2.gz DGBSCLWJELUBBA-LBPRGKRZSA-N 1 0 320.414 3.838 20 5 DHBDRO Cc1ccnc(NC2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC001187639792 1037678648 /nfs/dbraw/zinc/67/86/48/1037678648.db2.gz IHSAZUJIXPAHMK-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000490538064 1037732767 /nfs/dbraw/zinc/73/27/67/1037732767.db2.gz DZEJVTNCBAHMEM-YVEFUNNKSA-N 1 0 300.333 3.927 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000154020349 1037773535 /nfs/dbraw/zinc/77/35/35/1037773535.db2.gz XHHIPQQAJONJQQ-BJJXKVORSA-N 1 0 322.405 3.602 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(F)c1 ZINC000491114909 1037907609 /nfs/dbraw/zinc/90/76/09/1037907609.db2.gz QRLMHOBOZAPYNS-HNNXBMFYSA-N 1 0 314.360 3.799 20 5 DHBDRO Cc1cccc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000570935903 1038039707 /nfs/dbraw/zinc/03/97/07/1038039707.db2.gz LRLBECQFTHNSJH-OWCLPIDISA-N 1 0 317.433 3.745 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000609196494 1038074668 /nfs/dbraw/zinc/07/46/68/1038074668.db2.gz VYMLPBPLVUGIEW-ZDUSSCGKSA-N 1 0 318.323 3.863 20 5 DHBDRO Cc1nccn1CCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000164643681 1038235579 /nfs/dbraw/zinc/23/55/79/1038235579.db2.gz QTFYWOWVPNASBT-CQSZACIVSA-N 1 0 316.405 3.539 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001190528947 1038337780 /nfs/dbraw/zinc/33/77/80/1038337780.db2.gz OPQVZPHOLMXYSS-ROUUACIJSA-N 1 0 318.417 3.763 20 5 DHBDRO C[C@@H](C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001190809489 1038378712 /nfs/dbraw/zinc/37/87/12/1038378712.db2.gz KFUMGFAGFXZAIV-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO C[C@@H](CF)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000588930247 1038407002 /nfs/dbraw/zinc/40/70/02/1038407002.db2.gz BNKMWZHYHCVPMH-NSHDSACASA-N 1 0 322.311 3.974 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc2ccccc2[nH]1 ZINC000589184924 1038445024 /nfs/dbraw/zinc/44/50/24/1038445024.db2.gz ASNLSLBNRWTEKM-UHFFFAOYSA-N 1 0 309.369 3.751 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000589192462 1038447576 /nfs/dbraw/zinc/44/75/76/1038447576.db2.gz CAXXHQPQAZVGGY-SVEBXFOSSA-N 1 0 309.369 3.840 20 5 DHBDRO C[C@H](C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C ZINC000589210467 1038451413 /nfs/dbraw/zinc/45/14/13/1038451413.db2.gz FWMYUQXRHDXECI-GFCCVEGCSA-N 1 0 303.406 3.890 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000590067875 1038583187 /nfs/dbraw/zinc/58/31/87/1038583187.db2.gz WDXADWRRNJQFRQ-CTYIDZIISA-N 1 0 318.323 3.909 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CC[C@@H]2CC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000598680032 1038820016 /nfs/dbraw/zinc/82/00/16/1038820016.db2.gz RAIZOLWSSUPSBW-QMTHXVAHSA-N 1 0 310.344 3.952 20 5 DHBDRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593621600 1038885943 /nfs/dbraw/zinc/88/59/43/1038885943.db2.gz OQKCZFVAWRTRMC-ZBFHGGJFSA-N 1 0 302.378 3.530 20 5 DHBDRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593622919 1038886360 /nfs/dbraw/zinc/88/63/60/1038886360.db2.gz ZQZMVWICJJZWBG-AAEUAGOBSA-N 1 0 302.378 3.530 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC=CO2)o1 ZINC000780570164 1038923831 /nfs/dbraw/zinc/92/38/31/1038923831.db2.gz KXIJLSJUNAGRRI-ZDUSSCGKSA-N 1 0 314.341 3.637 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cccc3n[nH]cc32)cc1 ZINC000598966261 1038960464 /nfs/dbraw/zinc/96/04/64/1038960464.db2.gz TXWRFEADEAHHDW-UHFFFAOYSA-N 1 0 324.384 3.584 20 5 DHBDRO CCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OCC ZINC000598989516 1038966632 /nfs/dbraw/zinc/96/66/32/1038966632.db2.gz KKVBAKQDCNTSLG-CYBMUJFWSA-N 1 0 300.786 3.543 20 5 DHBDRO CC(C)OC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598986065 1038966655 /nfs/dbraw/zinc/96/66/55/1038966655.db2.gz FQXMJJAQZCBJNO-UHFFFAOYSA-N 1 0 310.369 3.560 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000061115441 1038982948 /nfs/dbraw/zinc/98/29/48/1038982948.db2.gz LQJIBISXWFYFGW-UHFFFAOYSA-N 1 0 310.806 3.950 20 5 DHBDRO CC[C@H](OCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000593663793 1038994066 /nfs/dbraw/zinc/99/40/66/1038994066.db2.gz ASPXXSDNKLXCJU-HNNXBMFYSA-N 1 0 320.414 3.914 20 5 DHBDRO CC[NH+](CC)CCSc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599051585 1039006674 /nfs/dbraw/zinc/00/66/74/1039006674.db2.gz IWHYBUDBLAZXTB-UHFFFAOYSA-N 1 0 305.403 3.577 20 5 DHBDRO CCC(CC)[C@@H](CNCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000603633402 1039093660 /nfs/dbraw/zinc/09/36/60/1039093660.db2.gz CESXEYBPYZKFKC-GOSISDBHSA-N 1 0 319.449 3.585 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000593714943 1039095188 /nfs/dbraw/zinc/09/51/88/1039095188.db2.gz CQAGBMIEPNOKIT-FZKQIMNGSA-N 1 0 318.417 3.759 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccccc3F)CCC2)c1 ZINC000592144174 1039138550 /nfs/dbraw/zinc/13/85/50/1039138550.db2.gz ADXKICAFKGGSGX-UHFFFAOYSA-N 1 0 300.333 3.903 20 5 DHBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(F)F ZINC000592372839 1039170090 /nfs/dbraw/zinc/17/00/90/1039170090.db2.gz UUTPBDPLBHQICR-MRVPVSSYSA-N 1 0 324.274 3.577 20 5 DHBDRO Cc1cc(NCCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000603860431 1039180982 /nfs/dbraw/zinc/18/09/82/1039180982.db2.gz JTGVXQCFSHSPLK-UHFFFAOYSA-N 1 0 305.422 3.827 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000603853981 1039188687 /nfs/dbraw/zinc/18/86/87/1039188687.db2.gz OGEYGGJBRFSKNK-CQSZACIVSA-N 1 0 320.418 3.546 20 5 DHBDRO C[C@@H](c1ccccc1F)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000603855203 1039189944 /nfs/dbraw/zinc/18/99/44/1039189944.db2.gz OEBFTXZKDVEMIK-ZDUSSCGKSA-N 1 0 318.348 3.806 20 5 DHBDRO COc1ccc([C@H](C)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000603871973 1039206429 /nfs/dbraw/zinc/20/64/29/1039206429.db2.gz CQGLKHJLDFWNBL-AWEZNQCLSA-N 1 0 314.385 3.839 20 5 DHBDRO C[C@H]1CC(F)(F)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599623229 1039228141 /nfs/dbraw/zinc/22/81/41/1039228141.db2.gz MXNKTSWLUVYLJF-VIFPVBQESA-N 1 0 304.724 3.868 20 5 DHBDRO C[C@H](C1CC1)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000604012344 1039279848 /nfs/dbraw/zinc/27/98/48/1039279848.db2.gz YSACRBOKQFKNOT-CYBMUJFWSA-N 1 0 304.390 3.627 20 5 DHBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000604012487 1039280203 /nfs/dbraw/zinc/28/02/03/1039280203.db2.gz OVMYODXKISABHT-UHFFFAOYSA-N 1 0 318.348 3.635 20 5 DHBDRO CC[N@H+](CCNc1c(C)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000574212422 1039419985 /nfs/dbraw/zinc/41/99/85/1039419985.db2.gz LSWDCLNHBJIPRP-UHFFFAOYSA-N 1 0 319.327 3.589 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000592398076 1039445594 /nfs/dbraw/zinc/44/55/94/1039445594.db2.gz HVBOIYKIANGCBC-LKTVYLICSA-N 1 0 306.431 3.801 20 5 DHBDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000604419168 1039473053 /nfs/dbraw/zinc/47/30/53/1039473053.db2.gz YYOIITBPVLBTDH-HNNXBMFYSA-N 1 0 314.385 3.769 20 5 DHBDRO CCc1ccc([C@H](CNc2ccsc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000604433147 1039474580 /nfs/dbraw/zinc/47/45/80/1039474580.db2.gz YVFNWBMKFXUXKM-HNNXBMFYSA-N 1 0 319.430 3.934 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000604473343 1039480790 /nfs/dbraw/zinc/48/07/90/1039480790.db2.gz WSYVNZCMJQSTLH-KRWDZBQOSA-N 1 0 304.390 3.628 20 5 DHBDRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593621571 1039569571 /nfs/dbraw/zinc/56/95/71/1039569571.db2.gz OQKCZFVAWRTRMC-GDBMZVCRSA-N 1 0 302.378 3.530 20 5 DHBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594498899 1039801626 /nfs/dbraw/zinc/80/16/26/1039801626.db2.gz NAUMAAFUBYRBAW-DOTOQJQBSA-N 1 0 318.417 3.767 20 5 DHBDRO COC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000594502867 1039802803 /nfs/dbraw/zinc/80/28/03/1039802803.db2.gz RVJTZKRYJBXZJD-DLBZAZTESA-N 1 0 312.369 3.559 20 5 DHBDRO COc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])ccc1C ZINC000594502013 1039803112 /nfs/dbraw/zinc/80/31/12/1039803112.db2.gz BCWPRHGJBIDRRV-INIZCTEOSA-N 1 0 312.369 3.689 20 5 DHBDRO COc1c(C)cccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594510058 1039813392 /nfs/dbraw/zinc/81/33/92/1039813392.db2.gz NZHPQICRYQUBDT-MRXNPFEDSA-N 1 0 312.369 3.689 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)c(Cl)c1 ZINC000594523135 1039830703 /nfs/dbraw/zinc/83/07/03/1039830703.db2.gz OAEUGVMVGZAHNE-CQSZACIVSA-N 1 0 324.808 3.830 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594612900 1039874010 /nfs/dbraw/zinc/87/40/10/1039874010.db2.gz OUBJFSDCZQVKRV-DANOYGIBSA-N 1 0 316.401 3.642 20 5 DHBDRO CS[C@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230698575 1039957645 /nfs/dbraw/zinc/95/76/45/1039957645.db2.gz DUJLLAJBSXTFMS-JQWIXIFHSA-N 1 0 300.811 3.622 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000595023486 1039986228 /nfs/dbraw/zinc/98/62/28/1039986228.db2.gz ZJJWQKUCJUHAEI-ABAIWWIYSA-N 1 0 310.419 3.540 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000594991233 1040005693 /nfs/dbraw/zinc/00/56/93/1040005693.db2.gz GNYBJPAVARBSFS-OIOXUXFSSA-N 1 0 310.344 3.879 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594041520 1040008932 /nfs/dbraw/zinc/00/89/32/1040008932.db2.gz DYQZKULXDAXBBR-HIFRSBDPSA-N 1 0 312.797 3.686 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000595007392 1040017017 /nfs/dbraw/zinc/01/70/17/1040017017.db2.gz ILSDLHRYOKAHQA-SCRDCRAPSA-N 1 0 324.446 3.928 20 5 DHBDRO COC1CC(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595047683 1040046837 /nfs/dbraw/zinc/04/68/37/1040046837.db2.gz FDNPMTXYAYOGDS-AUCFXJAVSA-N 1 0 318.417 3.767 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC2(SCC)CC2)cc1[N+](=O)[O-] ZINC000595100230 1040065414 /nfs/dbraw/zinc/06/54/14/1040065414.db2.gz PYXVYONBTGXKMX-LBPRGKRZSA-N 1 0 324.446 3.930 20 5 DHBDRO COc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1C ZINC000595101034 1040065462 /nfs/dbraw/zinc/06/54/62/1040065462.db2.gz ALHWLOUWRKIFHF-MRXNPFEDSA-N 1 0 312.369 3.689 20 5 DHBDRO CC(C)(C)OCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595075896 1040070008 /nfs/dbraw/zinc/07/00/08/1040070008.db2.gz DKJQRPYHIVWPGN-MRXNPFEDSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@]1(C)CC1(F)F ZINC000595079525 1040071899 /nfs/dbraw/zinc/07/18/99/1040071899.db2.gz FKGUSHSSMXVHRK-DOMZBBRYSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@]1(C)CC1(F)F ZINC000595079527 1040073633 /nfs/dbraw/zinc/07/36/33/1040073633.db2.gz FKGUSHSSMXVHRK-SWLSCSKDSA-N 1 0 312.360 3.941 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000595088906 1040075006 /nfs/dbraw/zinc/07/50/06/1040075006.db2.gz LQGXRPLTFZJYML-SJKOYZFVSA-N 1 0 312.369 3.947 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000595082005 1040077046 /nfs/dbraw/zinc/07/70/46/1040077046.db2.gz WAJRHNPZICDGLB-HZMBPMFUSA-N 1 0 314.332 3.689 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000595092816 1040078854 /nfs/dbraw/zinc/07/88/54/1040078854.db2.gz XDSFYBVKFBRZTK-YVEFUNNKSA-N 1 0 312.369 3.947 20 5 DHBDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595409754 1040130257 /nfs/dbraw/zinc/13/02/57/1040130257.db2.gz GZBJZKIPCPQELD-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C(C)C)C2CCCC2)c1 ZINC000593016183 1040130305 /nfs/dbraw/zinc/13/03/05/1040130305.db2.gz KEEJLGNBEOJQAZ-UHFFFAOYSA-N 1 0 320.389 3.534 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595409253 1040131466 /nfs/dbraw/zinc/13/14/66/1040131466.db2.gz COHXHBXRTIDION-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO Cc1noc(CN2C[C@H](C)CC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595482097 1040139416 /nfs/dbraw/zinc/13/94/16/1040139416.db2.gz HMOBUXUOCJMIAR-DOMZBBRYSA-N 1 0 315.373 3.864 20 5 DHBDRO CC[C@H](C)[N@H+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595600871 1040201806 /nfs/dbraw/zinc/20/18/06/1040201806.db2.gz QGQMOKNWAUDFRC-LBPRGKRZSA-N 1 0 303.362 3.870 20 5 DHBDRO Cc1cc(NC[C@@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596074833 1040301220 /nfs/dbraw/zinc/30/12/20/1040301220.db2.gz HGLPNNJJYGINKH-LBPRGKRZSA-N 1 0 311.432 3.741 20 5 DHBDRO Cc1cc(N[C@H]2CN(C)Cc3ccccc32)c([N+](=O)[O-])s1 ZINC000596174468 1040335354 /nfs/dbraw/zinc/33/53/54/1040335354.db2.gz BDROJHGGOJCJJF-AWEZNQCLSA-N 1 0 303.387 3.563 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000596650450 1040539579 /nfs/dbraw/zinc/53/95/79/1040539579.db2.gz JCTATWGIFSBRKM-SJKOYZFVSA-N 1 0 311.385 3.824 20 5 DHBDRO Cc1ccc([C@@H](CNc2ccsc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000608779151 1040611742 /nfs/dbraw/zinc/61/17/42/1040611742.db2.gz ZDTCWDZPENFMKA-CYBMUJFWSA-N 1 0 321.402 3.807 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000608836589 1040624961 /nfs/dbraw/zinc/62/49/61/1040624961.db2.gz WKCFQLIQPLRARY-MRXNPFEDSA-N 1 0 316.357 3.752 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174350075 1040629944 /nfs/dbraw/zinc/62/99/44/1040629944.db2.gz GIGGLRIVAARAGA-KGLIPLIRSA-N 1 0 312.410 3.840 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593319078 1040717607 /nfs/dbraw/zinc/71/76/07/1040717607.db2.gz JERLWDWDHSPJOM-RDJZCZTQSA-N 1 0 311.385 3.672 20 5 DHBDRO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000122129030 1040983976 /nfs/dbraw/zinc/98/39/76/1040983976.db2.gz BYCBXEDJYIXQOZ-GJZGRUSLSA-N 1 0 305.422 3.510 20 5 DHBDRO CCOCCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602523027 1041067775 /nfs/dbraw/zinc/06/77/75/1041067775.db2.gz YNTVQDIAQFDVAP-UHFFFAOYSA-N 1 0 320.311 3.520 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCCSC1 ZINC000602564522 1041096099 /nfs/dbraw/zinc/09/60/99/1041096099.db2.gz ACIMEVJLKFRHKM-LLVKDONJSA-N 1 0 320.336 3.599 20 5 DHBDRO CSC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000602725009 1041180167 /nfs/dbraw/zinc/18/01/67/1041180167.db2.gz HCKKRMBKNPPYKA-JLHYYAGUSA-N 1 0 306.431 3.826 20 5 DHBDRO Cc1cc(C)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000602838726 1041253600 /nfs/dbraw/zinc/25/36/00/1041253600.db2.gz HHPROHJICKQRDK-UHFFFAOYSA-N 1 0 313.401 3.940 20 5 DHBDRO CC[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000072865138 191245376 /nfs/dbraw/zinc/24/53/76/191245376.db2.gz GOXFICAFBCAHNO-MRXNPFEDSA-N 1 0 319.430 3.817 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC000272812460 130065549 /nfs/dbraw/zinc/06/55/49/130065549.db2.gz BYTYZGOKOMUDQD-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000273092062 130089607 /nfs/dbraw/zinc/08/96/07/130089607.db2.gz SSEKKEOUTOBUJF-VXGBXAGGSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H]1C[C@H](CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000273092059 130089686 /nfs/dbraw/zinc/08/96/86/130089686.db2.gz SSEKKEOUTOBUJF-NWDGAFQWSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1cncc([C@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000274338663 130226959 /nfs/dbraw/zinc/22/69/59/130226959.db2.gz AIPAGXIGGLMAPL-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCC(F)(F)F)CCC2 ZINC000278837231 130721420 /nfs/dbraw/zinc/72/14/20/130721420.db2.gz UNRGZKGWERTTAV-CYBMUJFWSA-N 1 0 302.296 3.904 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285228041 131149308 /nfs/dbraw/zinc/14/93/08/131149308.db2.gz PCUUHKFLHINMCH-MGPLVRAMSA-N 1 0 315.348 3.654 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000287013562 131260012 /nfs/dbraw/zinc/26/00/12/131260012.db2.gz PSJXTCOUDZSWDL-ZDUSSCGKSA-N 1 0 321.421 3.720 20 5 DHBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000287438284 131280819 /nfs/dbraw/zinc/28/08/19/131280819.db2.gz KXDNEGYESQOVQN-PBFPGSCMSA-N 1 0 318.417 3.579 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289270988 131369987 /nfs/dbraw/zinc/36/99/87/131369987.db2.gz FCLGLZJVALHXAN-CQSZACIVSA-N 1 0 309.369 3.840 20 5 DHBDRO CCC(CC)[N@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289372237 131379913 /nfs/dbraw/zinc/37/99/13/131379913.db2.gz IIZPESMMAKYEGT-UHFFFAOYSA-N 1 0 318.377 3.655 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289484383 131389595 /nfs/dbraw/zinc/38/95/95/131389595.db2.gz IOROJLZPPYOOGI-XYPHTWIQSA-N 1 0 316.401 3.689 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000290249342 131469305 /nfs/dbraw/zinc/46/93/05/131469305.db2.gz JSUHKVGKYDCDCT-PMUMKWKESA-N 1 0 314.385 3.676 20 5 DHBDRO CC(C)(CO)[C@H](NCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000340564303 132006883 /nfs/dbraw/zinc/00/68/83/132006883.db2.gz ZBUQXMUDCKLFSD-OAHLLOKOSA-N 1 0 320.414 3.506 20 5 DHBDRO CCS[C@H]1CCCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000353610003 132111601 /nfs/dbraw/zinc/11/16/01/132111601.db2.gz VKJFIXPGKPLQCK-LBPRGKRZSA-N 1 0 300.449 3.764 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163894845 132125781 /nfs/dbraw/zinc/12/57/81/132125781.db2.gz OXIRFKVUYYGCJG-BLLLJJGKSA-N 1 0 302.378 3.520 20 5 DHBDRO CC(C)(C)[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000121690054 132156820 /nfs/dbraw/zinc/15/68/20/132156820.db2.gz RFEAPPVIBIGULQ-UHFFFAOYSA-N 1 0 313.348 3.548 20 5 DHBDRO C[C@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000525875381 335089467 /nfs/dbraw/zinc/08/94/67/335089467.db2.gz SQFZUANEBWTQIU-CYBMUJFWSA-N 1 0 314.360 3.896 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000035257717 331491442 /nfs/dbraw/zinc/49/14/42/331491442.db2.gz JHGZWZLYRUZUSC-NEPJUHHUSA-N 1 0 302.296 3.806 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000323050721 331595267 /nfs/dbraw/zinc/59/52/67/331595267.db2.gz GWPHPVRTXMNCFU-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000079723999 331682985 /nfs/dbraw/zinc/68/29/85/331682985.db2.gz LBVJMYWINLFQPS-NWDGAFQWSA-N 1 0 315.329 3.915 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000556507395 331709976 /nfs/dbraw/zinc/70/99/76/331709976.db2.gz AIIKOXSQVMAMJA-UHFFFAOYSA-N 1 0 316.323 3.802 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C2CC(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000558295249 331894080 /nfs/dbraw/zinc/89/40/80/331894080.db2.gz RIDCTSBVJBYPLA-WHXUTIOJSA-N 1 0 302.296 3.895 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000518280440 332006151 /nfs/dbraw/zinc/00/61/51/332006151.db2.gz OHCQRIOOOLTKQV-UHFFFAOYSA-N 1 0 321.380 3.784 20 5 DHBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000409859342 332060030 /nfs/dbraw/zinc/06/00/30/332060030.db2.gz RSTCHIJRUGOQOB-UHFFFAOYSA-N 1 0 319.405 3.578 20 5 DHBDRO Cc1ccc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000363679207 332218051 /nfs/dbraw/zinc/21/80/51/332218051.db2.gz VSVPEZKEVATCPI-UHFFFAOYSA-N 1 0 311.385 3.678 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000555878328 332266130 /nfs/dbraw/zinc/26/61/30/332266130.db2.gz JBVCTGHHMZUYEC-CQSZACIVSA-N 1 0 309.369 3.840 20 5 DHBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000559842191 332284537 /nfs/dbraw/zinc/28/45/37/332284537.db2.gz RHJZSIRKVDSYNU-JSGCOSHPSA-N 1 0 316.405 3.920 20 5 DHBDRO CCC1CC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000560237029 332321491 /nfs/dbraw/zinc/32/14/91/332321491.db2.gz ZNCMRUASOPURNQ-UHFFFAOYSA-N 1 0 302.296 3.892 20 5 DHBDRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963714 332331414 /nfs/dbraw/zinc/33/14/14/332331414.db2.gz HUIIXFKFMLOSCH-LLVKDONJSA-N 1 0 308.765 3.952 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000560556570 332359591 /nfs/dbraw/zinc/35/95/91/332359591.db2.gz OKGIVBPODPGGQS-KOMQPUFPSA-N 1 0 300.333 3.770 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000562212113 332559262 /nfs/dbraw/zinc/55/92/62/332559262.db2.gz RHPPBFXAGMKCMZ-INIZCTEOSA-N 1 0 308.422 3.605 20 5 DHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCC3(CC3)CC2)n1 ZINC000574897123 332665119 /nfs/dbraw/zinc/66/51/19/332665119.db2.gz MPZWTGPAMJVLJC-LSDHHAIUSA-N 1 0 318.421 3.587 20 5 DHBDRO Cc1nc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)sc1C ZINC000179242149 333024988 /nfs/dbraw/zinc/02/49/88/333024988.db2.gz VITHLKYRGKUSGY-UHFFFAOYSA-N 1 0 317.414 3.833 20 5 DHBDRO C[C@@H](NCC1([NH+](C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000314122311 333088302 /nfs/dbraw/zinc/08/83/02/333088302.db2.gz PMFVKAXTQJMFMV-CQSZACIVSA-N 1 0 305.422 3.510 20 5 DHBDRO CC[C@H](C)[C@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183033247 333182471 /nfs/dbraw/zinc/18/24/71/333182471.db2.gz DCJBHYVBRUTNEP-STQMWFEESA-N 1 0 317.389 3.817 20 5 DHBDRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183033211 333182472 /nfs/dbraw/zinc/18/24/72/333182472.db2.gz DCJBHYVBRUTNEP-QWHCGFSZSA-N 1 0 317.389 3.817 20 5 DHBDRO CCOc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119702191 333256923 /nfs/dbraw/zinc/25/69/23/333256923.db2.gz UGZLAKLPSLUGIJ-ZDUSSCGKSA-N 1 0 300.358 3.844 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC(c3cccc(F)c3)C2)cc1 ZINC000390736177 333321917 /nfs/dbraw/zinc/32/19/17/333321917.db2.gz SAGPOCYZNLHIPB-UHFFFAOYSA-N 1 0 314.360 3.812 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000531213772 333335385 /nfs/dbraw/zinc/33/53/85/333335385.db2.gz PUQLCGYUUGNVOZ-ZJNRKIDTSA-N 1 0 312.369 3.638 20 5 DHBDRO CCC[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000442806286 335134564 /nfs/dbraw/zinc/13/45/64/335134564.db2.gz BPLUKZINUUTXMR-IKGGRYGDSA-N 1 0 306.406 3.983 20 5 DHBDRO CCO[C@H](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000565315853 333345190 /nfs/dbraw/zinc/34/51/90/333345190.db2.gz ZVCHKLGJYFMVCG-DOTOQJQBSA-N 1 0 306.406 3.623 20 5 DHBDRO CCCC(O)(CCC)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531713250 333549477 /nfs/dbraw/zinc/54/94/77/333549477.db2.gz WTHAPETWRQLTNI-AWEZNQCLSA-N 1 0 308.422 3.885 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(C(F)(F)F)CC1 ZINC000571224925 333685260 /nfs/dbraw/zinc/68/52/60/333685260.db2.gz OIDPPQXRFGVQJJ-NSHDSACASA-N 1 0 300.280 3.514 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000411898513 333713105 /nfs/dbraw/zinc/71/31/05/333713105.db2.gz ZSTCWCUFIBLJJW-MRXNPFEDSA-N 1 0 300.358 3.844 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000414180180 333909458 /nfs/dbraw/zinc/90/94/58/333909458.db2.gz LASCXDXQPVFPME-SWLSCSKDSA-N 1 0 321.421 3.726 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000414230728 333926625 /nfs/dbraw/zinc/92/66/25/333926625.db2.gz GOMVBKCRIKNXQG-UUWFMWQGSA-N 1 0 318.417 3.765 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000414234313 333927759 /nfs/dbraw/zinc/92/77/59/333927759.db2.gz IYFKXLDAYTZKBL-IGCXYCKISA-N 1 0 306.406 3.757 20 5 DHBDRO COCC1CCC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000414311047 333937264 /nfs/dbraw/zinc/93/72/64/333937264.db2.gz LZAZAEDUEBFOAG-HPUBIQBYSA-N 1 0 320.433 3.711 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000268969288 333996639 /nfs/dbraw/zinc/99/66/39/333996639.db2.gz HYTCKYOOALAYHR-BLLLJJGKSA-N 1 0 320.414 3.523 20 5 DHBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414497584 333998333 /nfs/dbraw/zinc/99/83/33/333998333.db2.gz UBCNFXOCZIADTO-CUXJHESGSA-N 1 0 324.380 3.510 20 5 DHBDRO C[C@H](c1cccc(O)c1)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276365620 334076181 /nfs/dbraw/zinc/07/61/81/334076181.db2.gz ZXHLNSUKVKYZLY-LLVKDONJSA-N 1 0 304.321 3.633 20 5 DHBDRO CC[NH2+]Cc1ccccc1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414872961 334143677 /nfs/dbraw/zinc/14/36/77/334143677.db2.gz WJUCJOVEGKQQFR-UHFFFAOYSA-N 1 0 319.792 3.970 20 5 DHBDRO Cc1cc(N)cc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000414972358 334220212 /nfs/dbraw/zinc/22/02/12/334220212.db2.gz XSDLBNBZXHOCJN-AWEZNQCLSA-N 1 0 313.401 3.596 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187858256 334287614 /nfs/dbraw/zinc/28/76/14/334287614.db2.gz HOOMGJVBUYTCNC-OCCSQVGLSA-N 1 0 322.405 3.602 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000048765145 334296050 /nfs/dbraw/zinc/29/60/50/334296050.db2.gz CXWRELHHKIGIDX-UHFFFAOYSA-N 1 0 304.777 3.623 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000303839562 334336007 /nfs/dbraw/zinc/33/60/07/334336007.db2.gz BKDRJSZLMJEOOS-UHFFFAOYSA-N 1 0 304.390 3.760 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccc(F)c2)c(Cl)c1 ZINC000049963406 334359704 /nfs/dbraw/zinc/35/97/04/334359704.db2.gz FRXDVYYOLOOACE-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO Cc1c(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000342304634 334526787 /nfs/dbraw/zinc/52/67/87/334526787.db2.gz QGAGBBOMZYBBJQ-MRXNPFEDSA-N 1 0 316.405 3.514 20 5 DHBDRO CCC[C@](C)(O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307809 334704676 /nfs/dbraw/zinc/70/46/76/334704676.db2.gz HJFDVDZUQAORMK-IRXDYDNUSA-N 1 0 306.406 3.503 20 5 DHBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417345371 334706058 /nfs/dbraw/zinc/70/60/58/334706058.db2.gz UEQMAHGNYXVKKJ-SKDZVZGDSA-N 1 0 318.417 3.910 20 5 DHBDRO C[C@@H]([NH2+][C@H](CO)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417374317 334765260 /nfs/dbraw/zinc/76/52/60/334765260.db2.gz XZFGPYRRTAZRPP-CJNGLKHVSA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000344091354 335217254 /nfs/dbraw/zinc/21/72/54/335217254.db2.gz DKZMNJOXKODLTO-GOSISDBHSA-N 1 0 314.360 3.944 20 5 DHBDRO CCC(CC)[C@H](CC[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000344832296 335278992 /nfs/dbraw/zinc/27/89/92/335278992.db2.gz VMURTJRLBIJCHB-ZDUSSCGKSA-N 1 0 300.424 3.587 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(C)c(C)s1 ZINC000344982982 335292965 /nfs/dbraw/zinc/29/29/65/335292965.db2.gz PNYWFNDPOSJDKI-YRNVUSSQSA-N 1 0 317.414 3.861 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000158085462 338476489 /nfs/dbraw/zinc/47/64/89/338476489.db2.gz VCOLJCDWVWFFFJ-HOTGVXAUSA-N 1 0 308.422 3.823 20 5 DHBDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000345696625 335342694 /nfs/dbraw/zinc/34/26/94/335342694.db2.gz VZTMCMWOECJBGY-YVEFUNNKSA-N 1 0 318.348 3.600 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000520663313 336003486 /nfs/dbraw/zinc/00/34/86/336003486.db2.gz DWDKSBDWWDKHGG-SWLSCSKDSA-N 1 0 321.421 3.645 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000480667073 336122128 /nfs/dbraw/zinc/12/21/28/336122128.db2.gz QVDVADOSLSCJNQ-ZJUUUORDSA-N 1 0 320.311 3.843 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CS1 ZINC000331645782 336143387 /nfs/dbraw/zinc/14/33/87/336143387.db2.gz UMZIWPNQKCRHAV-HFAKWTLXSA-N 1 0 306.431 3.801 20 5 DHBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332210068 336162775 /nfs/dbraw/zinc/16/27/75/336162775.db2.gz VMIOCNYWMFDBAP-DGCLKSJQSA-N 1 0 302.378 3.530 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1F)CCC2 ZINC000192597923 336178395 /nfs/dbraw/zinc/17/83/95/336178395.db2.gz VYQHLUVAMLCDIC-QGZVFWFLSA-N 1 0 300.333 3.901 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2ncccc2c1 ZINC000352570014 336225117 /nfs/dbraw/zinc/22/51/17/336225117.db2.gz AVGPWOLCUIUACH-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCO[C@H](C)C1 ZINC000352717262 336232038 /nfs/dbraw/zinc/23/20/38/336232038.db2.gz HXCSRZLOFNDIBS-ZBFHGGJFSA-N 1 0 306.406 3.620 20 5 DHBDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000532531605 336253935 /nfs/dbraw/zinc/25/39/35/336253935.db2.gz UGSUWUBLQXXTCM-ISTRZQFTSA-N 1 0 306.406 3.757 20 5 DHBDRO COCC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102426377 336287344 /nfs/dbraw/zinc/28/73/44/336287344.db2.gz YEPOASGAGQHYSF-GFCCVEGCSA-N 1 0 320.414 3.838 20 5 DHBDRO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000301061335 336287888 /nfs/dbraw/zinc/28/78/88/336287888.db2.gz FIHNKGKPPRSDDH-SFHVURJKSA-N 1 0 311.385 3.844 20 5 DHBDRO Cc1ccc([C@H](CNc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000301137072 336291741 /nfs/dbraw/zinc/29/17/41/336291741.db2.gz BGWWFIDJUPQREO-INIZCTEOSA-N 1 0 315.373 3.745 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+](C)C ZINC000301185485 336293796 /nfs/dbraw/zinc/29/37/96/336293796.db2.gz PAGDZRLDEJIACM-CYBMUJFWSA-N 1 0 305.403 3.680 20 5 DHBDRO Cc1ccc(NCc2ccc(F)c(C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000301454454 336307926 /nfs/dbraw/zinc/30/79/26/336307926.db2.gz BKKOUFSBWQUARH-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO C[NH+](C)[C@H](CNc1sccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000301919539 336338002 /nfs/dbraw/zinc/33/80/02/336338002.db2.gz CFOYUSAORKBISX-CYBMUJFWSA-N 1 0 309.366 3.510 20 5 DHBDRO Cc1ccc([C@H](CNc2sccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000301977238 336340886 /nfs/dbraw/zinc/34/08/86/336340886.db2.gz DHYSVCQPLCCJRZ-AWEZNQCLSA-N 1 0 305.403 3.680 20 5 DHBDRO C[C@H](CNc1sccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000301995912 336342082 /nfs/dbraw/zinc/34/20/82/336342082.db2.gz PQQOZVCGOLCLMP-SNVBAGLBSA-N 1 0 323.443 3.577 20 5 DHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302067076 336346608 /nfs/dbraw/zinc/34/66/08/336346608.db2.gz WNAAUNNKWOBGDD-CHWSQXEVSA-N 1 0 321.396 3.799 20 5 DHBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000563919752 336383984 /nfs/dbraw/zinc/38/39/84/336383984.db2.gz DLAFPPVQENNGLD-NEPJUHHUSA-N 1 0 320.414 3.836 20 5 DHBDRO CC(C)CCC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000514651270 336391419 /nfs/dbraw/zinc/39/14/19/336391419.db2.gz KTRJIYBABPGAQV-LBPRGKRZSA-N 1 0 304.394 3.776 20 5 DHBDRO CC[C@H]([NH2+]CCCc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000353881049 336445800 /nfs/dbraw/zinc/44/58/00/336445800.db2.gz PLVNJBMOGJIVRL-SFHVURJKSA-N 1 0 313.401 3.972 20 5 DHBDRO C[C@H]([NH2+]CCSCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000354271703 336465140 /nfs/dbraw/zinc/46/51/40/336465140.db2.gz MITDUKIWMYLVET-VIFPVBQESA-N 1 0 308.325 3.541 20 5 DHBDRO CC[C@H]([NH2+]CCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358004855 336605728 /nfs/dbraw/zinc/60/57/28/336605728.db2.gz LIJHSODLOMQTIQ-KRWDZBQOSA-N 1 0 318.348 3.854 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]21 ZINC000374161738 336982702 /nfs/dbraw/zinc/98/27/02/336982702.db2.gz RAJAVWGXNBPQOX-DFBGVHRSSA-N 1 0 324.808 3.541 20 5 DHBDRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375395218 337010336 /nfs/dbraw/zinc/01/03/36/337010336.db2.gz XBRYYSORHFZSSK-RDJZCZTQSA-N 1 0 314.389 3.580 20 5 DHBDRO C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000375635266 337015250 /nfs/dbraw/zinc/01/52/50/337015250.db2.gz BOLPBWKOAWJCMX-CQSZACIVSA-N 1 0 311.385 3.762 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000376342289 337031752 /nfs/dbraw/zinc/03/17/52/337031752.db2.gz WYHBZVCZAFDJEV-GOEBONIOSA-N 1 0 318.417 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000377406057 337052086 /nfs/dbraw/zinc/05/20/86/337052086.db2.gz XVRUCQUXOLYKES-QZTJIDSGSA-N 1 0 312.369 3.605 20 5 DHBDRO C[N@H+]1CC=C(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000392890370 337079720 /nfs/dbraw/zinc/07/97/20/337079720.db2.gz NMTPHXPMOUTETI-UHFFFAOYSA-N 1 0 316.188 3.575 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000177225717 337154836 /nfs/dbraw/zinc/15/48/36/337154836.db2.gz LISVWZHPPHLPJE-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2)c1 ZINC000180549632 337176275 /nfs/dbraw/zinc/17/62/75/337176275.db2.gz CUZBOPHFBIEPQH-AKHDSKFASA-N 1 0 324.380 3.594 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000582877416 337209689 /nfs/dbraw/zinc/20/96/89/337209689.db2.gz OBLWUTPFODPYFW-RPHSKFLZSA-N 1 0 310.344 3.975 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000583173589 337253519 /nfs/dbraw/zinc/25/35/19/337253519.db2.gz GJZLDRGAMNEGHY-GJZGRUSLSA-N 1 0 307.438 3.674 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000321303894 337255830 /nfs/dbraw/zinc/25/58/30/337255830.db2.gz NCPGXAHHPSYLRK-CZUORRHYSA-N 1 0 312.369 3.558 20 5 DHBDRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584665332 337380134 /nfs/dbraw/zinc/38/01/34/337380134.db2.gz IUBXEMXSEFNGMA-XHDPSFHLSA-N 1 0 302.399 3.864 20 5 DHBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420272214 337498128 /nfs/dbraw/zinc/49/81/28/337498128.db2.gz DFCSTPBIMWETPB-ZJUUUORDSA-N 1 0 317.311 3.543 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000421198027 337524631 /nfs/dbraw/zinc/52/46/31/337524631.db2.gz IIVMZFWBRRJVLO-OCCSQVGLSA-N 1 0 306.431 3.779 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@H](C3CC3)C1)CCC2 ZINC000248752649 337567259 /nfs/dbraw/zinc/56/72/59/337567259.db2.gz CEWBIVREJRSYPX-BMGDILEWSA-N 1 0 316.401 3.519 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C12CCC2 ZINC000571895864 337581279 /nfs/dbraw/zinc/58/12/79/337581279.db2.gz XFYGHCYMZAFUKN-BHYGNILZSA-N 1 0 316.401 3.519 20 5 DHBDRO COc1ccccc1CC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000105495137 337808570 /nfs/dbraw/zinc/80/85/70/337808570.db2.gz WQZGTGMRKCJDCZ-UHFFFAOYSA-N 1 0 314.385 3.714 20 5 DHBDRO C[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000120477190 337876651 /nfs/dbraw/zinc/87/66/51/337876651.db2.gz QANTXMCKICLUHI-DYVFJYSZSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000120477362 337876708 /nfs/dbraw/zinc/87/67/08/337876708.db2.gz QANTXMCKICLUHI-SUMWQHHRSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122131640 337908461 /nfs/dbraw/zinc/90/84/61/337908461.db2.gz DFOBAJVBYGWPIH-KSSFIOAISA-N 1 0 313.401 3.548 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC12CCSCC2 ZINC000516088219 338004252 /nfs/dbraw/zinc/00/42/52/338004252.db2.gz KBPYUFIKRJKQKI-IUODEOHRSA-N 1 0 318.442 3.705 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H]1C(F)F ZINC000516190660 338006432 /nfs/dbraw/zinc/00/64/32/338006432.db2.gz CYEHVOSVKOKPJV-DCAQKATOSA-N 1 0 316.373 3.709 20 5 DHBDRO CCCc1nc(C)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000428963529 338066996 /nfs/dbraw/zinc/06/69/96/338066996.db2.gz DBTKQMPATFFMOQ-UHFFFAOYSA-N 1 0 317.389 3.518 20 5 DHBDRO Cc1nc2ccccn2c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429227894 338073964 /nfs/dbraw/zinc/07/39/64/338073964.db2.gz ASWLAWUSPKODIX-UHFFFAOYSA-N 1 0 324.384 3.576 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CSC)C2)ccc1[N+](=O)[O-] ZINC000429290432 338076538 /nfs/dbraw/zinc/07/65/38/338076538.db2.gz GAHRSZYXGAJRFN-CQSZACIVSA-N 1 0 324.446 3.569 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000429414437 338080136 /nfs/dbraw/zinc/08/01/36/338080136.db2.gz XZBVZMOKQJLFNR-WBMJQRKESA-N 1 0 304.390 3.977 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccncc2)CC1 ZINC000429585429 338085347 /nfs/dbraw/zinc/08/53/47/338085347.db2.gz RIWMMGHFCNNSSU-CQSZACIVSA-N 1 0 311.385 3.930 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000430226086 338102206 /nfs/dbraw/zinc/10/22/06/338102206.db2.gz ZWXVLZOUUQBMNK-SFHVURJKSA-N 1 0 312.369 3.844 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC1CC1)CC1CCC1 ZINC000430236473 338102614 /nfs/dbraw/zinc/10/26/14/338102614.db2.gz BDEBAVVLUWOTRL-UHFFFAOYSA-N 1 0 304.390 3.616 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)CCC2 ZINC000430749371 338113566 /nfs/dbraw/zinc/11/35/66/338113566.db2.gz VKLIZZDWZUGFOQ-XHDPSFHLSA-N 1 0 310.344 3.997 20 5 DHBDRO CO[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000433291688 338189599 /nfs/dbraw/zinc/18/95/99/338189599.db2.gz VCWYTBJIDAVQFY-HOTGVXAUSA-N 1 0 306.406 3.578 20 5 DHBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOc1ccccc1 ZINC000434991445 338229117 /nfs/dbraw/zinc/22/91/17/338229117.db2.gz MPSNZVYHSNCVTR-VQHVLOKHSA-N 1 0 312.369 3.619 20 5 DHBDRO Cc1cnc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000435589566 338243005 /nfs/dbraw/zinc/24/30/05/338243005.db2.gz SZBNKSSUYQZXRK-HNNXBMFYSA-N 1 0 318.421 3.507 20 5 DHBDRO CC(C)C(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437109335 338301472 /nfs/dbraw/zinc/30/14/72/338301472.db2.gz RCPNXCBCVMCQFN-ZDUSSCGKSA-N 1 0 321.421 3.584 20 5 DHBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000439127826 338361831 /nfs/dbraw/zinc/36/18/31/338361831.db2.gz LFZZKPRNANRYLU-YVEFUNNKSA-N 1 0 317.364 3.837 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000441215895 338405605 /nfs/dbraw/zinc/40/56/05/338405605.db2.gz BGAIUOWVYWNYNA-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO CCO[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000194461938 338532364 /nfs/dbraw/zinc/53/23/64/338532364.db2.gz NUCCYQVZVURBMN-GOSISDBHSA-N 1 0 314.385 3.771 20 5 DHBDRO CCC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446853256 338538758 /nfs/dbraw/zinc/53/87/58/338538758.db2.gz OQIGAWLROXVHQY-UHFFFAOYSA-N 1 0 302.378 3.530 20 5 DHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)n1 ZINC000447528914 338554289 /nfs/dbraw/zinc/55/42/89/338554289.db2.gz JWYFHAZJKVNPFP-HZPDHXFCSA-N 1 0 320.437 3.835 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000447598657 338561215 /nfs/dbraw/zinc/56/12/15/338561215.db2.gz IMCUFWSIOWHGAY-HZPDHXFCSA-N 1 0 318.417 3.908 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000449329465 338613521 /nfs/dbraw/zinc/61/35/21/338613521.db2.gz OJXNYNIHRMFRAN-VBHSOAQHSA-N 1 0 312.369 3.638 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449349932 338616246 /nfs/dbraw/zinc/61/62/46/338616246.db2.gz SFISQXFHIBRUPG-PQEBFOHHSA-N 1 0 318.417 3.841 20 5 DHBDRO COc1ccccc1CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102232 338721132 /nfs/dbraw/zinc/72/11/32/338721132.db2.gz ILJDTOZPGYLZIF-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO COc1cc(C[NH2+][C@@H]2CCC23CCCC3)c([N+](=O)[O-])cc1F ZINC000451452637 338735109 /nfs/dbraw/zinc/73/51/09/338735109.db2.gz DQIOCWPUYCYIFE-OAHLLOKOSA-N 1 0 308.353 3.555 20 5 DHBDRO C[C@H](CCCc1cccnc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000453114613 338795580 /nfs/dbraw/zinc/79/55/80/338795580.db2.gz GPDDGRVMCXBDDY-OAHLLOKOSA-N 1 0 313.401 3.533 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000453301277 338820908 /nfs/dbraw/zinc/82/09/08/338820908.db2.gz XKRXFPRFIAKEOC-SCRDCRAPSA-N 1 0 312.360 3.939 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000453309914 338822280 /nfs/dbraw/zinc/82/22/80/338822280.db2.gz FCANKWHRSURZQD-CABCVRRESA-N 1 0 318.417 3.903 20 5 DHBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453393635 338837098 /nfs/dbraw/zinc/83/70/98/338837098.db2.gz FLTODYGKUULKQL-BRWVUGGUSA-N 1 0 304.390 3.519 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000195651159 338912433 /nfs/dbraw/zinc/91/24/33/338912433.db2.gz MKMZMNPXCMBPAM-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000459649956 339040331 /nfs/dbraw/zinc/04/03/31/339040331.db2.gz SDJHQQXEOKFGJV-AKAXFMLLSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccccc2F)cc1[N+](=O)[O-] ZINC000459659949 339041221 /nfs/dbraw/zinc/04/12/21/339041221.db2.gz SFVRMODBZXQCSE-GOEBONIOSA-N 1 0 300.333 3.688 20 5 DHBDRO Cc1cc(NCc2csc([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC000459746046 339045837 /nfs/dbraw/zinc/04/58/37/339045837.db2.gz UEWGPOBBVJOWEQ-UHFFFAOYSA-N 1 0 305.403 3.638 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459762358 339046872 /nfs/dbraw/zinc/04/68/72/339046872.db2.gz BMENGKIWSHQHBE-LQJRIPTKSA-N 1 0 314.307 3.892 20 5 DHBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463408268 339116783 /nfs/dbraw/zinc/11/67/83/339116783.db2.gz YLYCZPOUOGMXEL-VBNZEHGJSA-N 1 0 306.406 3.838 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464482908 339143069 /nfs/dbraw/zinc/14/30/69/339143069.db2.gz BIJGWMBBNSXDRA-LBPRGKRZSA-N 1 0 310.369 3.611 20 5 DHBDRO C[C@H](NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000467857774 339247743 /nfs/dbraw/zinc/24/77/43/339247743.db2.gz BSDSPJYRFKJDKU-KKUMJFAQSA-N 1 0 305.422 3.508 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000467858547 339247880 /nfs/dbraw/zinc/24/78/80/339247880.db2.gz JYXSLMGXFRKUSK-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000467975256 339250366 /nfs/dbraw/zinc/25/03/66/339250366.db2.gz OHPLVELNMSYOIY-GOSISDBHSA-N 1 0 310.397 3.748 20 5 DHBDRO C[C@@H](CCCC(F)(F)F)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467992345 339250673 /nfs/dbraw/zinc/25/06/73/339250673.db2.gz CSBNPFKXRQXLSD-NSHDSACASA-N 1 0 304.312 3.848 20 5 DHBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CS1 ZINC000468005569 339251022 /nfs/dbraw/zinc/25/10/22/339251022.db2.gz OXLZTPBYPFMWAB-DZGCQCFKSA-N 1 0 308.447 3.647 20 5 DHBDRO COC1CCC(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000468558632 339266475 /nfs/dbraw/zinc/26/64/75/339266475.db2.gz DJICBEMNASXNRU-UQPPLGOBSA-N 1 0 320.433 3.711 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCS1 ZINC000468612897 339267097 /nfs/dbraw/zinc/26/70/97/339267097.db2.gz SLXZKIUHYYUZQC-RCBBPTIPSA-N 1 0 306.431 3.873 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(F)cc1 ZINC000468634342 339267589 /nfs/dbraw/zinc/26/75/89/339267589.db2.gz CNTYLJYPSRFLQK-KAMYIIQDSA-N 1 0 314.360 3.970 20 5 DHBDRO COCC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000468690461 339268703 /nfs/dbraw/zinc/26/87/03/339268703.db2.gz PPGFWDRXUWURRX-HNNXBMFYSA-N 1 0 306.406 3.542 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000469078198 339279477 /nfs/dbraw/zinc/27/94/77/339279477.db2.gz SOHMBPMVTYFZGJ-IOTGCTKJSA-N 1 0 318.417 3.529 20 5 DHBDRO CCOC[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470174963 339312924 /nfs/dbraw/zinc/31/29/24/339312924.db2.gz OIAINSPEFDPKPC-XBNGYDHASA-N 1 0 318.417 3.747 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC(F)(F)F ZINC000470178882 339312952 /nfs/dbraw/zinc/31/29/52/339312952.db2.gz PHHVWECEYLQBAA-DHZHZOJOSA-N 1 0 302.296 3.882 20 5 DHBDRO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000470178296 339312997 /nfs/dbraw/zinc/31/29/97/339312997.db2.gz XZANNQXBTLLOBP-RVDMUPIBSA-N 1 0 311.385 3.915 20 5 DHBDRO CSC[C@H]1CCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470179517 339313162 /nfs/dbraw/zinc/31/31/62/339313162.db2.gz YFZCAROPLDTYHX-RCBBPTIPSA-N 1 0 306.431 3.826 20 5 DHBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000471049527 339335856 /nfs/dbraw/zinc/33/58/56/339335856.db2.gz ZMAYKIHXMHJEGL-RDTXWAMCSA-N 1 0 312.369 3.667 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000475212314 339441748 /nfs/dbraw/zinc/44/17/48/339441748.db2.gz DDVNFIWYUSQJBY-JSGCOSHPSA-N 1 0 324.371 3.941 20 5 DHBDRO COC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC(C)CC1 ZINC000475424338 339451187 /nfs/dbraw/zinc/45/11/87/339451187.db2.gz NPFPCCNAIZDYHS-FNORWQNLSA-N 1 0 318.417 3.793 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CC2(C(F)F)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000479451614 339535675 /nfs/dbraw/zinc/53/56/75/339535675.db2.gz KCOGACFZMHVCHW-CYBMUJFWSA-N 1 0 310.344 3.952 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000479847037 339550174 /nfs/dbraw/zinc/55/01/74/339550174.db2.gz AKKOOQJQKAKVGS-KRWDZBQOSA-N 1 0 314.360 3.845 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000479956239 339554050 /nfs/dbraw/zinc/55/40/50/339554050.db2.gz YHAWKWJLLDVYGQ-ZEXGLFEZSA-N 1 0 318.417 3.791 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]CC=C(C)C)o2)c([N+](=O)[O-])c1 ZINC000480305510 339568204 /nfs/dbraw/zinc/56/82/04/339568204.db2.gz FCLAKTHCWCQRJH-UHFFFAOYSA-N 1 0 316.357 3.919 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482249976 339627614 /nfs/dbraw/zinc/62/76/14/339627614.db2.gz PXCQMAVYCSWZMF-ROUUACIJSA-N 1 0 320.433 3.967 20 5 DHBDRO Cc1c(C[NH2+]Cc2scnc2C2CC2)cccc1[N+](=O)[O-] ZINC000487204337 339746277 /nfs/dbraw/zinc/74/62/77/339746277.db2.gz UCPAXKVYGFVQNU-UHFFFAOYSA-N 1 0 303.387 3.527 20 5 DHBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000493898671 339936089 /nfs/dbraw/zinc/93/60/89/339936089.db2.gz XZJAPAKVLYIHPO-KBXCAEBGSA-N 1 0 314.385 3.503 20 5 DHBDRO COCC1(C)CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000500746160 340066417 /nfs/dbraw/zinc/06/64/17/340066417.db2.gz FHRGQOPPGFZVPZ-UHFFFAOYSA-N 1 0 320.433 3.967 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCCSCC)cc1[N+](=O)[O-] ZINC000502574490 340108107 /nfs/dbraw/zinc/10/81/07/340108107.db2.gz JYQOFODLXKEORD-GFCCVEGCSA-N 1 0 312.435 3.787 20 5 DHBDRO COc1ccccc1CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000505533893 340170521 /nfs/dbraw/zinc/17/05/21/340170521.db2.gz PPVVUIUBZVEHCW-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCSCC2)s1 ZINC000506368408 340193387 /nfs/dbraw/zinc/19/33/87/340193387.db2.gz IDJUWUWJBLHQAE-UHFFFAOYSA-N 1 0 320.439 3.872 20 5 DHBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000506439804 340194618 /nfs/dbraw/zinc/19/46/18/340194618.db2.gz QUSNCWJFYVCSAX-INIZCTEOSA-N 1 0 319.449 3.634 20 5 DHBDRO Cc1cc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000506948322 340204268 /nfs/dbraw/zinc/20/42/68/340204268.db2.gz WNBBNNSBDRZODZ-HLLBOEOZSA-N 1 0 317.433 3.745 20 5 DHBDRO CCc1nocc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000507251796 340215629 /nfs/dbraw/zinc/21/56/29/340215629.db2.gz KGORJNZLOUIOEG-UHFFFAOYSA-N 1 0 303.362 3.556 20 5 DHBDRO CC[C@H]1C[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000507790120 340231513 /nfs/dbraw/zinc/23/15/13/340231513.db2.gz ABTPLEYQSFSZMS-QAPCUYQASA-N 1 0 318.417 3.764 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000507813635 340232927 /nfs/dbraw/zinc/23/29/27/340232927.db2.gz KKWQQJTVKHSTRL-OAHLLOKOSA-N 1 0 318.323 3.693 20 5 DHBDRO CC(C)N(CCC[NH+]1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000508172039 340240039 /nfs/dbraw/zinc/24/00/39/340240039.db2.gz BMMXSQKUMZHBPC-UHFFFAOYSA-N 1 0 319.449 3.681 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510735908 340308770 /nfs/dbraw/zinc/30/87/70/340308770.db2.gz MIVUIFGYQGHXCC-IUODEOHRSA-N 1 0 310.369 3.611 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510735910 340308851 /nfs/dbraw/zinc/30/88/51/340308851.db2.gz MIVUIFGYQGHXCC-SWLSCSKDSA-N 1 0 310.369 3.611 20 5 DHBDRO C[N@H+](CCc1ccc(F)c(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC000511104856 340320983 /nfs/dbraw/zinc/32/09/83/340320983.db2.gz GSIKYNNQUYRZIM-UHFFFAOYSA-N 1 0 320.339 3.590 20 5 DHBDRO CCOCC[N@H+](CC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512291173 340355726 /nfs/dbraw/zinc/35/57/26/340355726.db2.gz FSMDBZTZXYAEAX-UHFFFAOYSA-N 1 0 318.373 3.713 20 5 DHBDRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000173402960 340364262 /nfs/dbraw/zinc/36/42/62/340364262.db2.gz MTXYMWUSMYNUTC-JTQLQIEISA-N 1 0 305.403 3.561 20 5 DHBDRO C[C@H]1CC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513045951 340390608 /nfs/dbraw/zinc/39/06/08/340390608.db2.gz IFVNCBKBDKHHJZ-IINYFYTJSA-N 1 0 303.387 3.606 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000513056689 340391361 /nfs/dbraw/zinc/39/13/61/340391361.db2.gz KHGXSHLCMIQQMA-ABAIWWIYSA-N 1 0 316.357 3.752 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1cccc([N+](=O)[O-])c1 ZINC000513208971 340397325 /nfs/dbraw/zinc/39/73/25/340397325.db2.gz CVDBZLHVGUIMMX-NEPJUHHUSA-N 1 0 310.357 3.883 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513208974 340397383 /nfs/dbraw/zinc/39/73/83/340397383.db2.gz CVDBZLHVGUIMMX-VXGBXAGGSA-N 1 0 310.357 3.883 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2c1cccc2F ZINC000513859461 340429106 /nfs/dbraw/zinc/42/91/06/340429106.db2.gz MAXGVHWUDKJRTB-INIZCTEOSA-N 1 0 300.333 3.554 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191661116 340557063 /nfs/dbraw/zinc/55/70/63/340557063.db2.gz ZHEDPFJNMFEJAR-QQOXCAACSA-N 1 0 324.380 3.981 20 5 DHBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000537982086 340795300 /nfs/dbraw/zinc/79/53/00/340795300.db2.gz JWVHQWXZVRPXNH-GFCCVEGCSA-N 1 0 305.403 3.725 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000539058351 340868945 /nfs/dbraw/zinc/86/89/45/340868945.db2.gz DHAOFICBOSWVCX-MPGHIAIKSA-N 1 0 320.433 3.885 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000067949788 340873335 /nfs/dbraw/zinc/87/33/35/340873335.db2.gz REKNGZFFAYMFDI-ZDUSSCGKSA-N 1 0 321.421 3.720 20 5 DHBDRO CC1(C)CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000539599921 340891877 /nfs/dbraw/zinc/89/18/77/340891877.db2.gz KJFIAWSINQQADX-NSHDSACASA-N 1 0 314.332 3.865 20 5 DHBDRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000540191619 340922619 /nfs/dbraw/zinc/92/26/19/340922619.db2.gz RNSLNBJXEHEYGW-PIGZYNQJSA-N 1 0 300.333 3.757 20 5 DHBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000541202524 340961476 /nfs/dbraw/zinc/96/14/76/340961476.db2.gz LEQDSCVTSVMSNO-RYUDHWBXSA-N 1 0 320.414 3.572 20 5 DHBDRO CS[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000542482170 341009535 /nfs/dbraw/zinc/00/95/35/341009535.db2.gz GPRWYSCACWFXAK-SOIVGHGOSA-N 1 0 308.447 3.975 20 5 DHBDRO CCc1cnc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000130282863 341013083 /nfs/dbraw/zinc/01/30/83/341013083.db2.gz XKIDMNYLZWZLET-GFCCVEGCSA-N 1 0 319.430 3.815 20 5 DHBDRO COc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000543630602 341051982 /nfs/dbraw/zinc/05/19/82/341051982.db2.gz YBDAXIXGFUJEED-UHFFFAOYSA-N 1 0 312.369 3.691 20 5 DHBDRO COc1ccc(OCC[NH2+][C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000564287857 341117854 /nfs/dbraw/zinc/11/78/54/341117854.db2.gz QWDCEFNGILPFHW-CYBMUJFWSA-N 1 0 322.405 3.541 20 5 DHBDRO CC1(C)Cc2cccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)c2O1 ZINC000078005832 341233710 /nfs/dbraw/zinc/23/37/10/341233710.db2.gz AUJGAKJCNZPAKN-UHFFFAOYSA-N 1 0 312.369 3.598 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC4(C3)CCCCC4)nc2c1 ZINC000547853015 341237886 /nfs/dbraw/zinc/23/78/86/341237886.db2.gz OMKRJDCXFSIYIU-UHFFFAOYSA-N 1 0 314.389 3.627 20 5 DHBDRO COc1ccc(C)cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548934652 341281539 /nfs/dbraw/zinc/28/15/39/341281539.db2.gz MWTUCAKXNHPVKV-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO C[N@H+](CCCOc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000548934612 341281617 /nfs/dbraw/zinc/28/16/17/341281617.db2.gz LZODJTUCKSNOAI-UHFFFAOYSA-N 1 0 314.385 3.538 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)c(F)c(F)c1 ZINC000549407704 341293540 /nfs/dbraw/zinc/29/35/40/341293540.db2.gz IKZYSEABWOIOQD-UHFFFAOYSA-N 1 0 324.302 3.687 20 5 DHBDRO C[C@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000549859824 341305169 /nfs/dbraw/zinc/30/51/69/341305169.db2.gz BJKLYOQHAMQFQH-UWVGGRQHSA-N 1 0 302.296 3.701 20 5 DHBDRO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000550444420 341317234 /nfs/dbraw/zinc/31/72/34/341317234.db2.gz UXPNMWXZVDLCQN-TZMCWYRMSA-N 1 0 322.380 3.753 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000247143050 341361389 /nfs/dbraw/zinc/36/13/89/341361389.db2.gz QYGJVKXJNPAMCC-FJIDUMEYSA-N 1 0 318.417 3.983 20 5 DHBDRO Cc1ccnc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000552062438 341366405 /nfs/dbraw/zinc/36/64/05/341366405.db2.gz XNCKUYIWLOCQIC-HNNXBMFYSA-N 1 0 313.401 3.972 20 5 DHBDRO CC(C)C[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000552281454 341383826 /nfs/dbraw/zinc/38/38/26/341383826.db2.gz WHFVAKNGICQOQO-AWEZNQCLSA-N 1 0 306.406 3.873 20 5 DHBDRO Cc1cccc(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000552326532 341386904 /nfs/dbraw/zinc/38/69/04/341386904.db2.gz WDNNHOVWYPGQMG-OAHLLOKOSA-N 1 0 313.401 3.890 20 5 DHBDRO C[C@](CO)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000152761552 341505275 /nfs/dbraw/zinc/50/52/75/341505275.db2.gz LSDCAOMOYBJKSE-PDFOZTTASA-N 1 0 318.417 3.529 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000565218889 341520573 /nfs/dbraw/zinc/52/05/73/341520573.db2.gz SODWGBAUBTUXNJ-GOSISDBHSA-N 1 0 323.396 3.646 20 5 DHBDRO Cc1cccc(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000566984111 341573396 /nfs/dbraw/zinc/57/33/96/341573396.db2.gz WXKDXCDIBNVPDK-QGZVFWFLSA-N 1 0 311.385 3.508 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1 ZINC000573020690 341713790 /nfs/dbraw/zinc/71/37/90/341713790.db2.gz TUMNFDBKRRCIQI-QGZVFWFLSA-N 1 0 312.369 3.689 20 5 DHBDRO C[C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000575832362 341807535 /nfs/dbraw/zinc/80/75/35/341807535.db2.gz ZGPPVHLQYBADLX-JSGCOSHPSA-N 1 0 301.390 3.787 20 5 DHBDRO Cc1c(C[NH2+]Cc2c[nH]nc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000336878968 341809887 /nfs/dbraw/zinc/80/98/87/341809887.db2.gz KEVYMVMVOWDKHT-UHFFFAOYSA-N 1 0 322.368 3.583 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000349201790 341965654 /nfs/dbraw/zinc/96/56/54/341965654.db2.gz MIOWCRBBMPTJIQ-VNHYZAJKSA-N 1 0 322.405 3.602 20 5 DHBDRO CC(C)[NH+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000183026838 519662974 /nfs/dbraw/zinc/66/29/74/519662974.db2.gz PBTUEULTSZRZOA-UHFFFAOYSA-N 1 0 303.362 3.869 20 5 DHBDRO CC(C)OC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000337269262 519770699 /nfs/dbraw/zinc/77/06/99/519770699.db2.gz YPPCCRNWYUUEOP-SNVBAGLBSA-N 1 0 320.311 3.517 20 5 DHBDRO CC[C@H]([NH2+]CCc1nc(C)c(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000127772823 522602876 /nfs/dbraw/zinc/60/28/76/522602876.db2.gz VZFSYSWOKCJLOV-HNNXBMFYSA-N 1 0 319.430 3.952 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000157680313 522849652 /nfs/dbraw/zinc/84/96/52/522849652.db2.gz WODISNFGBDWEFN-IAGOWNOFSA-N 1 0 318.348 3.508 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2cccnc21 ZINC000338345106 522947251 /nfs/dbraw/zinc/94/72/51/522947251.db2.gz DVNGPTSVZNFGBL-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000179947070 524328547 /nfs/dbraw/zinc/32/85/47/524328547.db2.gz CQYSQNZJLCJWRZ-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000353101570 524594215 /nfs/dbraw/zinc/59/42/15/524594215.db2.gz NXBQZGILWAKUFM-LBPRGKRZSA-N 1 0 310.357 3.630 20 5 DHBDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000158055933 524814754 /nfs/dbraw/zinc/81/47/54/524814754.db2.gz DODQDKMVKUETFV-HNNXBMFYSA-N 1 0 312.369 3.593 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000136813835 525476046 /nfs/dbraw/zinc/47/60/46/525476046.db2.gz GYHBSXKKIMTWED-BDJLRTHQSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000266819510 525643414 /nfs/dbraw/zinc/64/34/14/525643414.db2.gz YQJIUDWZZKNLIY-GDBMZVCRSA-N 1 0 311.385 3.524 20 5 DHBDRO Cc1c(C[NH+]2CCC(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000191639945 525706446 /nfs/dbraw/zinc/70/64/46/525706446.db2.gz NWIHINSHCLFTBH-UHFFFAOYSA-N 1 0 311.385 3.678 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cnn1C(C)(C)C ZINC000191351125 525920054 /nfs/dbraw/zinc/92/00/54/525920054.db2.gz VQXXNEBHLFBRCY-LBPRGKRZSA-N 1 0 316.405 3.706 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000369327077 525946619 /nfs/dbraw/zinc/94/66/19/525946619.db2.gz OGEQRXFUQCTIDW-BBRMVZONSA-N 1 0 304.390 3.513 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189249459 526087710 /nfs/dbraw/zinc/08/77/10/526087710.db2.gz VWNSOCZWFPHKEW-KDOFPFPSSA-N 1 0 318.417 3.855 20 5 DHBDRO Cc1nc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000189786231 527052856 /nfs/dbraw/zinc/05/28/56/527052856.db2.gz OGPDRCLLAIQKFT-INIZCTEOSA-N 1 0 317.414 3.739 20 5 DHBDRO CC(C)(O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000274782565 535293464 /nfs/dbraw/zinc/29/34/64/535293464.db2.gz VVWFSPMZSXBIFY-UHFFFAOYSA-N 1 0 320.414 3.574 20 5 DHBDRO CCOC1CC2(C1)CC[N@@H+]([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000285638711 535400100 /nfs/dbraw/zinc/40/01/00/535400100.db2.gz ZELVNJXGBQDDBP-NVPAJSRCSA-N 1 0 304.390 3.547 20 5 DHBDRO CCC[C@H]([NH2+]CCCc1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000121454106 535703509 /nfs/dbraw/zinc/70/35/09/535703509.db2.gz MJJMRVJOSLEDKA-KRWDZBQOSA-N 1 0 316.405 3.690 20 5 DHBDRO C[NH+](C)CCCOc1ccc(Nc2cccc([N+](=O)[O-])c2)cc1 ZINC001204456107 1013359066 /nfs/dbraw/zinc/35/90/66/1013359066.db2.gz KNYBWCAYHJWXRX-UHFFFAOYSA-N 1 0 315.373 3.669 20 5 DHBDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000155354875 1013381564 /nfs/dbraw/zinc/38/15/64/1013381564.db2.gz LXCAOHIIDGNZPY-CQSZACIVSA-N 1 0 308.422 3.743 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000894938446 1013747656 /nfs/dbraw/zinc/74/76/56/1013747656.db2.gz ZNFIPLIALRGJPG-UHFFFAOYSA-N 1 0 319.792 3.711 20 5 DHBDRO COC1(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000340442596 1013796665 /nfs/dbraw/zinc/79/66/65/1013796665.db2.gz ZTXPCPGRIIQUBV-INIZCTEOSA-N 1 0 304.390 3.521 20 5 DHBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123239002 1013912367 /nfs/dbraw/zinc/91/23/67/1013912367.db2.gz KCBGXQMSZCGVOV-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000091859281 1014300883 /nfs/dbraw/zinc/30/08/83/1014300883.db2.gz OEWGCUUQDKKFJH-NWDGAFQWSA-N 1 0 317.414 3.949 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000275946448 1014331285 /nfs/dbraw/zinc/33/12/85/1014331285.db2.gz ZXBUZYSWLLTBRC-OAHLLOKOSA-N 1 0 318.348 3.983 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ncccc1F)CCCC2 ZINC000520547078 1014334816 /nfs/dbraw/zinc/33/48/16/1014334816.db2.gz PJYDGGZCCVDVIQ-MRXNPFEDSA-N 1 0 315.348 3.686 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ccco1 ZINC000129575896 1014371680 /nfs/dbraw/zinc/37/16/80/1014371680.db2.gz PBMIKUOUTIETLE-XJKSGUPXSA-N 1 0 300.358 3.689 20 5 DHBDRO C[C@H](C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000248437210 1014444222 /nfs/dbraw/zinc/44/42/22/1014444222.db2.gz BDWOMHGPKLWEFU-VXGBXAGGSA-N 1 0 305.403 3.848 20 5 DHBDRO Cc1cnc(NC2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000610469650 1014475296 /nfs/dbraw/zinc/47/52/96/1014475296.db2.gz YQKHOXTYLQRTNG-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933082453 1014540223 /nfs/dbraw/zinc/54/02/23/1014540223.db2.gz NECRDNXVKPCBGH-WMLDXEAASA-N 1 0 318.417 3.794 20 5 DHBDRO Cc1ccc([C@@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000320113497 1014587539 /nfs/dbraw/zinc/58/75/39/1014587539.db2.gz CMGOSGNWCYZIAQ-QAPCUYQASA-N 1 0 319.449 3.674 20 5 DHBDRO CCC[C@H]([NH2+]CCc1nc(C)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000357776944 1014590719 /nfs/dbraw/zinc/59/07/19/1014590719.db2.gz FRYQIZZFYSACEM-KRWDZBQOSA-N 1 0 317.389 3.873 20 5 DHBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581720 1014857828 /nfs/dbraw/zinc/85/78/28/1014857828.db2.gz FRWHYOIVWHMZJY-LALPHHSUSA-N 1 0 315.373 3.889 20 5 DHBDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276291995 1014916220 /nfs/dbraw/zinc/91/62/20/1014916220.db2.gz HZPQSXDVKWOIJJ-OAHLLOKOSA-N 1 0 303.337 3.712 20 5 DHBDRO COCC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000341339810 1015208302 /nfs/dbraw/zinc/20/83/02/1015208302.db2.gz AXKZDXKMAZAMKB-UHFFFAOYSA-N 1 0 316.357 3.514 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1Cl ZINC000895580055 1015215882 /nfs/dbraw/zinc/21/58/82/1015215882.db2.gz FBQKVOYPGCYEDS-LLVKDONJSA-N 1 0 323.805 3.694 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000051180653 1015255301 /nfs/dbraw/zinc/25/53/01/1015255301.db2.gz ILDUWGZKNMYVID-INIZCTEOSA-N 1 0 312.369 3.811 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2ccc(CC(C)C)nc2)cc1[N+](=O)[O-] ZINC000895832754 1015326194 /nfs/dbraw/zinc/32/61/94/1015326194.db2.gz IUNPZMPBNKQMHI-UHFFFAOYSA-N 1 0 313.401 3.787 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](CC)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151692021 1015404698 /nfs/dbraw/zinc/40/46/98/1015404698.db2.gz FIDCHDICGOCJJP-RDJZCZTQSA-N 1 0 305.422 3.510 20 5 DHBDRO CCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)n1 ZINC000891624793 1015461920 /nfs/dbraw/zinc/46/19/20/1015461920.db2.gz GQFLBBLMBQUZGX-UHFFFAOYSA-N 1 0 316.405 3.530 20 5 DHBDRO COCC[N@H+](Cc1cccs1)Cc1cccc([N+](=O)[O-])c1C ZINC000051283086 1015472292 /nfs/dbraw/zinc/47/22/92/1015472292.db2.gz CQMYKRKXRQGCLP-UHFFFAOYSA-N 1 0 320.414 3.613 20 5 DHBDRO Cc1ccc(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000474813589 1015615261 /nfs/dbraw/zinc/61/52/61/1015615261.db2.gz SZZVXKZFWXQGNJ-HNNXBMFYSA-N 1 0 313.401 3.890 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000129712798 1015687255 /nfs/dbraw/zinc/68/72/55/1015687255.db2.gz AEPFRVXZKLVYCV-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000341873195 1015782791 /nfs/dbraw/zinc/78/27/91/1015782791.db2.gz FPNRYMODZFFJEC-XIRDDKMYSA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000896859066 1015785939 /nfs/dbraw/zinc/78/59/39/1015785939.db2.gz CELCXFJOJMRZQF-WCBMZHEXSA-N 1 0 308.687 3.536 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2COc3ccc(Cl)cc32)cc1 ZINC000610811065 1015853430 /nfs/dbraw/zinc/85/34/30/1015853430.db2.gz IBPHUIOSVXTSGY-HNNXBMFYSA-N 1 0 318.760 3.514 20 5 DHBDRO CC(C)(C)OCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000610864876 1015902329 /nfs/dbraw/zinc/90/23/29/1015902329.db2.gz SPBHFIPNBQVTAH-UHFFFAOYSA-N 1 0 306.406 3.764 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000065534699 1016213012 /nfs/dbraw/zinc/21/30/12/1016213012.db2.gz QMGAZWGUDADLTN-MRXNPFEDSA-N 1 0 318.398 3.872 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000846905886 1032144494 /nfs/dbraw/zinc/14/44/94/1032144494.db2.gz MODXMRXQKLOVRC-ZDUSSCGKSA-N 1 0 317.776 3.633 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCOc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000539091287 1016242243 /nfs/dbraw/zinc/24/22/43/1016242243.db2.gz LXWCFZLFTCMGLD-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO COCC[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000051375671 1016303964 /nfs/dbraw/zinc/30/39/64/1016303964.db2.gz AZDSOJYUTRKBCP-UHFFFAOYSA-N 1 0 314.385 3.552 20 5 DHBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000342527072 1016685825 /nfs/dbraw/zinc/68/58/25/1016685825.db2.gz UGJLQWOLCHVIOZ-SFHVURJKSA-N 1 0 323.396 3.579 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000478491876 1016696485 /nfs/dbraw/zinc/69/64/85/1016696485.db2.gz TUFZVGXDAWQHFG-GVDBMIGSSA-N 1 0 318.417 3.588 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000582434637 1016746146 /nfs/dbraw/zinc/74/61/46/1016746146.db2.gz FDKGZHQFIUXXFA-QCEMKRCNSA-N 1 0 306.381 3.786 20 5 DHBDRO Cc1c(CN(C)Cc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000051709352 1016825043 /nfs/dbraw/zinc/82/50/43/1016825043.db2.gz VVQVVZCVPCEFLX-UHFFFAOYSA-N 1 0 306.312 3.813 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCSC3(CCC3)C2)cc1 ZINC000896950215 1016954544 /nfs/dbraw/zinc/95/45/44/1016954544.db2.gz CYKQDQOEWQDCRM-CQSZACIVSA-N 1 0 306.431 3.545 20 5 DHBDRO C[C@@H](CCCCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295099513 1032274458 /nfs/dbraw/zinc/27/44/58/1032274458.db2.gz SMOFAKBMRWFUPM-VIFPVBQESA-N 1 0 321.204 3.542 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC34CCC4)cs2)c1 ZINC000537636001 1032441491 /nfs/dbraw/zinc/44/14/91/1032441491.db2.gz HRQRNKFHVIJVGV-UHFFFAOYSA-N 1 0 315.398 3.847 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC000348110423 1032463903 /nfs/dbraw/zinc/46/39/03/1032463903.db2.gz MTIDUUWCYBYMBS-NSHDSACASA-N 1 0 304.346 3.664 20 5 DHBDRO Cc1ncc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000773083075 1032551796 /nfs/dbraw/zinc/55/17/96/1032551796.db2.gz SEPLTKVTZHNQGL-NSHDSACASA-N 1 0 305.403 3.561 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000509519977 1032571684 /nfs/dbraw/zinc/57/16/84/1032571684.db2.gz BBMCQRHJULFUDZ-CZUORRHYSA-N 1 0 312.369 3.639 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000034996515 1011956646 /nfs/dbraw/zinc/95/66/46/1011956646.db2.gz UQUAERCSUSDGSE-HNNXBMFYSA-N 1 0 300.383 3.922 20 5 DHBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1C ZINC000120125282 1012048033 /nfs/dbraw/zinc/04/80/33/1012048033.db2.gz OIAGDSLHKLGYJU-XKQJLSEDSA-N 1 0 306.406 3.529 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000579764992 1012051094 /nfs/dbraw/zinc/05/10/94/1012051094.db2.gz QWXJGHAWAIUZNI-XOVFHRFOSA-N 1 0 318.417 3.625 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2cccc(F)c2)c1 ZINC000036778527 1032601940 /nfs/dbraw/zinc/60/19/40/1032601940.db2.gz PTEMXURTQPCXHN-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000513825199 1012208742 /nfs/dbraw/zinc/20/87/42/1012208742.db2.gz XUMZHVYSRCUJQW-BPUTZDHNSA-N 1 0 320.458 3.791 20 5 DHBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000514206738 1012296751 /nfs/dbraw/zinc/29/67/51/1012296751.db2.gz UAAAGXJOFWXFPW-UHFFFAOYSA-N 1 0 319.449 3.852 20 5 DHBDRO CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000515559889 1012666427 /nfs/dbraw/zinc/66/64/27/1012666427.db2.gz PYIBYSOECFDUMD-DYVFJYSZSA-N 1 0 319.449 3.636 20 5 DHBDRO CCC[C@@H](N[C@@H](C)C[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000336852405 1012950243 /nfs/dbraw/zinc/95/02/43/1012950243.db2.gz QCNPHZLUTVJKBN-WMLDXEAASA-N 1 0 307.438 3.756 20 5 DHBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000336861668 1013015699 /nfs/dbraw/zinc/01/56/99/1013015699.db2.gz DSOHWSUSGBTZLJ-UHFFFAOYSA-N 1 0 317.311 3.510 20 5 DHBDRO Cc1cc(NCCCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000517661644 1013039295 /nfs/dbraw/zinc/03/92/95/1013039295.db2.gz BMNHFIJAHAQXCF-UHFFFAOYSA-N 1 0 305.422 3.971 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000075744910 1017327663 /nfs/dbraw/zinc/32/76/63/1017327663.db2.gz JVCXIFXZPHJNPB-ZBFHGGJFSA-N 1 0 312.369 3.809 20 5 DHBDRO CCC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121407568 1017437263 /nfs/dbraw/zinc/43/72/63/1017437263.db2.gz WYXAAPKRSGRUGG-UKPHBRMFSA-N 1 0 306.406 3.577 20 5 DHBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444651432 1017606499 /nfs/dbraw/zinc/60/64/99/1017606499.db2.gz VFZOYRLTQVVBCV-LRDDRELGSA-N 1 0 316.405 3.872 20 5 DHBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677765 1017625855 /nfs/dbraw/zinc/62/58/55/1017625855.db2.gz UWJGQWICKBFLMV-JSGCOSHPSA-N 1 0 316.405 3.920 20 5 DHBDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083211607 1017637671 /nfs/dbraw/zinc/63/76/71/1017637671.db2.gz DAQCJAZQPZROGH-RYUDHWBXSA-N 1 0 303.362 3.747 20 5 DHBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000523386930 1017669941 /nfs/dbraw/zinc/66/99/41/1017669941.db2.gz KGUSKUDXDYMIGQ-KRWDZBQOSA-N 1 0 318.348 3.854 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCCc2nccs2)cc1[N+](=O)[O-] ZINC000358037109 1017791106 /nfs/dbraw/zinc/79/11/06/1017791106.db2.gz MJQWLILLFSKQDE-LBPRGKRZSA-N 1 0 305.403 3.643 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(C)cc1 ZINC000523842169 1017810670 /nfs/dbraw/zinc/81/06/70/1017810670.db2.gz JWHVCTHHLSWMTE-UHFFFAOYSA-N 1 0 314.385 3.634 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc(OC)c1F)c1cccc([N+](=O)[O-])c1 ZINC000192692874 1032725838 /nfs/dbraw/zinc/72/58/38/1032725838.db2.gz IIUKAJCZNSJZET-HNNXBMFYSA-N 1 0 318.348 3.983 20 5 DHBDRO CC1(C)CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093339786 1017953841 /nfs/dbraw/zinc/95/38/41/1017953841.db2.gz HHHWYYOBXJYKGE-UHFFFAOYSA-N 1 0 317.414 3.950 20 5 DHBDRO Cc1ccc([C@@H](C)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000153722492 1017992068 /nfs/dbraw/zinc/99/20/68/1017992068.db2.gz RIKVHLGLHPLCEV-ZBFHGGJFSA-N 1 0 317.433 3.571 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC4(CCCC4)C3)nc2c1 ZINC000445867587 1018000435 /nfs/dbraw/zinc/00/04/35/1018000435.db2.gz WUTZGJMFXBQMGU-UHFFFAOYSA-N 1 0 315.373 3.892 20 5 DHBDRO C[C@]1(c2ccccc2)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000446713779 1018210774 /nfs/dbraw/zinc/21/07/74/1018210774.db2.gz AIMULNRVWKAMCJ-IBGZPJMESA-N 1 0 310.397 3.801 20 5 DHBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000447057986 1018319189 /nfs/dbraw/zinc/31/91/89/1018319189.db2.gz FPQDFLRSMKVDDU-QGZVFWFLSA-N 1 0 306.406 3.684 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000764627518 1018335864 /nfs/dbraw/zinc/33/58/64/1018335864.db2.gz IWRIAFIGYDMVJX-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000447389606 1018386625 /nfs/dbraw/zinc/38/66/25/1018386625.db2.gz ZPNWYZIVPIYAMI-KRWDZBQOSA-N 1 0 306.406 3.684 20 5 DHBDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447528903 1018405078 /nfs/dbraw/zinc/40/50/78/1018405078.db2.gz JVISMZUDWMDAKG-FXUDXRNXSA-N 1 0 320.437 3.691 20 5 DHBDRO CC(C)CCOCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447564930 1018427920 /nfs/dbraw/zinc/42/79/20/1018427920.db2.gz ZRBMOUKZBZIJAR-QGZVFWFLSA-N 1 0 306.406 3.625 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000447597788 1018433395 /nfs/dbraw/zinc/43/33/95/1018433395.db2.gz GWLUDHUJLCWMJY-NOZJJQNGSA-N 1 0 302.296 3.760 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000526001123 1018437410 /nfs/dbraw/zinc/43/74/10/1018437410.db2.gz JMFVGISCRCGFIT-OAHLLOKOSA-N 1 0 300.333 3.723 20 5 DHBDRO CN1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000536023075 1018460282 /nfs/dbraw/zinc/46/02/82/1018460282.db2.gz LNSXWSCMIBEYHZ-MRXNPFEDSA-N 1 0 317.776 3.847 20 5 DHBDRO CC[C@H](C)C[N@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765062142 1018466175 /nfs/dbraw/zinc/46/61/75/1018466175.db2.gz POXFPFDDVCEJCG-LBPRGKRZSA-N 1 0 304.394 3.578 20 5 DHBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000527359168 1018560136 /nfs/dbraw/zinc/56/01/36/1018560136.db2.gz FQDOGIDUDVEHBK-QGZVFWFLSA-N 1 0 318.348 3.854 20 5 DHBDRO COCC1(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000340444976 1018613823 /nfs/dbraw/zinc/61/38/23/1018613823.db2.gz SKUUZUZLAUJIEV-KRWDZBQOSA-N 1 0 318.417 3.769 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340446866 1018636533 /nfs/dbraw/zinc/63/65/33/1018636533.db2.gz PXNDFSZDQSYIGN-BLLLJJGKSA-N 1 0 315.373 3.887 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc([C@@H](C)O)cc1 ZINC000765305427 1018751612 /nfs/dbraw/zinc/75/16/12/1018751612.db2.gz PFVWJVUIQUNRJI-UONOGXRCSA-N 1 0 314.385 3.807 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCC2SCCS2)cc1[N+](=O)[O-] ZINC000693830153 1018774314 /nfs/dbraw/zinc/77/43/14/1018774314.db2.gz YCYHFWZLVNVIKU-LLVKDONJSA-N 1 0 312.460 3.750 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000514947800 1018802761 /nfs/dbraw/zinc/80/27/61/1018802761.db2.gz KSEIAIUZRPCVRP-CYBMUJFWSA-N 1 0 317.776 3.633 20 5 DHBDRO CC(C)(C)OCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000710112133 1018850191 /nfs/dbraw/zinc/85/01/91/1018850191.db2.gz GASTZIWXCXMUQL-UHFFFAOYSA-N 1 0 300.786 3.543 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000921815943 1018899578 /nfs/dbraw/zinc/89/95/78/1018899578.db2.gz CNJVHCZGEGPTJP-QSPRXWTASA-N 1 0 318.417 3.759 20 5 DHBDRO CC[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000921819249 1018900255 /nfs/dbraw/zinc/90/02/55/1018900255.db2.gz WUYUTGBSQFHFOX-KRWDZBQOSA-N 1 0 314.389 3.757 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(CCCC2)O1 ZINC000584104263 1018956814 /nfs/dbraw/zinc/95/68/14/1018956814.db2.gz FVVPJEFIFLMPTK-INIZCTEOSA-N 1 0 318.417 3.561 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000248632032 1019080877 /nfs/dbraw/zinc/08/08/77/1019080877.db2.gz RKPQQCPDRJNGHC-SMDDNHRTSA-N 1 0 308.353 3.507 20 5 DHBDRO C[NH2+][C@@H](CC(C)(C)C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178867 1019228009 /nfs/dbraw/zinc/22/80/09/1019228009.db2.gz OEBMQCXYRVFYFI-LBPRGKRZSA-N 1 0 318.377 3.650 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000777010201 1032818103 /nfs/dbraw/zinc/81/81/03/1032818103.db2.gz YMHKYMKHZGITPU-OLZOCXBDSA-N 1 0 320.311 3.603 20 5 DHBDRO Cc1nc2c(s1)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000090909943 1019405140 /nfs/dbraw/zinc/40/51/40/1019405140.db2.gz MVPBMMOCELLUMO-AWEZNQCLSA-N 1 0 317.414 3.569 20 5 DHBDRO CCCO[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255356027 1019406735 /nfs/dbraw/zinc/40/67/35/1019406735.db2.gz VJOCPNJQWAXQGF-CTEOGUNLSA-N 1 0 318.417 3.889 20 5 DHBDRO CCCO[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255356023 1019407266 /nfs/dbraw/zinc/40/72/66/1019407266.db2.gz VJOCPNJQWAXQGF-AFCDSYGPSA-N 1 0 318.417 3.889 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC2)CC1 ZINC000611177645 1019407630 /nfs/dbraw/zinc/40/76/30/1019407630.db2.gz PZLZINUXUHFKPJ-UHFFFAOYSA-N 1 0 304.390 3.758 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000611265352 1019427887 /nfs/dbraw/zinc/42/78/87/1019427887.db2.gz AHPDSBQFUQXZTA-KRWDZBQOSA-N 1 0 312.369 3.946 20 5 DHBDRO Cc1cccc(NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000338646167 1019448128 /nfs/dbraw/zinc/44/81/28/1019448128.db2.gz YQGXYZMUKDNSPH-AWEZNQCLSA-N 1 0 305.403 3.680 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336814 1019448919 /nfs/dbraw/zinc/44/89/19/1019448919.db2.gz MFECZPGXHCIIGK-XJKSGUPXSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000611350315 1019451210 /nfs/dbraw/zinc/45/12/10/1019451210.db2.gz ICCQPDDBOPEGOT-JKSUJKDBSA-N 1 0 318.417 3.542 20 5 DHBDRO Cc1c(NC(=O)CC[NH2+]C(C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000611434013 1019482015 /nfs/dbraw/zinc/48/20/15/1019482015.db2.gz DEDKODGVMHXANJ-UHFFFAOYSA-N 1 0 321.421 3.502 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000611475693 1019498422 /nfs/dbraw/zinc/49/84/22/1019498422.db2.gz ABPSOMWITCXOJA-KGLIPLIRSA-N 1 0 310.344 3.693 20 5 DHBDRO COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000084439677 1020001207 /nfs/dbraw/zinc/00/12/07/1020001207.db2.gz WCMCVSHXEHIOKL-UHFFFAOYSA-N 1 0 306.749 3.547 20 5 DHBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000318036428 1020024739 /nfs/dbraw/zinc/02/47/39/1020024739.db2.gz BGIWJPNWVXHGQT-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO Cc1noc(C)c1[C@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000092332259 1020084034 /nfs/dbraw/zinc/08/40/34/1020084034.db2.gz LIAYWHGGBFXGIX-QMMMGPOBSA-N 1 0 309.753 3.704 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922585522 1020143160 /nfs/dbraw/zinc/14/31/60/1020143160.db2.gz GHTRGRKKVSTJRR-SUQGKYDKSA-N 1 0 309.369 3.744 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922585516 1020144117 /nfs/dbraw/zinc/14/41/17/1020144117.db2.gz GHTRGRKKVSTJRR-FZMUQLTDSA-N 1 0 309.369 3.744 20 5 DHBDRO Cc1ccc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000093324673 1020147797 /nfs/dbraw/zinc/14/77/97/1020147797.db2.gz YKCSATWOLSEIQT-CQSZACIVSA-N 1 0 314.385 3.672 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000922673704 1020208002 /nfs/dbraw/zinc/20/80/02/1020208002.db2.gz QHLNVZLBHLYFEO-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC2(F)F)c(Cl)c1 ZINC000390906308 1020235091 /nfs/dbraw/zinc/23/50/91/1020235091.db2.gz RWQQKNRBBKNJTE-SNVBAGLBSA-N 1 0 304.724 3.773 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000922731599 1020243424 /nfs/dbraw/zinc/24/34/24/1020243424.db2.gz DJIYULKTGHCTHD-OIBJUYFYSA-N 1 0 308.687 3.536 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1 ZINC000922774674 1020256700 /nfs/dbraw/zinc/25/67/00/1020256700.db2.gz FPNMYSIXEIPJLH-HZPDHXFCSA-N 1 0 318.323 3.733 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]3OCC[C@@H]31)CCC2 ZINC000253354812 1020262428 /nfs/dbraw/zinc/26/24/28/1020262428.db2.gz MQJPASGFRNQEKP-DDBAPUKQSA-N 1 0 316.401 3.519 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000090965867 1020265216 /nfs/dbraw/zinc/26/52/16/1020265216.db2.gz CKEAKOGEOUVQAA-UPJWGTAASA-N 1 0 322.405 3.600 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000280901543 1020314783 /nfs/dbraw/zinc/31/47/83/1020314783.db2.gz DVBPFGCGUVSWCQ-RCCFBDPRSA-N 1 0 318.417 3.500 20 5 DHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](C)C(C)(C)C ZINC000766004103 1020333170 /nfs/dbraw/zinc/33/31/70/1020333170.db2.gz CQAMNHFVMXNNTH-QWHCGFSZSA-N 1 0 321.421 3.584 20 5 DHBDRO CC(C)OCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000186642750 1020361755 /nfs/dbraw/zinc/36/17/55/1020361755.db2.gz IHUVZTKMHMGKDM-SFHVURJKSA-N 1 0 314.385 3.699 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000123054762 1020456189 /nfs/dbraw/zinc/45/61/89/1020456189.db2.gz ZSUREKQYLADBMC-QWHCGFSZSA-N 1 0 300.358 3.582 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963647 1020463196 /nfs/dbraw/zinc/46/31/96/1020463196.db2.gz HTBWHROUPGRXLH-CZUORRHYSA-N 1 0 306.431 3.875 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000765847388 1020487131 /nfs/dbraw/zinc/48/71/31/1020487131.db2.gz BRDDINPGUHXTPA-GFOCRRMGSA-N 1 0 318.417 3.577 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000765850247 1020504813 /nfs/dbraw/zinc/50/48/13/1020504813.db2.gz WAKVUYGXTFVPMT-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000177205271 1020515445 /nfs/dbraw/zinc/51/54/45/1020515445.db2.gz QVQPZPDWOPGHLS-LSDHHAIUSA-N 1 0 310.394 3.594 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cs1 ZINC000136734500 1020627170 /nfs/dbraw/zinc/62/71/70/1020627170.db2.gz JMBIOCCDEQHQTG-ZDUSSCGKSA-N 1 0 310.419 3.628 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1ncccc1C)c1cccc([N+](=O)[O-])c1 ZINC000404590753 1020635494 /nfs/dbraw/zinc/63/54/94/1020635494.db2.gz JUEZQOFMBBHCFM-GOSISDBHSA-N 1 0 313.401 3.972 20 5 DHBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001218026446 1020824999 /nfs/dbraw/zinc/82/49/99/1020824999.db2.gz ZBBFQNWLDIPLHW-QPUJVOFHSA-N 1 0 319.188 3.669 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1c[nH]c2ccccc12 ZINC000581558368 1020890459 /nfs/dbraw/zinc/89/04/59/1020890459.db2.gz NZOIJSJPDHBGKJ-GOSISDBHSA-N 1 0 321.380 3.896 20 5 DHBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000740870913 1020956802 /nfs/dbraw/zinc/95/68/02/1020956802.db2.gz LZCFCLIEBVCPPB-NWDGAFQWSA-N 1 0 311.813 3.557 20 5 DHBDRO COC[C@H](C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180245574 1021051472 /nfs/dbraw/zinc/05/14/72/1021051472.db2.gz IWTANVLRWUENDW-KDOFPFPSSA-N 1 0 314.385 3.556 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccns1 ZINC000858577520 1032952814 /nfs/dbraw/zinc/95/28/14/1032952814.db2.gz QWIVHPSMVWWRMH-NEPJUHHUSA-N 1 0 305.403 3.723 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000414324772 1021098509 /nfs/dbraw/zinc/09/85/09/1021098509.db2.gz BUCBOSBIWHPWLX-CQSZACIVSA-N 1 0 313.401 3.927 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414342104 1021110949 /nfs/dbraw/zinc/11/09/49/1021110949.db2.gz PMYRXQXGIIYFLY-BPLDGKMQSA-N 1 0 300.358 3.655 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180447041 1021115574 /nfs/dbraw/zinc/11/55/74/1021115574.db2.gz BPILLYXRQNNRGM-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO Cc1c(C[NH2+]CCCOC2CCCCC2)cccc1[N+](=O)[O-] ZINC000917133884 1021192796 /nfs/dbraw/zinc/19/27/96/1021192796.db2.gz BBEMRYRBMDYJQZ-UHFFFAOYSA-N 1 0 306.406 3.732 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000776276444 1021220274 /nfs/dbraw/zinc/22/02/74/1021220274.db2.gz NCFKWNPMPLKTBD-GJZGRUSLSA-N 1 0 318.398 3.527 20 5 DHBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278162 1021226195 /nfs/dbraw/zinc/22/61/95/1021226195.db2.gz RVTFIBQZNPFBSJ-RRQGHBQHSA-N 1 0 306.406 3.529 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000090844972 1021300190 /nfs/dbraw/zinc/30/01/90/1021300190.db2.gz NGEPIQKEUUBBSP-AHIWAGSCSA-N 1 0 312.369 3.810 20 5 DHBDRO CCOc1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892674042 1021303300 /nfs/dbraw/zinc/30/33/00/1021303300.db2.gz RTJUYBMTLZRNAX-UHFFFAOYSA-N 1 0 320.776 3.937 20 5 DHBDRO Cc1ccc([C@H](C)NCc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000181831410 1021361066 /nfs/dbraw/zinc/36/10/66/1021361066.db2.gz YQHYSIQVUYRXNO-LBPRGKRZSA-N 1 0 311.341 3.895 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000154616076 1021422608 /nfs/dbraw/zinc/42/26/08/1021422608.db2.gz AUJHEOUAAUGCTL-INIZCTEOSA-N 1 0 304.296 3.650 20 5 DHBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000744440703 1021546102 /nfs/dbraw/zinc/54/61/02/1021546102.db2.gz GTMRCDPALZELNZ-CZUORRHYSA-N 1 0 314.389 3.536 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1COC3(CCC3)C1)CCCC2 ZINC000850524040 1021577606 /nfs/dbraw/zinc/57/76/06/1021577606.db2.gz SQUZAROOCQVMAU-YOEHRIQHSA-N 1 0 316.401 3.664 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850530286 1021585833 /nfs/dbraw/zinc/58/58/33/1021585833.db2.gz YJGBPBFDIPFKEM-JBBXEZCESA-N 1 0 312.369 3.732 20 5 DHBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618984956 1021605421 /nfs/dbraw/zinc/60/54/21/1021605421.db2.gz NFZPWNYXAIFMEO-XNJGSVPQSA-N 1 0 318.417 3.722 20 5 DHBDRO COc1cccc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000158965318 1021611280 /nfs/dbraw/zinc/61/12/80/1021611280.db2.gz AJRTZLXUCKTCBF-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000541117834 1021658589 /nfs/dbraw/zinc/65/85/89/1021658589.db2.gz KGCYKZYAHSVMFI-NWANDNLSSA-N 1 0 304.390 3.614 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000290319454 1021794496 /nfs/dbraw/zinc/79/44/96/1021794496.db2.gz ODUQEVFCWGBEFD-ZFWWWQNUSA-N 1 0 312.369 3.730 20 5 DHBDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000556616465 1021795645 /nfs/dbraw/zinc/79/56/45/1021795645.db2.gz LYNJJEDMKKWATD-NSHDSACASA-N 1 0 304.394 3.776 20 5 DHBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000619782608 1021892828 /nfs/dbraw/zinc/89/28/28/1021892828.db2.gz GDVPLFOZSPXAFM-LBPRGKRZSA-N 1 0 306.387 3.776 20 5 DHBDRO CCC(CC)(CCO)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893089415 1021896984 /nfs/dbraw/zinc/89/69/84/1021896984.db2.gz CKLVNMXFBUOVPR-UHFFFAOYSA-N 1 0 314.813 3.527 20 5 DHBDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122664213 1021924346 /nfs/dbraw/zinc/92/43/46/1021924346.db2.gz GARCYVSVLRVCKD-JTQLQIEISA-N 1 0 302.827 3.822 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCC23CCCCC3)c1 ZINC000852310671 1022103140 /nfs/dbraw/zinc/10/31/40/1022103140.db2.gz RWARJLRFIVQHMI-SJORKVTESA-N 1 0 318.417 3.721 20 5 DHBDRO C[C@]12C[C@@H]3C[C@]([NH2+][C@H]4CC[C@H](C[N+](=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC001168984822 1022200024 /nfs/dbraw/zinc/20/00/24/1022200024.db2.gz AMCKPEBKVULKOW-WJWMFLMHSA-N 1 0 306.450 3.770 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001169007686 1022211787 /nfs/dbraw/zinc/21/17/87/1022211787.db2.gz PFMNIUXBYPCBOK-UBDQQSCGSA-N 1 0 302.418 3.748 20 5 DHBDRO COc1ccc(C[NH+]2CC(C)(C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC001169005747 1022212712 /nfs/dbraw/zinc/21/27/12/1022212712.db2.gz VSSLYCJJUJSBLC-UHFFFAOYSA-N 1 0 306.406 3.862 20 5 DHBDRO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169006882 1022213037 /nfs/dbraw/zinc/21/30/37/1022213037.db2.gz ZPJOAECLCLSNDL-QILLFSRXSA-N 1 0 304.434 3.981 20 5 DHBDRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168986708 1022216813 /nfs/dbraw/zinc/21/68/13/1022216813.db2.gz YQAKDULCYZKYOB-XKQJLSEDSA-N 1 0 308.397 3.948 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001169039718 1022222552 /nfs/dbraw/zinc/22/25/52/1022222552.db2.gz SPXIJRBSLXUUCP-IVMMDQJWSA-N 1 0 308.809 3.575 20 5 DHBDRO C[N@H+](Cc1cccc(Cl)c1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035288 1022222750 /nfs/dbraw/zinc/22/27/50/1022222750.db2.gz KARLPOILWUESCC-CMPLNLGQSA-N 1 0 317.216 3.871 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Cc3ccc(F)cc3)CC2)C1 ZINC001169036622 1022222956 /nfs/dbraw/zinc/22/29/56/1022222956.db2.gz PIGNRKLZRDBBNH-AEFFLSMTSA-N 1 0 320.408 3.526 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)C1 ZINC001169057500 1022232969 /nfs/dbraw/zinc/23/29/69/1022232969.db2.gz WDDAPLUWUDDOQH-HFBAOOFYSA-N 1 0 310.344 3.547 20 5 DHBDRO C[C@H]([NH3+])c1ccn(-c2nc3c(ccc4ccccc43)nc2Cl)n1 ZINC001169231988 1022317244 /nfs/dbraw/zinc/31/72/44/1022317244.db2.gz YFYCWOJVZZCNTI-JTQLQIEISA-N 1 0 323.787 3.642 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000090809943 1022461720 /nfs/dbraw/zinc/46/17/20/1022461720.db2.gz OVSWOLAROSFBBM-CZUORRHYSA-N 1 0 308.422 3.597 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000237746247 1022519889 /nfs/dbraw/zinc/51/98/89/1022519889.db2.gz OKGIVBPODPGGQS-UHFFFAOYSA-N 1 0 300.333 3.770 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173304035 1022688483 /nfs/dbraw/zinc/68/84/83/1022688483.db2.gz JEEDWCOFJKXKCS-MEDUHNTESA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@H]([NH2+][C@@H](CO)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417374320 1022707578 /nfs/dbraw/zinc/70/75/78/1022707578.db2.gz XZFGPYRRTAZRPP-XJKSGUPXSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@@H]([NH2+][C@H](CO)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000417372404 1022711939 /nfs/dbraw/zinc/71/19/39/1022711939.db2.gz VZHKXDSNGNVSKJ-CJNGLKHVSA-N 1 0 306.406 3.577 20 5 DHBDRO COCC[C@@H](C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417379459 1022714225 /nfs/dbraw/zinc/71/42/25/1022714225.db2.gz UORQAPOABZVRMN-DYVFJYSZSA-N 1 0 306.406 3.625 20 5 DHBDRO CC(C)(C)[NH+]1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804360918 1022825997 /nfs/dbraw/zinc/82/59/97/1022825997.db2.gz UPJGTZQJKJRBBN-UHFFFAOYSA-N 1 0 311.813 3.923 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856807711 1022874469 /nfs/dbraw/zinc/87/44/69/1022874469.db2.gz QUQYBFIYYFDNIV-VIFPVBQESA-N 1 0 323.607 3.922 20 5 DHBDRO CC(C)[NH+](CCNc1nc2ccc([N+](=O)[O-])cc2s1)C(C)C ZINC000743413298 1022976443 /nfs/dbraw/zinc/97/64/43/1022976443.db2.gz BEQDREATNDQKMP-UHFFFAOYSA-N 1 0 322.434 3.735 20 5 DHBDRO CO[C@@H](C)C[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000538718784 1033146099 /nfs/dbraw/zinc/14/60/99/1033146099.db2.gz NMUURFNIMIRQGL-AWEZNQCLSA-N 1 0 308.422 3.964 20 5 DHBDRO CC[C@H]([NH2+]CCSC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000178419271 1023597408 /nfs/dbraw/zinc/59/74/08/1023597408.db2.gz QBGWYBDXUZTUGP-NSHDSACASA-N 1 0 308.325 3.889 20 5 DHBDRO C[C@H]1C[C@H]1c1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000538728391 1033149872 /nfs/dbraw/zinc/14/98/72/1033149872.db2.gz QTGIECBFWPIHDZ-BLLLJJGKSA-N 1 0 312.369 3.870 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnc(C)s1 ZINC000786818066 1023731108 /nfs/dbraw/zinc/73/11/08/1023731108.db2.gz IVFMFVWXFNDQSW-XYOKQWHBSA-N 1 0 317.414 3.595 20 5 DHBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)C(C)C ZINC000112658120 1023815876 /nfs/dbraw/zinc/81/58/76/1023815876.db2.gz LNKGRBCFTFVUTA-AWEZNQCLSA-N 1 0 321.421 3.598 20 5 DHBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000788534723 1023907780 /nfs/dbraw/zinc/90/77/80/1023907780.db2.gz IZMILYNRHWEIKE-VFNWGFHPSA-N 1 0 321.420 3.623 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788642848 1023917612 /nfs/dbraw/zinc/91/76/12/1023917612.db2.gz DZYAFQGVQJSSPY-WDEREUQCSA-N 1 0 305.403 3.520 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788637931 1023917745 /nfs/dbraw/zinc/91/77/45/1023917745.db2.gz CGBKBQIBNDLUFE-QFYYESIMSA-N 1 0 315.348 3.654 20 5 DHBDRO COC[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000452110147 1023978920 /nfs/dbraw/zinc/97/89/20/1023978920.db2.gz YEJKFAHURGCQDG-CABCVRRESA-N 1 0 306.406 3.713 20 5 DHBDRO CC(C)CCCCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876887393 1033175271 /nfs/dbraw/zinc/17/52/71/1033175271.db2.gz WEECICPFOUHTBO-UHFFFAOYSA-N 1 0 308.426 3.691 20 5 DHBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876920651 1033184636 /nfs/dbraw/zinc/18/46/36/1033184636.db2.gz YWZXRPKVQUENTI-FPCDFSMTSA-N 1 0 320.437 3.689 20 5 DHBDRO CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000789364469 1024063608 /nfs/dbraw/zinc/06/36/08/1024063608.db2.gz WNZCOMWELORKRH-ACJLOTCBSA-N 1 0 314.385 3.541 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000268807109 1024166211 /nfs/dbraw/zinc/16/62/11/1024166211.db2.gz ACFYPBOTYIAQHU-GXFFZTMASA-N 1 0 320.311 3.603 20 5 DHBDRO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268895576 1024189443 /nfs/dbraw/zinc/18/94/43/1024189443.db2.gz OZQMMUJSMNTCPJ-NEPJUHHUSA-N 1 0 320.414 3.745 20 5 DHBDRO CC[C@H]([NH2+]CC1(CCO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268995373 1024216193 /nfs/dbraw/zinc/21/61/93/1024216193.db2.gz SQWYOQJGKGVDKF-INIZCTEOSA-N 1 0 306.406 3.578 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000269061966 1024231283 /nfs/dbraw/zinc/23/12/83/1024231283.db2.gz XZDNDUYFCUNWLD-GXSJLCMTSA-N 1 0 320.311 3.521 20 5 DHBDRO COC1CCC(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000531725787 1024282685 /nfs/dbraw/zinc/28/26/85/1024282685.db2.gz LKABKFJDDDCSCY-VQCLRJIVSA-N 1 0 306.406 3.759 20 5 DHBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000051650296 1024322893 /nfs/dbraw/zinc/32/28/93/1024322893.db2.gz LTQQAWXCEAFNNN-QGZVFWFLSA-N 1 0 300.333 3.853 20 5 DHBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000453147123 1024350807 /nfs/dbraw/zinc/35/08/07/1024350807.db2.gz ISIPVVCFJNTVOW-APHBMKBZSA-N 1 0 304.390 3.511 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCCOC1 ZINC000883351808 1024396442 /nfs/dbraw/zinc/39/64/42/1024396442.db2.gz MMQMGIFJHPAGMQ-FMKPAKJESA-N 1 0 306.406 3.759 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883351849 1024397485 /nfs/dbraw/zinc/39/74/85/1024397485.db2.gz NCQUFVJBPABOAW-UAGQMJEPSA-N 1 0 320.433 3.711 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883356151 1024400264 /nfs/dbraw/zinc/40/02/64/1024400264.db2.gz HBFCDCLIDCYILX-ZFWWWQNUSA-N 1 0 304.390 3.656 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000883353508 1024400607 /nfs/dbraw/zinc/40/06/07/1024400607.db2.gz VWKZGQPTVUMMON-FHLIZLRMSA-N 1 0 318.417 3.767 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)cccc1[N+](=O)[O-] ZINC000883365196 1024403694 /nfs/dbraw/zinc/40/36/94/1024403694.db2.gz WAALBXHBGPQNEQ-XKQJLSEDSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC3(COC3)CC2)cc1[N+](=O)[O-] ZINC000883378224 1024410693 /nfs/dbraw/zinc/41/06/93/1024410693.db2.gz DCVSNKWIPMMQMF-CYBMUJFWSA-N 1 0 304.390 3.513 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000453224619 1024410990 /nfs/dbraw/zinc/41/09/90/1024410990.db2.gz UAUDSXLUVZYBOW-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270631592 1024412968 /nfs/dbraw/zinc/41/29/68/1024412968.db2.gz MHODMACAZURGEI-TYNCELHUSA-N 1 0 320.414 3.819 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC2(COC2)CC1 ZINC000883389737 1024423302 /nfs/dbraw/zinc/42/33/02/1024423302.db2.gz XDXXSJOUEZFITF-NTEUORMPSA-N 1 0 316.401 3.547 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC2CCSCC2)cc1[N+](=O)[O-] ZINC000271195259 1024468923 /nfs/dbraw/zinc/46/89/23/1024468923.db2.gz YFLIIYRKXKLJGW-GFCCVEGCSA-N 1 0 324.446 3.787 20 5 DHBDRO CCCc1ncc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000453358591 1024481264 /nfs/dbraw/zinc/48/12/64/1024481264.db2.gz DWRVDDQJTPRXLW-INIZCTEOSA-N 1 0 315.373 3.703 20 5 DHBDRO CC(C)CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877038435 1033214221 /nfs/dbraw/zinc/21/42/21/1033214221.db2.gz PMEDWQJQOIWTIV-ZBCRRDGASA-N 1 0 322.453 3.935 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N1CCCC[C@@H]1C ZINC000532192720 1024573103 /nfs/dbraw/zinc/57/31/03/1024573103.db2.gz DWFDZRPKVVNCGZ-XHSDSOJGSA-N 1 0 319.449 3.817 20 5 DHBDRO COc1ccccc1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532204369 1024577085 /nfs/dbraw/zinc/57/70/85/1024577085.db2.gz XSEMGSMDRNBMQS-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000585754700 1024597155 /nfs/dbraw/zinc/59/71/55/1024597155.db2.gz VAFRMDOQJCJVTQ-UHFFFAOYSA-N 1 0 314.385 3.841 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)cccc1[N+](=O)[O-] ZINC000585765570 1024604149 /nfs/dbraw/zinc/60/41/49/1024604149.db2.gz SVMDXIIWAOFWJL-CYBMUJFWSA-N 1 0 324.384 3.673 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000585767909 1024605561 /nfs/dbraw/zinc/60/55/61/1024605561.db2.gz FCFGQEXIBVHJRI-KAPURRDVSA-N 1 0 316.401 3.501 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccoc1 ZINC000349250022 1024692624 /nfs/dbraw/zinc/69/26/24/1024692624.db2.gz XQCZOHRZLYZVMV-CYBMUJFWSA-N 1 0 306.387 3.848 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000103483368 1024693187 /nfs/dbraw/zinc/69/31/87/1024693187.db2.gz RIVZBMHTJRRMBG-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C2(C)CCCCC2)c([N+](=O)[O-])c1 ZINC001170294503 1024727652 /nfs/dbraw/zinc/72/76/52/1024727652.db2.gz AGTRQVAZRORSEV-ZDUSSCGKSA-N 1 0 306.406 3.847 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC001170304697 1024730806 /nfs/dbraw/zinc/73/08/06/1024730806.db2.gz FXLBEZZGMYSKHB-OLZOCXBDSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC001170290960 1024739734 /nfs/dbraw/zinc/73/97/34/1024739734.db2.gz FIALGTICDQCBMO-AWEZNQCLSA-N 1 0 314.385 3.633 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)CC2CC2)c([N+](=O)[O-])c1 ZINC001170321357 1024741953 /nfs/dbraw/zinc/74/19/53/1024741953.db2.gz ASGUVNBNHWLGQL-GFCCVEGCSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170347995 1024757086 /nfs/dbraw/zinc/75/70/86/1024757086.db2.gz UNJRKOODBWBGKX-MJBXVCDLSA-N 1 0 306.406 3.655 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH+]2CC3CCC(CC3)C2)c([N+](=O)[O-])c1 ZINC001170351646 1024759605 /nfs/dbraw/zinc/75/96/05/1024759605.db2.gz GNLVYFLUWPOFGD-WLYUNCDWSA-N 1 0 318.417 3.656 20 5 DHBDRO CCC(C)(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113331769 1024796586 /nfs/dbraw/zinc/79/65/86/1024796586.db2.gz MDKJZGLLCLOIJS-UHFFFAOYSA-N 1 0 305.403 3.997 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000792862128 1024807997 /nfs/dbraw/zinc/80/79/97/1024807997.db2.gz JPSSHJUFZBFSTL-UHFFFAOYSA-N 1 0 307.350 3.658 20 5 DHBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865936 1024812113 /nfs/dbraw/zinc/81/21/13/1024812113.db2.gz DLJVZRQJPTZDOZ-CQSZACIVSA-N 1 0 307.350 3.514 20 5 DHBDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000236853573 1025059465 /nfs/dbraw/zinc/05/94/65/1025059465.db2.gz ORBQDBPNWSNFIF-QWHCGFSZSA-N 1 0 312.435 3.730 20 5 DHBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000319064533 1025143997 /nfs/dbraw/zinc/14/39/97/1025143997.db2.gz XOUJMPOHWSXBHY-NSHDSACASA-N 1 0 313.348 3.675 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000897459604 1025359293 /nfs/dbraw/zinc/35/92/93/1025359293.db2.gz MUCFZRCDJPXTJK-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000897463322 1025366707 /nfs/dbraw/zinc/36/67/07/1025366707.db2.gz DYVBSORYLJKEJB-NSHDSACASA-N 1 0 319.792 3.845 20 5 DHBDRO COCc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000897465767 1025367737 /nfs/dbraw/zinc/36/77/37/1025367737.db2.gz HWKBOJJXGUCDLD-CQSZACIVSA-N 1 0 314.385 3.635 20 5 DHBDRO COC1(C[C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000897465674 1025368137 /nfs/dbraw/zinc/36/81/37/1025368137.db2.gz ZKTXTBXZNVZHOU-KGLIPLIRSA-N 1 0 306.406 3.636 20 5 DHBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886014618 1025439041 /nfs/dbraw/zinc/43/90/41/1025439041.db2.gz LUOLCDDZUXDLHV-LBPRGKRZSA-N 1 0 319.792 3.706 20 5 DHBDRO CC(C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000728926812 1025484433 /nfs/dbraw/zinc/48/44/33/1025484433.db2.gz WRGXGGMIPYBFIL-UHFFFAOYSA-N 1 0 318.348 3.638 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000886104424 1025506388 /nfs/dbraw/zinc/50/63/88/1025506388.db2.gz BQTYVEIIOLCVPV-CYBMUJFWSA-N 1 0 311.385 3.719 20 5 DHBDRO CC(C)COC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000054324829 1025519541 /nfs/dbraw/zinc/51/95/41/1025519541.db2.gz MHBQOKQLJIPTPW-AWEZNQCLSA-N 1 0 306.406 3.793 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000886247573 1025570685 /nfs/dbraw/zinc/57/06/85/1025570685.db2.gz VFERHJQNJJICRG-KRWDZBQOSA-N 1 0 323.396 3.760 20 5 DHBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000886242932 1025571391 /nfs/dbraw/zinc/57/13/91/1025571391.db2.gz JFHBCQPONVHVNI-SJORKVTESA-N 1 0 311.385 3.758 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H]3CCCO3)o2)cc1 ZINC000886315411 1025588811 /nfs/dbraw/zinc/58/88/11/1025588811.db2.gz LESSOSCNOMCLKG-OAHLLOKOSA-N 1 0 316.357 3.514 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886700586 1025810940 /nfs/dbraw/zinc/81/09/40/1025810940.db2.gz BXTYBKZWUWRAAA-ZFWWWQNUSA-N 1 0 304.390 3.513 20 5 DHBDRO CO[C@H]1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000076347837 1025865894 /nfs/dbraw/zinc/86/58/94/1025865894.db2.gz KRUDQKLCGHVLPN-INIZCTEOSA-N 1 0 323.392 3.557 20 5 DHBDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000886774104 1025895748 /nfs/dbraw/zinc/89/57/48/1025895748.db2.gz HRAPZLXHPUFKJG-PBHICJAKSA-N 1 0 318.417 3.985 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c2cccc3F)cc1F ZINC000886923096 1025979635 /nfs/dbraw/zinc/97/96/35/1025979635.db2.gz LLKZWANKPWMGNU-HNNXBMFYSA-N 1 0 304.296 3.650 20 5 DHBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000089667907 1026060925 /nfs/dbraw/zinc/06/09/25/1026060925.db2.gz HCDLSAYRHOIMIY-WMLDXEAASA-N 1 0 314.385 3.942 20 5 DHBDRO COC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000089668038 1026061651 /nfs/dbraw/zinc/06/16/51/1026061651.db2.gz RTAOXVRCMQJLPI-RHSMWYFYSA-N 1 0 314.385 3.942 20 5 DHBDRO C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000482631585 1026106060 /nfs/dbraw/zinc/10/60/60/1026106060.db2.gz SNLBIKNEEMLHGM-KFWWJZLASA-N 1 0 305.422 3.508 20 5 DHBDRO Cc1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000289727901 1026149073 /nfs/dbraw/zinc/14/90/73/1026149073.db2.gz HQCBSGMSQGOXNP-UHFFFAOYSA-N 1 0 311.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000747532692 1026415982 /nfs/dbraw/zinc/41/59/82/1026415982.db2.gz QTJYHOUGVLPSFB-INIZCTEOSA-N 1 0 324.808 3.641 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000513483093 1026518533 /nfs/dbraw/zinc/51/85/33/1026518533.db2.gz AVHOERNMVHULDB-HNNXBMFYSA-N 1 0 300.333 3.723 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCSC2)o1 ZINC000280212613 1026612161 /nfs/dbraw/zinc/61/21/61/1026612161.db2.gz WFHNVSHPSFRZKJ-LBPRGKRZSA-N 1 0 318.398 3.698 20 5 DHBDRO COc1ccc(C[NH2+]C[C@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000237194004 1026953638 /nfs/dbraw/zinc/95/36/38/1026953638.db2.gz SOLRRFHIPKNPRR-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO C[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000811483560 1027009067 /nfs/dbraw/zinc/00/90/67/1027009067.db2.gz HNQMJAQZTQWKEO-CYBMUJFWSA-N 1 0 319.188 3.560 20 5 DHBDRO CC(C)(C)OCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811476706 1027017125 /nfs/dbraw/zinc/01/71/25/1027017125.db2.gz PWDCRDPVCTUXRV-UHFFFAOYSA-N 1 0 321.204 3.806 20 5 DHBDRO CCCCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000362449646 1027211320 /nfs/dbraw/zinc/21/13/20/1027211320.db2.gz HWQZAICJEFLGAA-UHFFFAOYSA-N 1 0 306.406 3.684 20 5 DHBDRO C[C@@H]1c2ccsc2CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000573789301 1027329223 /nfs/dbraw/zinc/32/92/23/1027329223.db2.gz XGYBHJNHWVKIJR-GFCCVEGCSA-N 1 0 318.398 3.654 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC000562572136 1027505731 /nfs/dbraw/zinc/50/57/31/1027505731.db2.gz WZAAEWNMFKKERW-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO CC[C@H]([NH3+])CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423471791 1027558058 /nfs/dbraw/zinc/55/80/58/1027558058.db2.gz PZTZJJJKADQWCA-RYUDHWBXSA-N 1 0 319.430 3.711 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000576109785 1027563980 /nfs/dbraw/zinc/56/39/80/1027563980.db2.gz KHRNKXJGJSQZIT-CQSZACIVSA-N 1 0 313.401 3.927 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000576554750 1027631613 /nfs/dbraw/zinc/63/16/13/1027631613.db2.gz AIZIGWPYFPKUKC-HIFRSBDPSA-N 1 0 307.438 3.674 20 5 DHBDRO Cc1cc([C@@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000364017064 1027796437 /nfs/dbraw/zinc/79/64/37/1027796437.db2.gz ZFTSMRXURVFKBI-UKRRQHHQSA-N 1 0 314.389 3.567 20 5 DHBDRO Cc1ccc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000601155897 1028004994 /nfs/dbraw/zinc/00/49/94/1028004994.db2.gz NUGVSFXRADOKKQ-KRWDZBQOSA-N 1 0 318.417 3.732 20 5 DHBDRO C[NH+]1CCC2(CCCN(c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000814368038 1028021549 /nfs/dbraw/zinc/02/15/49/1028021549.db2.gz JCTXDICLEACHDN-UHFFFAOYSA-N 1 0 323.824 3.560 20 5 DHBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CO2 ZINC000563419504 1028037678 /nfs/dbraw/zinc/03/76/78/1028037678.db2.gz XTEAGYXWDLUHSE-HZPDHXFCSA-N 1 0 310.353 3.614 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000601285030 1028059096 /nfs/dbraw/zinc/05/90/96/1028059096.db2.gz LRXOIMMVXLHGCA-QBIMZIAESA-N 1 0 312.369 3.776 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000601286300 1028063001 /nfs/dbraw/zinc/06/30/01/1028063001.db2.gz XNVIZLKVCJLPFB-XWIAVFTESA-N 1 0 312.369 3.776 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000601305106 1028071962 /nfs/dbraw/zinc/07/19/62/1028071962.db2.gz VEADZAFPDFZZOV-ZDUSSCGKSA-N 1 0 312.369 3.518 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCc1ccco1 ZINC000449058974 1028295643 /nfs/dbraw/zinc/29/56/43/1028295643.db2.gz NKBKVNRESVQSJS-UONOGXRCSA-N 1 0 302.374 3.730 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2ccccc2C1 ZINC000449064920 1028302866 /nfs/dbraw/zinc/30/28/66/1028302866.db2.gz WZPVPWZRQSMUPS-RDTXWAMCSA-N 1 0 310.397 3.673 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1c(F)cccc1F ZINC000449093820 1028367641 /nfs/dbraw/zinc/36/76/41/1028367641.db2.gz YUPJRXGEKKGARK-GFCCVEGCSA-N 1 0 320.339 3.636 20 5 DHBDRO COc1cccc(CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000579300683 1028376387 /nfs/dbraw/zinc/37/63/87/1028376387.db2.gz UNISPPWRZVOMAV-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000216254459 1028389875 /nfs/dbraw/zinc/38/98/75/1028389875.db2.gz UXMJIAUFTHNMKN-LBPRGKRZSA-N 1 0 320.776 3.978 20 5 DHBDRO Cc1cnc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449174042 1028415968 /nfs/dbraw/zinc/41/59/68/1028415968.db2.gz GZKMDQQQBVERNH-ZYHUDNBSSA-N 1 0 305.403 3.642 20 5 DHBDRO CCOCCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449195986 1028433761 /nfs/dbraw/zinc/43/37/61/1028433761.db2.gz WCJSRLVULQFKKW-HNNXBMFYSA-N 1 0 320.433 3.712 20 5 DHBDRO Cc1ccnc([C@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000564582345 1028478483 /nfs/dbraw/zinc/47/84/83/1028478483.db2.gz CCPPDSMJDDGQQH-CABCVRRESA-N 1 0 311.385 3.849 20 5 DHBDRO C[C@H]1CCCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000187961809 1028487883 /nfs/dbraw/zinc/48/78/83/1028487883.db2.gz VUNDXRQOUZSHHU-ZDUSSCGKSA-N 1 0 315.373 3.872 20 5 DHBDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000009902481 1028524045 /nfs/dbraw/zinc/52/40/45/1028524045.db2.gz YEZXUCPFOIDZIB-QGZVFWFLSA-N 1 0 312.369 3.941 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582050 1028553995 /nfs/dbraw/zinc/55/39/95/1028553995.db2.gz WPIHUBGUJXUEHD-QMTHXVAHSA-N 1 0 315.398 3.675 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000565216568 1028556630 /nfs/dbraw/zinc/55/66/30/1028556630.db2.gz KGGKUUWFSYJHCU-SJORKVTESA-N 1 0 312.344 3.998 20 5 DHBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571298 1028564901 /nfs/dbraw/zinc/56/49/01/1028564901.db2.gz ZXGGBQZIGFIYQQ-YVEFUNNKSA-N 1 0 311.385 3.824 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000449349969 1028565529 /nfs/dbraw/zinc/56/55/29/1028565529.db2.gz STLZPPIHWNZWDF-KBPBESRZSA-N 1 0 306.406 3.698 20 5 DHBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449375559 1028585912 /nfs/dbraw/zinc/58/59/12/1028585912.db2.gz HPSVZYNPAUUUCB-CYBMUJFWSA-N 1 0 320.414 3.526 20 5 DHBDRO CC[C@@](C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OC ZINC000449473648 1028674679 /nfs/dbraw/zinc/67/46/79/1028674679.db2.gz HZMCUWYAKUEANB-KRWDZBQOSA-N 1 0 318.373 3.760 20 5 DHBDRO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449462326 1028682943 /nfs/dbraw/zinc/68/29/43/1028682943.db2.gz SJRMCMZTDZXNSP-CMPLNLGQSA-N 1 0 302.296 3.758 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC1(F)F ZINC000449491264 1028704999 /nfs/dbraw/zinc/70/49/99/1028704999.db2.gz GAMVYADFYVUXBU-TZMCWYRMSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000566750217 1028774780 /nfs/dbraw/zinc/77/47/80/1028774780.db2.gz NHOATKQPSJSHDM-CZUORRHYSA-N 1 0 304.390 3.737 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC[C@H]1CCCCO1 ZINC000566984121 1028815854 /nfs/dbraw/zinc/81/58/54/1028815854.db2.gz XBVAWUIRGQDUCN-CJNGLKHVSA-N 1 0 304.390 3.521 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2c1cccc2O ZINC000567061510 1028829024 /nfs/dbraw/zinc/82/90/24/1028829024.db2.gz YQUIUIPZWKCHHF-HOTGVXAUSA-N 1 0 310.353 3.565 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC12CCOCC2 ZINC000567752326 1028948940 /nfs/dbraw/zinc/94/89/40/1028948940.db2.gz GMNFWYYDLZMUIP-DOTOQJQBSA-N 1 0 316.401 3.521 20 5 DHBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000816646675 1028973526 /nfs/dbraw/zinc/97/35/26/1028973526.db2.gz HMJTWMZIHJDPJW-NWDGAFQWSA-N 1 0 316.357 3.704 20 5 DHBDRO COC[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000449774920 1028988914 /nfs/dbraw/zinc/98/89/14/1028988914.db2.gz LMQAVODKMAROPG-SFKKXYGYSA-N 1 0 318.417 3.747 20 5 DHBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411131477 1029044005 /nfs/dbraw/zinc/04/40/05/1029044005.db2.gz JPZVTHQCKFDERB-RDJZCZTQSA-N 1 0 300.333 3.722 20 5 DHBDRO C[C@H]([NH2+][C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000411496972 1029140362 /nfs/dbraw/zinc/14/03/62/1029140362.db2.gz YOAYCJKEDSDQFX-KNXALSJPSA-N 1 0 300.333 3.941 20 5 DHBDRO C[C@H](Nc1nccc2c1cccc2[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000450348971 1029389570 /nfs/dbraw/zinc/38/95/70/1029389570.db2.gz MSDICIUDYFAMON-LBPRGKRZSA-N 1 0 316.405 3.531 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCC(F)(F)C2)C2CC2)c1 ZINC000450497909 1029504448 /nfs/dbraw/zinc/50/44/48/1029504448.db2.gz GZFFDJCTARTLHH-ZDUSSCGKSA-N 1 0 310.344 3.995 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCCC1(F)F ZINC000450972981 1029753680 /nfs/dbraw/zinc/75/36/80/1029753680.db2.gz JPDQZVQSIHNIPV-CQSZACIVSA-N 1 0 312.360 3.895 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000451105894 1029792235 /nfs/dbraw/zinc/79/22/35/1029792235.db2.gz WPOKFIKXFZRSFY-KSSFIOAISA-N 1 0 314.385 3.503 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451429039 1029868763 /nfs/dbraw/zinc/86/87/63/1029868763.db2.gz YRIDMKWKCPQNSC-OXXUSNJHSA-N 1 0 318.417 3.590 20 5 DHBDRO COC1(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000451545934 1029906518 /nfs/dbraw/zinc/90/65/18/1029906518.db2.gz HYTSPCWGKXTLFA-INIZCTEOSA-N 1 0 318.417 3.733 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCC(F)(F)F)C2)cc1 ZINC000451547284 1029913854 /nfs/dbraw/zinc/91/38/54/1029913854.db2.gz LBFHNNHLLHCBIV-GFCCVEGCSA-N 1 0 302.296 3.727 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCC3CCOCC3)C2)cc1 ZINC000451554103 1029917266 /nfs/dbraw/zinc/91/72/66/1029917266.db2.gz ZGCNJWITCWHLDU-KRWDZBQOSA-N 1 0 318.417 3.591 20 5 DHBDRO CC(C)[C@@H](CO)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000451612758 1029947275 /nfs/dbraw/zinc/94/72/75/1029947275.db2.gz MUEHOBGMNYWYQM-XKQJLSEDSA-N 1 0 308.422 3.535 20 5 DHBDRO Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000530729649 1029990760 /nfs/dbraw/zinc/99/07/60/1029990760.db2.gz VZOWOXSAHITKSE-UHFFFAOYSA-N 1 0 300.333 3.821 20 5 DHBDRO CC(C)c1ccc(C[NH2+]Cc2ccnc(F)c2)cc1[N+](=O)[O-] ZINC000865721805 1029990733 /nfs/dbraw/zinc/99/07/33/1029990733.db2.gz GOLSLCZZIAFMIK-UHFFFAOYSA-N 1 0 303.337 3.542 20 5 DHBDRO C[C@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCOC1 ZINC000357345208 1030008262 /nfs/dbraw/zinc/00/82/62/1030008262.db2.gz NRSTWMLBAMECOL-KRWDZBQOSA-N 1 0 316.357 3.514 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000865782146 1030022689 /nfs/dbraw/zinc/02/26/89/1030022689.db2.gz MVSFPJRELHOZHE-GXTWGEPZSA-N 1 0 314.307 3.829 20 5 DHBDRO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963688 1030067535 /nfs/dbraw/zinc/06/75/35/1030067535.db2.gz HXZXBFZVKDLTAO-CZUORRHYSA-N 1 0 306.431 3.875 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000822812646 1030133518 /nfs/dbraw/zinc/13/35/18/1030133518.db2.gz JGVMJBIFQZGUPH-GXSJLCMTSA-N 1 0 303.189 3.829 20 5 DHBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CC1(Cl)Cl ZINC000823116157 1030214136 /nfs/dbraw/zinc/21/41/36/1030214136.db2.gz QLZMZOAJTYIZFT-LBPRGKRZSA-N 1 0 317.216 3.653 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCC(F)(F)CC1 ZINC000866309763 1030218543 /nfs/dbraw/zinc/21/85/43/1030218543.db2.gz BLXPXMUCRZFBSK-SNVBAGLBSA-N 1 0 316.323 3.832 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)cn1 ZINC000866313782 1030223438 /nfs/dbraw/zinc/22/34/38/1030223438.db2.gz HPDATHGKIMRPAA-JTQLQIEISA-N 1 0 323.755 3.503 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000866335734 1030237169 /nfs/dbraw/zinc/23/71/69/1030237169.db2.gz LMPHYNIKQALCRX-MNOVXSKESA-N 1 0 321.327 3.550 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000866403100 1030282149 /nfs/dbraw/zinc/28/21/49/1030282149.db2.gz QPCGIFHXGCQMDK-STQMWFEESA-N 1 0 324.446 3.787 20 5 DHBDRO Cc1scc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000866430040 1030294848 /nfs/dbraw/zinc/29/48/48/1030294848.db2.gz QQAQOYDKRYVDTF-SNVBAGLBSA-N 1 0 305.403 3.706 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000925231888 1030313918 /nfs/dbraw/zinc/31/39/18/1030313918.db2.gz VCUSKRVXSZLTTL-ZDRJDWQYSA-N 1 0 318.417 3.841 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000866487463 1030322189 /nfs/dbraw/zinc/32/21/89/1030322189.db2.gz YHEHQSGHBHANEF-RAIGVLPGSA-N 1 0 310.419 3.538 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000866510046 1030334724 /nfs/dbraw/zinc/33/47/24/1030334724.db2.gz IPTLZGHYVSLZHU-YEWWUXTCSA-N 1 0 318.417 3.759 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000866512100 1030338473 /nfs/dbraw/zinc/33/84/73/1030338473.db2.gz ZEPHGNSJXXUGAB-SZMVWBNQSA-N 1 0 318.417 3.841 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000866537465 1030357299 /nfs/dbraw/zinc/35/72/99/1030357299.db2.gz OMHRFYLWMINTBT-SZMVWBNQSA-N 1 0 318.417 3.698 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866544454 1030365661 /nfs/dbraw/zinc/36/56/61/1030365661.db2.gz RGFPUFNAZKXKKS-SECBINFHSA-N 1 0 301.337 3.509 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000925643527 1030432459 /nfs/dbraw/zinc/43/24/59/1030432459.db2.gz WIJDQFIQEXBJOZ-SFHVURJKSA-N 1 0 311.385 3.663 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000296664754 1030524209 /nfs/dbraw/zinc/52/42/09/1030524209.db2.gz FWGYMJTVANAJNK-LBPRGKRZSA-N 1 0 315.329 3.662 20 5 DHBDRO Cc1noc(C)c1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350447 1030564758 /nfs/dbraw/zinc/56/47/58/1030564758.db2.gz BRHRCTOGRILLTF-UHFFFAOYSA-N 1 0 303.362 3.610 20 5 DHBDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000291683370 1030596721 /nfs/dbraw/zinc/59/67/21/1030596721.db2.gz HXOHTXFJVOWWPW-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO Cc1c(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000358824928 1030638423 /nfs/dbraw/zinc/63/84/23/1030638423.db2.gz NXZZQYULPRKJTD-SCLBCKFNSA-N 1 0 311.385 3.881 20 5 DHBDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000558792061 1030809833 /nfs/dbraw/zinc/80/98/33/1030809833.db2.gz YKDGXEXADLAJBQ-HNNXBMFYSA-N 1 0 318.398 3.838 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)c2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000926796444 1030932514 /nfs/dbraw/zinc/93/25/14/1030932514.db2.gz NZYBKGUHIZRCBR-LLVKDONJSA-N 1 0 304.321 3.599 20 5 DHBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122995109 1030936418 /nfs/dbraw/zinc/93/64/18/1030936418.db2.gz UKGPIGJPVXSLGL-SECBINFHSA-N 1 0 313.195 3.588 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000559073709 1031091466 /nfs/dbraw/zinc/09/14/66/1031091466.db2.gz UXEFMSXGIPIONL-PKOBYXMFSA-N 1 0 310.397 3.873 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872023439 1031407874 /nfs/dbraw/zinc/40/78/74/1031407874.db2.gz HKCZWCBYOZFUFE-LRDDRELGSA-N 1 0 318.348 3.772 20 5 DHBDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039221 1031423650 /nfs/dbraw/zinc/42/36/50/1031423650.db2.gz DQFZBONLAWGAHR-LBPRGKRZSA-N 1 0 312.385 3.573 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000872041396 1031426118 /nfs/dbraw/zinc/42/61/18/1031426118.db2.gz HQRGWDBYMBIYBO-HYVNUMGLSA-N 1 0 306.406 3.841 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(F)(F)F ZINC000872043462 1031430287 /nfs/dbraw/zinc/43/02/87/1031430287.db2.gz YKTIBEVZZPXZAX-QMMMGPOBSA-N 1 0 308.325 3.920 20 5 DHBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000536839141 1031450849 /nfs/dbraw/zinc/45/08/49/1031450849.db2.gz MLEZDHSZZLASQI-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000872060418 1031454146 /nfs/dbraw/zinc/45/41/46/1031454146.db2.gz PWSMNSFWTRZSSJ-FRRDWIJNSA-N 1 0 324.446 3.782 20 5 DHBDRO C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063576 1031458087 /nfs/dbraw/zinc/45/80/87/1031458087.db2.gz XSFGVJWRCRKKPR-STQMWFEESA-N 1 0 310.369 3.734 20 5 DHBDRO Cc1cnc([C@H](C)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872063222 1031458709 /nfs/dbraw/zinc/45/87/09/1031458709.db2.gz VHJHZNBJWYAEBX-MWLCHTKSSA-N 1 0 323.393 3.953 20 5 DHBDRO C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063573 1031459254 /nfs/dbraw/zinc/45/92/54/1031459254.db2.gz XSFGVJWRCRKKPR-CHWSQXEVSA-N 1 0 310.369 3.734 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872068960 1031465210 /nfs/dbraw/zinc/46/52/10/1031465210.db2.gz KDRIQJDWXIBPTA-WFASDCNBSA-N 1 0 322.380 3.734 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CC1CCC1 ZINC000872070254 1031465297 /nfs/dbraw/zinc/46/52/97/1031465297.db2.gz YHDQOXRVCLZGLE-AAEUAGOBSA-N 1 0 324.446 3.518 20 5 DHBDRO C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069897 1031465567 /nfs/dbraw/zinc/46/55/67/1031465567.db2.gz RJLCCYRMTVBVRD-UPJWGTAASA-N 1 0 324.396 3.978 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872072643 1031469319 /nfs/dbraw/zinc/46/93/19/1031469319.db2.gz HZSWWWZVYZEFCI-NWDGAFQWSA-N 1 0 316.332 3.561 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C(C)(C)O ZINC000872074078 1031470171 /nfs/dbraw/zinc/47/01/71/1031470171.db2.gz VPQBANHALKDLPP-HZMBPMFUSA-N 1 0 312.435 3.517 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000872083814 1031479234 /nfs/dbraw/zinc/47/92/34/1031479234.db2.gz ALCNRQDXXCHZQV-VXGBXAGGSA-N 1 0 322.430 3.679 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000872084067 1031481610 /nfs/dbraw/zinc/48/16/10/1031481610.db2.gz GHIACKLZGBIKNS-GHMZBOCLSA-N 1 0 310.419 3.535 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCC(O)CC1 ZINC000872087466 1031482796 /nfs/dbraw/zinc/48/27/96/1031482796.db2.gz FEGOZWWASXJGMN-DCBWTQNWSA-N 1 0 324.446 3.518 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(C)(C)COC)cc1[N+](=O)[O-] ZINC000872104664 1031493622 /nfs/dbraw/zinc/49/36/22/1031493622.db2.gz MLGHGZFEZBBREK-CYBMUJFWSA-N 1 0 324.421 3.707 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872109274 1031500913 /nfs/dbraw/zinc/50/09/13/1031500913.db2.gz KDEYTGBDFMZMPH-UICACZKSSA-N 1 0 304.390 3.511 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC001171188576 1031622786 /nfs/dbraw/zinc/62/27/86/1031622786.db2.gz DBKAWXUIZQQDOO-RDBSUJKOSA-N 1 0 306.406 3.908 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccc(Cl)nc1 ZINC000873078469 1031704925 /nfs/dbraw/zinc/70/49/25/1031704925.db2.gz MTRPYZNQWIVJNT-UHFFFAOYSA-N 1 0 319.792 3.592 20 5 DHBDRO Cc1nn(C[N@H+]2CCCC[C@H]2CCC(C)C)c(C)c1[N+](=O)[O-] ZINC000760408147 1031707875 /nfs/dbraw/zinc/70/78/75/1031707875.db2.gz MZRWLYOIVPPTEI-HNNXBMFYSA-N 1 0 308.426 3.656 20 5 DHBDRO CSc1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)ccn1 ZINC000873100292 1031710469 /nfs/dbraw/zinc/71/04/69/1031710469.db2.gz NUXIKMCHERPDDF-UHFFFAOYSA-N 1 0 317.414 3.618 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943274 1031712117 /nfs/dbraw/zinc/71/21/17/1031712117.db2.gz YTNCNTCLVMQOSO-HWPZZCPQSA-N 1 0 315.348 3.654 20 5 DHBDRO Cc1c(C[NH2+]CCC2CC(OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000873114370 1031715757 /nfs/dbraw/zinc/71/57/57/1031715757.db2.gz CQCNLEVXFGMCHL-UHFFFAOYSA-N 1 0 320.433 3.977 20 5 DHBDRO CC(C)OC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000873167508 1031737194 /nfs/dbraw/zinc/73/71/94/1031737194.db2.gz WELZJEQRRIOABP-VMPITWQZSA-N 1 0 304.390 3.545 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000873184374 1031745345 /nfs/dbraw/zinc/74/53/45/1031745345.db2.gz NZJKHECJPQQNQA-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000873217908 1031764455 /nfs/dbraw/zinc/76/44/55/1031764455.db2.gz UMKODLZUDBLYRW-LSDHHAIUSA-N 1 0 317.776 3.675 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1Cl ZINC000846042035 1031838246 /nfs/dbraw/zinc/83/82/46/1031838246.db2.gz GFYGPXGPCUFLQI-INIZCTEOSA-N 1 0 324.808 3.543 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000846111252 1031863845 /nfs/dbraw/zinc/86/38/45/1031863845.db2.gz KUDGEMWBWVSORP-BETUJISGSA-N 1 0 320.295 3.552 20 5 DHBDRO CC[C@H]([NH2+]C[C@H]1CCCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000361345735 1031876956 /nfs/dbraw/zinc/87/69/56/1031876956.db2.gz JWXBSPHYPXXPNY-SJORKVTESA-N 1 0 305.422 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)c(F)c1 ZINC000898017806 1031919850 /nfs/dbraw/zinc/91/98/50/1031919850.db2.gz UCSFRXUYDSBOGJ-JTQLQIEISA-N 1 0 302.296 3.649 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC12CCCC2 ZINC000898110863 1031950850 /nfs/dbraw/zinc/95/08/50/1031950850.db2.gz IAVJZXIMBWWQQK-WMLDXEAASA-N 1 0 318.417 3.607 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)cc1Cl ZINC000898321886 1032019229 /nfs/dbraw/zinc/01/92/29/1032019229.db2.gz DRSVZJCQTOSVKH-INIZCTEOSA-N 1 0 317.776 3.884 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898321593 1032019672 /nfs/dbraw/zinc/01/96/72/1032019672.db2.gz SWTNKFXFNVAEIT-WMZOPIPTSA-N 1 0 309.369 3.718 20 5 DHBDRO CCCC[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777955694 1032038173 /nfs/dbraw/zinc/03/81/73/1032038173.db2.gz XQOGYGJKHUYIKI-UHFFFAOYSA-N 1 0 314.389 3.680 20 5 DHBDRO CC[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000477864691 1033358804 /nfs/dbraw/zinc/35/88/04/1033358804.db2.gz UWNONVWIOCZVIL-ROUUACIJSA-N 1 0 320.433 3.967 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927035433 1033392965 /nfs/dbraw/zinc/39/29/65/1033392965.db2.gz GNMIOVSMSUNSRU-WFASDCNBSA-N 1 0 318.442 3.990 20 5 DHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@]12C[C@@H]1CCCC2 ZINC000877686817 1033412697 /nfs/dbraw/zinc/41/26/97/1033412697.db2.gz YXVRFAXSCOADBR-NVGCLXPQSA-N 1 0 315.373 3.794 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCS2)cc1Cl ZINC000877698474 1033415914 /nfs/dbraw/zinc/41/59/14/1033415914.db2.gz WEAVARDUTLAEGX-LLVKDONJSA-N 1 0 300.811 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC23CCOCC3)cc1Cl ZINC000877728063 1033423421 /nfs/dbraw/zinc/42/34/21/1033423421.db2.gz LEGNABRNEDNAOT-ZDUSSCGKSA-N 1 0 324.808 3.545 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccccc1F)CC2 ZINC001172899265 1033435086 /nfs/dbraw/zinc/43/50/86/1033435086.db2.gz VWLVGNXOCHEFBV-MRXNPFEDSA-N 1 0 314.360 3.771 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[C@@H](F)CC1)CC2 ZINC001172896854 1033435246 /nfs/dbraw/zinc/43/52/46/1033435246.db2.gz SSWHQLQIMZQVCF-HRCADAONSA-N 1 0 306.381 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(CC3)CC1)CC2 ZINC001172903655 1033437890 /nfs/dbraw/zinc/43/78/90/1033437890.db2.gz IHDPDEPBXZOANG-MRXNPFEDSA-N 1 0 300.402 3.718 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(CC3CC3)CC1)CC2 ZINC001172904892 1033438174 /nfs/dbraw/zinc/43/81/74/1033438174.db2.gz GOKDZFPYBJGOCY-INIZCTEOSA-N 1 0 300.402 3.765 20 5 DHBDRO C[C@]1(F)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906116 1033438189 /nfs/dbraw/zinc/43/81/89/1033438189.db2.gz WILNKDKVPPEXOL-RDJZCZTQSA-N 1 0 306.381 3.666 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H](F)CC1)CC2 ZINC001172907095 1033440023 /nfs/dbraw/zinc/44/00/23/1033440023.db2.gz CVZOVIHBJDQWJZ-HZPDHXFCSA-N 1 0 306.381 3.666 20 5 DHBDRO C[N@H+](C1CC(F)(F)C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907665 1033441015 /nfs/dbraw/zinc/44/10/15/1033441015.db2.gz HIZXUWQLXHXLPD-ZDUSSCGKSA-N 1 0 310.344 3.572 20 5 DHBDRO CCc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000478353519 1033460442 /nfs/dbraw/zinc/46/04/42/1033460442.db2.gz CXFKUNZWIGPIRS-UHFFFAOYSA-N 1 0 308.765 3.736 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)CC2 ZINC001172895978 1033461713 /nfs/dbraw/zinc/46/17/13/1033461713.db2.gz KGLOUFVDIBOKRF-KGLIPLIRSA-N 1 0 310.344 3.620 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@]3(CC3(F)F)C1)CC2 ZINC001172917688 1033463754 /nfs/dbraw/zinc/46/37/54/1033463754.db2.gz WLAVDUHSEFJPKS-HOCLYGCPSA-N 1 0 322.355 3.573 20 5 DHBDRO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173410389 1033508251 /nfs/dbraw/zinc/50/82/51/1033508251.db2.gz ZJVYZFXOIMDEBK-CHWSQXEVSA-N 1 0 302.378 3.784 20 5 DHBDRO C[C@H]([N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000877954162 1033527722 /nfs/dbraw/zinc/52/77/22/1033527722.db2.gz VFCHUKRKGSCFDK-NSHDSACASA-N 1 0 318.377 3.511 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c1F ZINC001173175912 1033582016 /nfs/dbraw/zinc/58/20/16/1033582016.db2.gz UXUMZFTWWQOZGA-MBNYWOFBSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C2CCCCC2)c1F ZINC001173185934 1033584181 /nfs/dbraw/zinc/58/41/81/1033584181.db2.gz QCBDPONNFXLUEW-GFCCVEGCSA-N 1 0 324.396 3.938 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](CC2CC2)C(C)C)c1F ZINC001173188618 1033585001 /nfs/dbraw/zinc/58/50/01/1033585001.db2.gz GUTWGEZVQLJPCE-GFCCVEGCSA-N 1 0 324.396 3.794 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC3(CCC3)C2)c1F ZINC001173195163 1033587544 /nfs/dbraw/zinc/58/75/44/1033587544.db2.gz CNVGUAIOLNCWTJ-GFCCVEGCSA-N 1 0 322.380 3.550 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001173216512 1033597017 /nfs/dbraw/zinc/59/70/17/1033597017.db2.gz LONQZYFJGQOFNA-LLVKDONJSA-N 1 0 306.312 3.594 20 5 DHBDRO CCOc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173215097 1033597071 /nfs/dbraw/zinc/59/70/71/1033597071.db2.gz RWVWKZAFQLCCHQ-CQSZACIVSA-N 1 0 314.385 3.714 20 5 DHBDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215558 1033598648 /nfs/dbraw/zinc/59/86/48/1033598648.db2.gz WSMCDYDOJUQLPC-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(F)cc1F ZINC001173220052 1033600115 /nfs/dbraw/zinc/60/01/15/1033600115.db2.gz SISDLCJIOXEVJA-LBPRGKRZSA-N 1 0 320.339 3.636 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOc1ccccc1 ZINC001173231542 1033600564 /nfs/dbraw/zinc/60/05/64/1033600564.db2.gz AONAPIBCXUSRDA-HNNXBMFYSA-N 1 0 314.385 3.585 20 5 DHBDRO CC[C@H](C)C[N@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878164310 1033602732 /nfs/dbraw/zinc/60/27/32/1033602732.db2.gz IWOXXPRGTPZVFK-LBPRGKRZSA-N 1 0 318.377 3.513 20 5 DHBDRO C[C@H](COc1ccccc1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222671 1033603611 /nfs/dbraw/zinc/60/36/11/1033603611.db2.gz YOLUCMSDAGGEEL-HUUCEWRRSA-N 1 0 314.385 3.583 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001173229506 1033605543 /nfs/dbraw/zinc/60/55/43/1033605543.db2.gz VGRYZWUBFFYMPI-CHWSQXEVSA-N 1 0 312.360 3.893 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2sccc21 ZINC001173231086 1033605986 /nfs/dbraw/zinc/60/59/86/1033605986.db2.gz XHNBIOCHRKJTDA-NHYWBVRUSA-N 1 0 302.399 3.864 20 5 DHBDRO Cc1cc2c(cn1)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173226300 1033606180 /nfs/dbraw/zinc/60/61/80/1033606180.db2.gz XJBSRMOMNPOGLK-ACJLOTCBSA-N 1 0 311.385 3.506 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](Cc1ccco1)C1CC1 ZINC001173230283 1033606564 /nfs/dbraw/zinc/60/65/64/1033606564.db2.gz DNUGVCBCLIEQBW-ZDUSSCGKSA-N 1 0 300.358 3.783 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2c1cccc2C[NH3+] ZINC001173209196 1033610895 /nfs/dbraw/zinc/61/08/95/1033610895.db2.gz AIUXLSDKWAYIJA-ZDUSSCGKSA-N 1 0 309.369 3.812 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)ccc(F)c1F ZINC001173213836 1033614201 /nfs/dbraw/zinc/61/42/01/1033614201.db2.gz LBTXDNCXPBTWGK-SNVBAGLBSA-N 1 0 324.302 3.733 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2cc(C[NH3+])ccc21 ZINC001173211204 1033614471 /nfs/dbraw/zinc/61/44/71/1033614471.db2.gz RDLNLJCETIKTSI-ZDUSSCGKSA-N 1 0 309.369 3.812 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001173211413 1033614736 /nfs/dbraw/zinc/61/47/36/1033614736.db2.gz RUPNHXLHBLATFY-OLZOCXBDSA-N 1 0 324.384 3.768 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC001173214785 1033617293 /nfs/dbraw/zinc/61/72/93/1033617293.db2.gz QCVJGQGUOPSBOS-QWHCGFSZSA-N 1 0 300.358 3.582 20 5 DHBDRO Cc1c(F)nccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000862220668 1033783840 /nfs/dbraw/zinc/78/38/40/1033783840.db2.gz XPFDMLWILNGKHD-UHFFFAOYSA-N 1 0 317.364 3.848 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(F)c2C)cc1[N+](=O)[O-] ZINC000862284473 1033810645 /nfs/dbraw/zinc/81/06/45/1033810645.db2.gz ZORPQGRNNORMTF-LBPRGKRZSA-N 1 0 303.337 3.597 20 5 DHBDRO Cn1cccc1[C@@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000175127473 1033983041 /nfs/dbraw/zinc/98/30/41/1033983041.db2.gz YFDXIOCSDRACRO-AWEZNQCLSA-N 1 0 305.403 3.722 20 5 DHBDRO COCc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000178654418 1034254229 /nfs/dbraw/zinc/25/42/29/1034254229.db2.gz PYJQSDWEVHMGHH-LBPRGKRZSA-N 1 0 318.348 3.731 20 5 DHBDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000554721570 1034288274 /nfs/dbraw/zinc/28/82/74/1034288274.db2.gz CYNVRMYUKODVMH-UMWAGIMTSA-N 1 0 310.353 3.720 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880313429 1034292368 /nfs/dbraw/zinc/29/23/68/1034292368.db2.gz AOTWRBKIPQUURG-AAEUAGOBSA-N 1 0 303.387 3.602 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)cccc1[N+](=O)[O-] ZINC000480543822 1034310063 /nfs/dbraw/zinc/31/00/63/1034310063.db2.gz XQFRRUUAMXATSA-GJZGRUSLSA-N 1 0 307.438 3.530 20 5 DHBDRO Cc1c(C[NH2+][C@@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000179749928 1034333959 /nfs/dbraw/zinc/33/39/59/1034333959.db2.gz HFWXJLUWOQQLBH-KRWDZBQOSA-N 1 0 314.385 3.507 20 5 DHBDRO C[C@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480604622 1034346984 /nfs/dbraw/zinc/34/69/84/1034346984.db2.gz YXNJAZOZIUIHLF-OAGGEKHMSA-N 1 0 319.449 3.613 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1F ZINC000554846524 1034364170 /nfs/dbraw/zinc/36/41/70/1034364170.db2.gz AAXHTLMPONDMNS-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCC(C)C)CC1 ZINC000183293204 1034372963 /nfs/dbraw/zinc/37/29/63/1034372963.db2.gz NVYTYMLSILALTN-UHFFFAOYSA-N 1 0 306.406 3.540 20 5 DHBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183338540 1034377750 /nfs/dbraw/zinc/37/77/50/1034377750.db2.gz DGZYYIUHRNRFGC-KRWDZBQOSA-N 1 0 306.406 3.684 20 5 DHBDRO C[NH+](C)CCCOc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC001174477883 1034435429 /nfs/dbraw/zinc/43/54/29/1034435429.db2.gz AJRXEYNQQLNUGK-UHFFFAOYSA-N 1 0 315.373 3.669 20 5 DHBDRO CC[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183988470 1034437134 /nfs/dbraw/zinc/43/71/34/1034437134.db2.gz GKDSHCDYJIWBAI-IAGOWNOFSA-N 1 0 306.406 3.985 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000481183182 1034637483 /nfs/dbraw/zinc/63/74/83/1034637483.db2.gz QPBAFBTYTVQATP-YCPHGPKFSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000186724975 1034654955 /nfs/dbraw/zinc/65/49/55/1034654955.db2.gz VZCLJBMBVSYZOE-CMPLNLGQSA-N 1 0 305.403 3.814 20 5 DHBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000481210027 1034661739 /nfs/dbraw/zinc/66/17/39/1034661739.db2.gz VXOFXYMJLOWERY-MISXGVKJSA-N 1 0 310.369 3.657 20 5 DHBDRO CC(C)(C)c1csc(C[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000865477610 1034666545 /nfs/dbraw/zinc/66/65/45/1034666545.db2.gz XFIGCPJHSIZVGO-UHFFFAOYSA-N 1 0 319.430 3.681 20 5 DHBDRO O=[N+]([O-])c1ccc(CN(Cc2cnc(C3CC3)o2)C2CC2)cc1 ZINC000600112106 1034738801 /nfs/dbraw/zinc/73/88/01/1034738801.db2.gz OJYMZCYEMSLNGT-UHFFFAOYSA-N 1 0 313.357 3.625 20 5 DHBDRO Cc1ccc(C[NH+]2CC(Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000600215394 1034819172 /nfs/dbraw/zinc/81/91/72/1034819172.db2.gz JFPPTWQUFDXECS-UHFFFAOYSA-N 1 0 302.399 3.639 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCNc3ccccc32)cc1 ZINC000192827596 1034819701 /nfs/dbraw/zinc/81/97/01/1034819701.db2.gz UQNQEZLQMZHSBH-SFHVURJKSA-N 1 0 311.385 3.674 20 5 DHBDRO CC(C)OCCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193279486 1034839166 /nfs/dbraw/zinc/83/91/66/1034839166.db2.gz KVYJOJIMQRCSIZ-QGZVFWFLSA-N 1 0 306.406 3.767 20 5 DHBDRO Cc1c(C[N@@H+]2Cc3ccccc3C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000481734433 1034957340 /nfs/dbraw/zinc/95/73/40/1034957340.db2.gz KMOQORJIHUIXIT-UHFFFAOYSA-N 1 0 308.381 3.951 20 5 DHBDRO C[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000482631587 1035150933 /nfs/dbraw/zinc/15/09/33/1035150933.db2.gz SNLBIKNEEMLHGM-QLFBSQMISA-N 1 0 305.422 3.508 20 5 DHBDRO Cc1ccc(C[N@H+](Cc2ccccn2)CC(C)C)cc1[N+](=O)[O-] ZINC001176346919 1035245954 /nfs/dbraw/zinc/24/59/54/1035245954.db2.gz UFKVIBJYPMEXLH-UHFFFAOYSA-N 1 0 313.401 3.956 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSCC[C@@H]1C ZINC000483424816 1035268759 /nfs/dbraw/zinc/26/87/59/1035268759.db2.gz GEYUGRNJRNYPMM-UELRPHRMSA-N 1 0 306.431 3.826 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000161023070 1035283187 /nfs/dbraw/zinc/28/31/87/1035283187.db2.gz GNAFQHCXBGEJTQ-KBXCAEBGSA-N 1 0 314.385 3.678 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cccc1[N+](=O)[O-] ZINC000484150434 1035321317 /nfs/dbraw/zinc/32/13/17/1035321317.db2.gz YTRIUCNVWZKVSY-WMLDXEAASA-N 1 0 308.422 3.741 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000484481187 1035345561 /nfs/dbraw/zinc/34/55/61/1035345561.db2.gz DBESNXJQZGAHTR-OKZBNKHCSA-N 1 0 320.433 3.967 20 5 DHBDRO C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1cccc([N+](=O)[O-])c1 ZINC000924798894 1035421901 /nfs/dbraw/zinc/42/19/01/1035421901.db2.gz PTUYSJRVWBVAHF-MKQDKFQKSA-N 1 0 304.390 3.593 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CC=CCC1 ZINC001179359082 1035473633 /nfs/dbraw/zinc/47/36/33/1035473633.db2.gz NOJNPXZZRLECAG-CQSZACIVSA-N 1 0 304.390 3.830 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CC=CCC1 ZINC001179359081 1035473776 /nfs/dbraw/zinc/47/37/76/1035473776.db2.gz NOJNPXZZRLECAG-AWEZNQCLSA-N 1 0 304.390 3.830 20 5 DHBDRO COCCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494510134 1035533907 /nfs/dbraw/zinc/53/39/07/1035533907.db2.gz OFGIRJNGNBBDIN-SNVBAGLBSA-N 1 0 320.311 3.518 20 5 DHBDRO C[C@]1(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCO1 ZINC001179913628 1035547499 /nfs/dbraw/zinc/54/74/99/1035547499.db2.gz AUXOLNJZAHJWEJ-QGZVFWFLSA-N 1 0 304.390 3.518 20 5 DHBDRO CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC001193224721 1035587866 /nfs/dbraw/zinc/58/78/66/1035587866.db2.gz NEAJQNNHMAFPID-ZDUSSCGKSA-N 1 0 309.366 3.740 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1ccc(F)cc1 ZINC001180566511 1035723051 /nfs/dbraw/zinc/72/30/51/1035723051.db2.gz PAQXSCDVHPZPEJ-UHFFFAOYSA-N 1 0 302.349 3.983 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494705577 1035770327 /nfs/dbraw/zinc/77/03/27/1035770327.db2.gz XKWCTTWERMYXRU-DYVFJYSZSA-N 1 0 304.390 3.547 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC000539530066 1035772438 /nfs/dbraw/zinc/77/24/38/1035772438.db2.gz AHROKPBRKHRIAT-GFCCVEGCSA-N 1 0 310.357 3.630 20 5 DHBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907257 1035785307 /nfs/dbraw/zinc/78/53/07/1035785307.db2.gz WKVKEDDWHOLWGN-OLZOCXBDSA-N 1 0 315.373 3.870 20 5 DHBDRO CCS[C@H]1CC[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000076069434 1035805381 /nfs/dbraw/zinc/80/53/81/1035805381.db2.gz XAZWUZFMBOSXKP-NEPJUHHUSA-N 1 0 312.410 3.840 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000193023775 1035864834 /nfs/dbraw/zinc/86/48/34/1035864834.db2.gz JTIDENHKBJOLBK-HOTGVXAUSA-N 1 0 317.389 3.531 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000485719869 1035901717 /nfs/dbraw/zinc/90/17/17/1035901717.db2.gz WPLMDJMZUFFEAI-CYBMUJFWSA-N 1 0 300.358 3.796 20 5 DHBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC001194384231 1035916372 /nfs/dbraw/zinc/91/63/72/1035916372.db2.gz JTECZFDDJRODNC-CABCVRRESA-N 1 0 324.808 3.638 20 5 DHBDRO COC[C@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC001194478416 1035944116 /nfs/dbraw/zinc/94/41/16/1035944116.db2.gz VEUNVNARSUSKII-IRXDYDNUSA-N 1 0 320.433 3.693 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000485775646 1035949020 /nfs/dbraw/zinc/94/90/20/1035949020.db2.gz UXSJXSCOQDTILE-OAHLLOKOSA-N 1 0 317.433 3.524 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)C1CC1 ZINC000540287692 1036033741 /nfs/dbraw/zinc/03/37/41/1036033741.db2.gz FFFNISCAVFPQKG-OAHLLOKOSA-N 1 0 321.421 3.524 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000494819097 1036049898 /nfs/dbraw/zinc/04/98/98/1036049898.db2.gz AEBVQPZYTGZZNS-OAHLLOKOSA-N 1 0 324.808 3.639 20 5 DHBDRO CC1(C)C[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000540599977 1036110632 /nfs/dbraw/zinc/11/06/32/1036110632.db2.gz XBCCZFYVDUZIFG-LBPRGKRZSA-N 1 0 317.414 3.854 20 5 DHBDRO CCc1cnccc1[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540651411 1036125559 /nfs/dbraw/zinc/12/55/59/1036125559.db2.gz AHYOKRVTGOYLFZ-IQCBXXCUSA-N 1 0 311.385 3.916 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cccc3cccnc31)C2 ZINC000153281027 1036199697 /nfs/dbraw/zinc/19/96/97/1036199697.db2.gz DQUQYPAIYPSAEK-UHFFFAOYSA-N 1 0 319.364 3.701 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccccc1O ZINC000541387335 1036316195 /nfs/dbraw/zinc/31/61/95/1036316195.db2.gz MBWYGERQTAMTPU-ZDUSSCGKSA-N 1 0 300.358 3.536 20 5 DHBDRO COc1cc(C[NH2+][C@H](c2cccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000541582368 1036366054 /nfs/dbraw/zinc/36/60/54/1036366054.db2.gz VHOPDIZFTAJHMX-INIZCTEOSA-N 1 0 318.398 3.906 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000541568488 1036366268 /nfs/dbraw/zinc/36/62/68/1036366268.db2.gz SUDGBJUNFHTARZ-GXTWGEPZSA-N 1 0 324.446 3.930 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc(C)s2)cc1[N+](=O)[O-] ZINC000076342189 1036480314 /nfs/dbraw/zinc/48/03/14/1036480314.db2.gz CLTQWTWIYFBSLR-UHFFFAOYSA-N 1 0 306.387 3.605 20 5 DHBDRO Cc1ccc(C)c(C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)c1 ZINC000762069474 1036499177 /nfs/dbraw/zinc/49/91/77/1036499177.db2.gz WQVAKHRYHHXLMC-UHFFFAOYSA-N 1 0 324.384 3.651 20 5 DHBDRO CS[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001183146222 1036525616 /nfs/dbraw/zinc/52/56/16/1036525616.db2.gz RJIDJVLKRZKXOT-QCEMKRCNSA-N 1 0 320.458 3.790 20 5 DHBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C)c1)CCC(F)(F)F ZINC000491587777 1036613022 /nfs/dbraw/zinc/61/30/22/1036613022.db2.gz BRXZTTHDLQPEOJ-UHFFFAOYSA-N 1 0 319.327 3.589 20 5 DHBDRO CCOc1cc(C[N@H+](C)C[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000491651950 1036618531 /nfs/dbraw/zinc/61/85/31/1036618531.db2.gz DICVEWFJVFCMBQ-CQSZACIVSA-N 1 0 304.390 3.782 20 5 DHBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000495407653 1036620470 /nfs/dbraw/zinc/62/04/70/1036620470.db2.gz JIRUWDBDGHTEFT-CABCVRRESA-N 1 0 314.385 3.755 20 5 DHBDRO CCC1(CC)[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001183653167 1036640597 /nfs/dbraw/zinc/64/05/97/1036640597.db2.gz ZVMDVIDYBUIPRJ-KCXAZCMYSA-N 1 0 306.406 3.839 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@@H]2Cc2ccccc2)c(F)c1 ZINC001184337403 1036819913 /nfs/dbraw/zinc/81/99/13/1036819913.db2.gz GENLGQVWWZWVQY-JKSUJKDBSA-N 1 0 314.360 3.702 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3C[C@@H]3C3CCCC3)nc2c1 ZINC001184388399 1036831859 /nfs/dbraw/zinc/83/18/59/1036831859.db2.gz QDCAGYVGQAHVDM-GXTWGEPZSA-N 1 0 315.373 3.652 20 5 DHBDRO CC[NH+]1CCC(Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001184644765 1036918294 /nfs/dbraw/zinc/91/82/94/1036918294.db2.gz TUBDLXBMWFELHX-UHFFFAOYSA-N 1 0 317.311 3.510 20 5 DHBDRO C[C@]12C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252347 1036987169 /nfs/dbraw/zinc/98/71/69/1036987169.db2.gz RFCDBCMXTXJDLL-MAQMMGONSA-N 1 0 304.365 3.602 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000488411985 1037008919 /nfs/dbraw/zinc/00/89/19/1037008919.db2.gz NWEPXMLRQWVSLF-IUODEOHRSA-N 1 0 324.446 3.613 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000492829319 1037025503 /nfs/dbraw/zinc/02/55/03/1037025503.db2.gz KQNVNQMORGVHKH-ARFHVFGLSA-N 1 0 318.417 3.713 20 5 DHBDRO Cc1ccc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001185158106 1037047733 /nfs/dbraw/zinc/04/77/33/1037047733.db2.gz MQHQEAAIUVZRTD-CQSZACIVSA-N 1 0 305.422 3.826 20 5 DHBDRO CCC[C@@H]([NH2+]CC1(O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000315838973 1037060103 /nfs/dbraw/zinc/06/01/03/1037060103.db2.gz HKLMNSUQRYMDIV-MRXNPFEDSA-N 1 0 306.406 3.721 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H](c3ccccc3)CC2)c1 ZINC001198705825 1037113898 /nfs/dbraw/zinc/11/38/98/1037113898.db2.gz MLLQPZIWELQRRT-SFHVURJKSA-N 1 0 312.369 3.558 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000493108261 1037178949 /nfs/dbraw/zinc/17/89/49/1037178949.db2.gz VDSKHGMNOSNCCT-MRXNPFEDSA-N 1 0 324.808 3.641 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](CC[C@@H]2CCCCO2)C2CC2)c1 ZINC000347433047 1037194090 /nfs/dbraw/zinc/19/40/90/1037194090.db2.gz GJMVEDMJIVBBGT-KRWDZBQOSA-N 1 0 304.390 3.518 20 5 DHBDRO C[N@H+](CCOc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761511261 1037335759 /nfs/dbraw/zinc/33/57/59/1037335759.db2.gz PBGIRQYEAQLWFW-UHFFFAOYSA-N 1 0 320.776 3.759 20 5 DHBDRO COC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761511497 1037340111 /nfs/dbraw/zinc/34/01/11/1037340111.db2.gz KYMKXWWCFTZQOW-UHFFFAOYSA-N 1 0 312.797 3.638 20 5 DHBDRO Cc1cccc(OCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761516995 1037342060 /nfs/dbraw/zinc/34/20/60/1037342060.db2.gz PHEHLRKUGPWTLF-UHFFFAOYSA-N 1 0 320.776 3.725 20 5 DHBDRO CN(Cc1cccc2[nH]ccc21)Cc1ccc([N+](=O)[O-])cc1F ZINC000494018965 1037620597 /nfs/dbraw/zinc/62/05/97/1037620597.db2.gz RPDWUSWEYAASLJ-UHFFFAOYSA-N 1 0 313.332 3.847 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CC2CC2)C2CCCCC2)c1 ZINC000153944297 1037739040 /nfs/dbraw/zinc/73/90/40/1037739040.db2.gz MWQAAMHAENDWEP-GOSISDBHSA-N 1 0 318.417 3.673 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc2scnc2c1 ZINC001202227019 1038116711 /nfs/dbraw/zinc/11/67/11/1038116711.db2.gz IZLYDYSTEJHZBH-UHFFFAOYSA-N 1 0 313.382 3.537 20 5 DHBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000917041072 1038122965 /nfs/dbraw/zinc/12/29/65/1038122965.db2.gz YBOXJZKEXUXTGD-AWEZNQCLSA-N 1 0 312.369 3.593 20 5 DHBDRO CCOc1cc(NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000571368737 1038140784 /nfs/dbraw/zinc/14/07/84/1038140784.db2.gz UJXHPMCIKBVZDE-UHFFFAOYSA-N 1 0 321.421 3.527 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COc2ccccc2C1 ZINC000164320315 1038151687 /nfs/dbraw/zinc/15/16/87/1038151687.db2.gz KTQJTCDDJWNLFP-ZFWWWQNUSA-N 1 0 312.369 3.558 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCc1ccco1 ZINC000129606740 1038188116 /nfs/dbraw/zinc/18/81/16/1038188116.db2.gz OJIROHXNIOWDPV-WMLDXEAASA-N 1 0 314.385 3.731 20 5 DHBDRO CCCC[NH+]1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000164475431 1038200995 /nfs/dbraw/zinc/20/09/95/1038200995.db2.gz PWBVJIIVMGEHGV-HNNXBMFYSA-N 1 0 319.449 3.818 20 5 DHBDRO C[C@H](C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001190809487 1038379127 /nfs/dbraw/zinc/37/91/27/1038379127.db2.gz KFUMGFAGFXZAIV-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncc1 ZINC000572455877 1038380967 /nfs/dbraw/zinc/38/09/67/1038380967.db2.gz OQIMEFXUMYGFRQ-QGZVFWFLSA-N 1 0 324.384 3.755 20 5 DHBDRO C[C@H](CF)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000588930917 1038408786 /nfs/dbraw/zinc/40/87/86/1038408786.db2.gz ZOSYHGGWUGJWOR-CYBMUJFWSA-N 1 0 317.364 3.810 20 5 DHBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000589187855 1038445607 /nfs/dbraw/zinc/44/56/07/1038445607.db2.gz ZYIXGJCOQUATNG-PRLJZHDASA-N 1 0 318.417 3.624 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000589200246 1038448718 /nfs/dbraw/zinc/44/87/18/1038448718.db2.gz YAOKVPOMRWAKTB-HZPDHXFCSA-N 1 0 318.417 3.542 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000572535562 1038478003 /nfs/dbraw/zinc/47/80/03/1038478003.db2.gz GYCCSTCEKDPZAH-UHFFFAOYSA-N 1 0 322.767 3.762 20 5 DHBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589502097 1038487929 /nfs/dbraw/zinc/48/79/29/1038487929.db2.gz LWVYGEQTMWDFPE-OAHLLOKOSA-N 1 0 320.389 3.536 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000590158457 1038592986 /nfs/dbraw/zinc/59/29/86/1038592986.db2.gz GUUIQCLRVYPLBH-AWEZNQCLSA-N 1 0 314.307 3.988 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3F)o2)c1 ZINC000590196047 1038604491 /nfs/dbraw/zinc/60/44/91/1038604491.db2.gz KSIGLGYJWPJCPY-LSDHHAIUSA-N 1 0 304.321 3.835 20 5 DHBDRO CC(C)([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000775535895 1038674550 /nfs/dbraw/zinc/67/45/50/1038674550.db2.gz FLIXUWRODDVHIX-JTQLQIEISA-N 1 0 303.189 3.613 20 5 DHBDRO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000057877942 1038759971 /nfs/dbraw/zinc/75/99/71/1038759971.db2.gz JMALBFROSVVFQJ-UHFFFAOYSA-N 1 0 311.813 3.782 20 5 DHBDRO CCC(CC)[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000761288875 1038887153 /nfs/dbraw/zinc/88/71/53/1038887153.db2.gz VCMNCYKAMSGBFB-UHFFFAOYSA-N 1 0 316.405 3.863 20 5 DHBDRO COc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000598960898 1038956625 /nfs/dbraw/zinc/95/66/25/1038956625.db2.gz GYHHJSTVLDOQIM-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccncc2Cl)cc1 ZINC000598964635 1038960132 /nfs/dbraw/zinc/96/01/32/1038960132.db2.gz KCSRDLYYRGLCFW-UHFFFAOYSA-N 1 0 319.792 3.756 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC(OC(C)C)CC1 ZINC000598987636 1038966046 /nfs/dbraw/zinc/96/60/46/1038966046.db2.gz SCVVWJMWYPQFMC-UHFFFAOYSA-N 1 0 306.406 3.729 20 5 DHBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1C1CC1 ZINC000598974535 1038972078 /nfs/dbraw/zinc/97/20/78/1038972078.db2.gz RUCAHSCVKUIBNH-RLCCDNCMSA-N 1 0 313.401 3.643 20 5 DHBDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)nc1 ZINC000598991657 1038985446 /nfs/dbraw/zinc/98/54/46/1038985446.db2.gz QMDMBNWWQJFMGG-UHFFFAOYSA-N 1 0 313.401 3.674 20 5 DHBDRO Cc1ncccc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000599072737 1039027862 /nfs/dbraw/zinc/02/78/62/1039027862.db2.gz GTSNONISHAXWAV-QGZVFWFLSA-N 1 0 311.385 3.810 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000599073967 1039028551 /nfs/dbraw/zinc/02/85/51/1039028551.db2.gz OTGBNEZDUGHOPW-RHSMWYFYSA-N 1 0 317.433 3.571 20 5 DHBDRO CC(C)c1ccc(C[NH+]2CCC([C@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000593675641 1039037285 /nfs/dbraw/zinc/03/72/85/1039037285.db2.gz ADLGATBDGQAJJZ-CQSZACIVSA-N 1 0 320.433 3.559 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000046037609 1039061691 /nfs/dbraw/zinc/06/16/91/1039061691.db2.gz SMPVURRXGUBKSE-OAHLLOKOSA-N 1 0 318.398 3.872 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593695210 1039084181 /nfs/dbraw/zinc/08/41/81/1039084181.db2.gz IKZPEBYIAPLIJI-HNNXBMFYSA-N 1 0 310.344 3.949 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593715348 1039102189 /nfs/dbraw/zinc/10/21/89/1039102189.db2.gz JLUVXRGULYQHFM-MSOLQXFVSA-N 1 0 318.417 3.841 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCC1CC1)[C@H]1CC[C@H](O)CC1 ZINC000592130299 1039123973 /nfs/dbraw/zinc/12/39/73/1039123973.db2.gz AXGPPXPSQJVYFL-QAQDUYKDSA-N 1 0 318.417 3.500 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c(F)c1 ZINC000592373208 1039169690 /nfs/dbraw/zinc/16/96/90/1039169690.db2.gz FLPOIPDNJNVLPP-GDBMZVCRSA-N 1 0 300.333 3.627 20 5 DHBDRO Cc1c(C[N@H+](C)CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000603836721 1039175161 /nfs/dbraw/zinc/17/51/61/1039175161.db2.gz MSCFJDDIPVKXNM-UHFFFAOYSA-N 1 0 318.348 3.553 20 5 DHBDRO O=[N+]([O-])c1ncccc1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000603837261 1039177330 /nfs/dbraw/zinc/17/73/30/1039177330.db2.gz ABZVQIFNSZKJJG-UHFFFAOYSA-N 1 0 318.421 3.591 20 5 DHBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000603847240 1039183593 /nfs/dbraw/zinc/18/35/93/1039183593.db2.gz KRFHLEZWGCYHIN-PMPSAXMXSA-N 1 0 318.417 3.874 20 5 DHBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000603859671 1039193749 /nfs/dbraw/zinc/19/37/49/1039193749.db2.gz QOHSVNPFYYXICG-STQMWFEESA-N 1 0 309.385 3.514 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCC(F)(F)CC1 ZINC000592367640 1039359834 /nfs/dbraw/zinc/35/98/34/1039359834.db2.gz WDZMTVPYCPJDKU-UHFFFAOYSA-N 1 0 318.751 3.958 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594510818 1039812412 /nfs/dbraw/zinc/81/24/12/1039812412.db2.gz LGXSHXGIZVCQRH-CGTJXYLNSA-N 1 0 316.401 3.519 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)Cc1ccccn1 ZINC000594520052 1039826782 /nfs/dbraw/zinc/82/67/82/1039826782.db2.gz YGMKQOGLBSAKQX-YVGNARHYSA-N 1 0 311.385 3.614 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594520366 1039828956 /nfs/dbraw/zinc/82/89/56/1039828956.db2.gz NPACSSBLGGIFRY-HFTRVMKXSA-N 1 0 320.433 3.853 20 5 DHBDRO COCc1csc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000594925595 1039929783 /nfs/dbraw/zinc/92/97/83/1039929783.db2.gz OODOQODIHOOLIO-LLVKDONJSA-N 1 0 306.387 3.654 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027745 1039956655 /nfs/dbraw/zinc/95/66/55/1039956655.db2.gz ZFXLKPYNJPRCOU-YOEHRIQHSA-N 1 0 318.417 3.998 20 5 DHBDRO CCC(O)(CC)C(C)(C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594963262 1039968473 /nfs/dbraw/zinc/96/84/73/1039968473.db2.gz IEVDVSMIZKPWLC-LUAWRHEFSA-N 1 0 320.433 3.775 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)F)nc1 ZINC000595012560 1039974186 /nfs/dbraw/zinc/97/41/86/1039974186.db2.gz DBGGOMYIVOOENB-SNVBAGLBSA-N 1 0 307.300 3.778 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOC1CCCCC1 ZINC000595016982 1039976285 /nfs/dbraw/zinc/97/62/85/1039976285.db2.gz TYPJHQIZNHEBCZ-CYBMUJFWSA-N 1 0 322.405 3.603 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1(F)F ZINC000594982948 1039999864 /nfs/dbraw/zinc/99/98/64/1039999864.db2.gz DDCHMZKVJCCXIC-HNNXBMFYSA-N 1 0 322.311 3.990 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000594991231 1040006198 /nfs/dbraw/zinc/00/61/98/1040006198.db2.gz GNYBJPAVARBSFS-DPQIITEBSA-N 1 0 310.344 3.879 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000595006621 1040015830 /nfs/dbraw/zinc/01/58/30/1040015830.db2.gz MDQULXVKGFWWPS-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1sccc1C ZINC000595010537 1040019741 /nfs/dbraw/zinc/01/97/41/1040019741.db2.gz XSMRSHOABUTALF-NSHDSACASA-N 1 0 306.387 3.824 20 5 DHBDRO CSCC1(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000595067650 1040032405 /nfs/dbraw/zinc/03/24/05/1040032405.db2.gz HRBGTJLDSYKMCO-CQSZACIVSA-N 1 0 306.431 3.705 20 5 DHBDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000595029279 1040035703 /nfs/dbraw/zinc/03/57/03/1040035703.db2.gz YHLFXDDQDLFSOW-STQMWFEESA-N 1 0 322.405 3.613 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000595031488 1040038988 /nfs/dbraw/zinc/03/89/88/1040038988.db2.gz HNDHXQGQIWHGST-GHMZBOCLSA-N 1 0 321.402 3.514 20 5 DHBDRO COC1CC(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595047684 1040046918 /nfs/dbraw/zinc/04/69/18/1040046918.db2.gz FDNPMTXYAYOGDS-PVCYVWKFSA-N 1 0 318.417 3.767 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000595101944 1040066960 /nfs/dbraw/zinc/06/69/60/1040066960.db2.gz GOKISGJXBVJSFT-IYOUNJFTSA-N 1 0 314.385 3.676 20 5 DHBDRO Cc1ccncc1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595075768 1040068790 /nfs/dbraw/zinc/06/87/90/1040068790.db2.gz YFOKDOXRCYNUDD-GOSISDBHSA-N 1 0 311.385 3.508 20 5 DHBDRO COCc1csc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000595077056 1040068845 /nfs/dbraw/zinc/06/88/45/1040068845.db2.gz LDEHIRFANXGIHM-LBPRGKRZSA-N 1 0 320.414 3.962 20 5 DHBDRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000595080024 1040073866 /nfs/dbraw/zinc/07/38/66/1040073866.db2.gz NKSITKLELOWLEQ-ISTRZQFTSA-N 1 0 304.390 3.519 20 5 DHBDRO CCSC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595090788 1040074543 /nfs/dbraw/zinc/07/45/43/1040074543.db2.gz FZSXVBVGDXIBIB-OAHLLOKOSA-N 1 0 306.431 3.848 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000595092815 1040078188 /nfs/dbraw/zinc/07/81/88/1040078188.db2.gz XDSFYBVKFBRZTK-SJKOYZFVSA-N 1 0 312.369 3.947 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595349744 1040104379 /nfs/dbraw/zinc/10/43/79/1040104379.db2.gz DVCWICRVJZNGHQ-GFCCVEGCSA-N 1 0 318.348 3.503 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595349745 1040105644 /nfs/dbraw/zinc/10/56/44/1040105644.db2.gz DVCWICRVJZNGHQ-LBPRGKRZSA-N 1 0 318.348 3.503 20 5 DHBDRO Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595451391 1040144800 /nfs/dbraw/zinc/14/48/00/1040144800.db2.gz XKXFNWDCYUWDCV-LSDHHAIUSA-N 1 0 315.373 3.707 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CCCC3)CC2)c(F)c1 ZINC000063282631 1040171331 /nfs/dbraw/zinc/17/13/31/1040171331.db2.gz UIEUCFXDWJGKGR-UHFFFAOYSA-N 1 0 321.396 3.800 20 5 DHBDRO CC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000595765765 1040234574 /nfs/dbraw/zinc/23/45/74/1040234574.db2.gz NWBQFBZZCQJJBA-HNNXBMFYSA-N 1 0 301.346 3.528 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(F)c1 ZINC000595786547 1040254566 /nfs/dbraw/zinc/25/45/66/1040254566.db2.gz BHMJGLKLXITJGW-PBHICJAKSA-N 1 0 322.380 3.515 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595784472 1040254860 /nfs/dbraw/zinc/25/48/60/1040254860.db2.gz ABQGKRVGNJACAH-KDOFPFPSSA-N 1 0 318.417 3.937 20 5 DHBDRO CCSCC[C@H](C)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000174032436 1040500929 /nfs/dbraw/zinc/50/09/29/1040500929.db2.gz IOPHLDBOQBQRMF-NSHDSACASA-N 1 0 300.399 3.697 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000596650651 1040539090 /nfs/dbraw/zinc/53/90/90/1040539090.db2.gz JCTATWGIFSBRKM-YVEFUNNKSA-N 1 0 311.385 3.824 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000601321546 1040600122 /nfs/dbraw/zinc/60/01/22/1040600122.db2.gz SQGDNHJSIFUPTF-JKSUJKDBSA-N 1 0 314.389 3.757 20 5 DHBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+](C)C)cc1 ZINC000064114136 1040670711 /nfs/dbraw/zinc/67/07/11/1040670711.db2.gz CMPFNVDKOIZCCZ-SFHVURJKSA-N 1 0 313.401 3.926 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000597222725 1040703851 /nfs/dbraw/zinc/70/38/51/1040703851.db2.gz YMVKVIQDMQWHQH-LJDUOBFASA-N 1 0 300.402 3.694 20 5 DHBDRO C[C@H]([NH2+]CC[C@H]1CNc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000602019003 1040866418 /nfs/dbraw/zinc/86/64/18/1040866418.db2.gz DEOQCNZRFCFHRO-ZFWWWQNUSA-N 1 0 311.385 3.845 20 5 DHBDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CS1 ZINC000594504038 1040871869 /nfs/dbraw/zinc/87/18/69/1040871869.db2.gz FXLGLGFEMVLKNZ-ZWNOBZJWSA-N 1 0 314.838 3.664 20 5 DHBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000602441527 1041037140 /nfs/dbraw/zinc/03/71/40/1041037140.db2.gz OMLGSKAZLPCIFO-LLVKDONJSA-N 1 0 320.336 3.551 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC3=CCCCC3)nc2c1 ZINC000602504300 1041072776 /nfs/dbraw/zinc/07/27/76/1041072776.db2.gz UDWFOPOVGGHPPL-UHFFFAOYSA-N 1 0 301.346 3.716 20 5 DHBDRO CCc1ccc(C)[nH+]c1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602711202 1041173586 /nfs/dbraw/zinc/17/35/86/1041173586.db2.gz POANBRMEWCGOEZ-UHFFFAOYSA-N 1 0 312.329 3.614 20 5 DHBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000060876973 1041214086 /nfs/dbraw/zinc/21/40/86/1041214086.db2.gz DBTWLIQETLEBDZ-AWEZNQCLSA-N 1 0 306.406 3.874 20 5 DHBDRO Cc1cccc([C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000602805341 1041231625 /nfs/dbraw/zinc/23/16/25/1041231625.db2.gz KIBKRDJHADTVNL-HNNXBMFYSA-N 1 0 316.405 3.514 20 5 DHBDRO CC[C@@H](c1ccccc1)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602903825 1041302513 /nfs/dbraw/zinc/30/25/13/1041302513.db2.gz STLLNYYLJYHNHB-INIZCTEOSA-N 1 0 316.405 3.690 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)nc2c1 ZINC000083169746 185215536 /nfs/dbraw/zinc/21/55/36/185215536.db2.gz NEOQLJFXSOUUMG-CQSZACIVSA-N 1 0 323.352 3.726 20 5 DHBDRO C[C@H](CCCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000088762865 185264382 /nfs/dbraw/zinc/26/43/82/185264382.db2.gz BUCBCCGLYKIEPA-GFCCVEGCSA-N 1 0 320.414 3.574 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000090217367 185286883 /nfs/dbraw/zinc/28/68/83/185286883.db2.gz JEAZJYNQSFRPIF-VXGBXAGGSA-N 1 0 303.337 3.849 20 5 DHBDRO CC[C@@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000072684878 191213794 /nfs/dbraw/zinc/21/37/94/191213794.db2.gz HCYKVGVQRBOXNQ-OAHLLOKOSA-N 1 0 305.403 3.509 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000272670466 130051836 /nfs/dbraw/zinc/05/18/36/130051836.db2.gz SXBVOQXIPSTQLC-JTQLQIEISA-N 1 0 323.755 3.676 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC000272812461 130066507 /nfs/dbraw/zinc/06/65/07/130066507.db2.gz BYTYZGOKOMUDQD-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000273321800 130106757 /nfs/dbraw/zinc/10/67/57/130106757.db2.gz ZKTYFYMAEJNGCI-KKUMJFAQSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000274814222 130263642 /nfs/dbraw/zinc/26/36/42/130263642.db2.gz YNDZPLWDUWFJGX-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285228050 131149424 /nfs/dbraw/zinc/14/94/24/131149424.db2.gz PCUUHKFLHINMCH-QLJPJBMISA-N 1 0 315.348 3.654 20 5 DHBDRO COCc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119573661 132134517 /nfs/dbraw/zinc/13/45/17/132134517.db2.gz MJCVPZPUWDKVSZ-ZDUSSCGKSA-N 1 0 300.358 3.592 20 5 DHBDRO CC(C)c1ccc(CNCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000518269472 332003446 /nfs/dbraw/zinc/00/34/46/332003446.db2.gz BTCXNBMCVRBKHO-UHFFFAOYSA-N 1 0 319.449 3.684 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129754815 332020572 /nfs/dbraw/zinc/02/05/72/332020572.db2.gz DAXPGCUHRXMYHK-NSHDSACASA-N 1 0 314.817 3.566 20 5 DHBDRO COCC1(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCC1 ZINC000559322920 332025631 /nfs/dbraw/zinc/02/56/31/332025631.db2.gz BIFDMHGKVULJSW-RVDMUPIBSA-N 1 0 318.417 3.795 20 5 DHBDRO COc1cc(C)ccc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000449341997 332052989 /nfs/dbraw/zinc/05/29/89/332052989.db2.gz YEYXDSAQXJOSIZ-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO Cc1ccc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000363676435 332217290 /nfs/dbraw/zinc/21/72/90/332217290.db2.gz PMUJPSVNOREYFH-UHFFFAOYSA-N 1 0 311.385 3.678 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000584302233 332230399 /nfs/dbraw/zinc/23/03/99/332230399.db2.gz XDKTZIBBLGFRHX-IAGOWNOFSA-N 1 0 312.344 3.998 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC12CCCC2 ZINC000559753198 332279180 /nfs/dbraw/zinc/27/91/80/332279180.db2.gz XQNKWOAFBHSSDV-INIZCTEOSA-N 1 0 304.390 3.806 20 5 DHBDRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000151030353 332484069 /nfs/dbraw/zinc/48/40/69/332484069.db2.gz QZSCZBLISMPRMM-DIFFPNOSSA-N 1 0 300.333 3.757 20 5 DHBDRO Cc1ccccc1C(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580222529 333023910 /nfs/dbraw/zinc/02/39/10/333023910.db2.gz SCLTYWWIUKQKRI-UHFFFAOYSA-N 1 0 324.384 3.804 20 5 DHBDRO C[C@H]([NH2+]CCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180941072 333028894 /nfs/dbraw/zinc/02/88/94/333028894.db2.gz LHKVUCAIZBDKNT-AWEZNQCLSA-N 1 0 300.358 3.715 20 5 DHBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000378889942 333060400 /nfs/dbraw/zinc/06/04/00/333060400.db2.gz KPVIRZRNJMZVRK-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CCC(CC)[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000314289401 333098733 /nfs/dbraw/zinc/09/87/33/333098733.db2.gz XIISTHCKZGQOQZ-GUYCJALGSA-N 1 0 307.438 3.612 20 5 DHBDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000487189042 333116969 /nfs/dbraw/zinc/11/69/69/333116969.db2.gz PMIMTRVTOCEXPD-JOYOIKCWSA-N 1 0 302.296 3.892 20 5 DHBDRO CCOc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119702330 333256921 /nfs/dbraw/zinc/25/69/21/333256921.db2.gz UGZLAKLPSLUGIJ-CYBMUJFWSA-N 1 0 300.358 3.844 20 5 DHBDRO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000497814752 333296005 /nfs/dbraw/zinc/29/60/05/333296005.db2.gz ZGOSBVRNIGAXPJ-QGZVFWFLSA-N 1 0 317.364 3.658 20 5 DHBDRO O=[N+]([O-])c1ccccc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390705829 333316307 /nfs/dbraw/zinc/31/63/07/333316307.db2.gz QBZDVPBCBACICG-MRXNPFEDSA-N 1 0 311.385 3.671 20 5 DHBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2cccnc21 ZINC000365015579 333334459 /nfs/dbraw/zinc/33/44/59/333334459.db2.gz COBYBFWUWSFTJT-QGZVFWFLSA-N 1 0 311.385 3.542 20 5 DHBDRO CC[C@H](NCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000320737906 335134453 /nfs/dbraw/zinc/13/44/53/335134453.db2.gz YLCZINKXJZJFTB-SFHVURJKSA-N 1 0 319.449 3.758 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]C3CC(C)C3)o2)c([N+](=O)[O-])c1 ZINC000531445205 333354187 /nfs/dbraw/zinc/35/41/87/333354187.db2.gz ALQOWZYBQHDHPH-UHFFFAOYSA-N 1 0 316.357 3.752 20 5 DHBDRO CCOC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000319880846 333414677 /nfs/dbraw/zinc/41/46/77/333414677.db2.gz XHSBTCUUCOMUNA-CQSZACIVSA-N 1 0 306.406 3.903 20 5 DHBDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000283114210 333676818 /nfs/dbraw/zinc/67/68/18/333676818.db2.gz MNWAOUUUWJOXNN-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2ncccc12)C(C)(C)C[NH+](C)C ZINC000413168063 333834717 /nfs/dbraw/zinc/83/47/17/333834717.db2.gz WDFMVCDFFGZDGX-LBPRGKRZSA-N 1 0 316.405 3.531 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@H]1C ZINC000414150126 333903469 /nfs/dbraw/zinc/90/34/69/333903469.db2.gz PBHCXTHZVOBCSO-JRKPZEMJSA-N 1 0 302.296 3.748 20 5 DHBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000414152275 333903880 /nfs/dbraw/zinc/90/38/80/333903880.db2.gz XHQXRAAUJXOGJO-LXZKKBNFSA-N 1 0 304.390 3.518 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000414230723 333926655 /nfs/dbraw/zinc/92/66/55/333926655.db2.gz GOMVBKCRIKNXQG-PJSAGSTRSA-N 1 0 318.417 3.765 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414266908 333930460 /nfs/dbraw/zinc/93/04/60/333930460.db2.gz MOOZGDMKVZHTSG-MNOVXSKESA-N 1 0 304.312 3.704 20 5 DHBDRO COC1([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000414293669 333934858 /nfs/dbraw/zinc/93/48/58/333934858.db2.gz BRMJFLNRQDSVOP-BLLLJJGKSA-N 1 0 304.390 3.519 20 5 DHBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414478224 333992342 /nfs/dbraw/zinc/99/23/42/333992342.db2.gz FPQQPOVPXCEHEV-CYBMUJFWSA-N 1 0 318.373 3.617 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1nccs1 ZINC000414491694 333996111 /nfs/dbraw/zinc/99/61/11/333996111.db2.gz CWHSZIHTUXNUHL-KGTBHZDVSA-N 1 0 303.387 3.805 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1CNc1ccc(C[NH+](C)C)cc1F ZINC000414496251 333997432 /nfs/dbraw/zinc/99/74/32/333997432.db2.gz IGZSPMDFGLHKRO-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414514498 334003598 /nfs/dbraw/zinc/00/35/98/334003598.db2.gz LYWNDZYKDYZHJM-NFAWXSAZSA-N 1 0 306.406 3.621 20 5 DHBDRO C[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414529019 334008017 /nfs/dbraw/zinc/00/80/17/334008017.db2.gz PCBOGSVXOABZCA-MALLOTDXSA-N 1 0 302.296 3.786 20 5 DHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414615994 334042126 /nfs/dbraw/zinc/04/21/26/334042126.db2.gz HKDUMGPGARODRC-FPAJZGIOSA-N 1 0 316.361 3.584 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000571655633 334073503 /nfs/dbraw/zinc/07/35/03/334073503.db2.gz NSFYPWSOAFIJJA-USXIJHARSA-N 1 0 312.344 3.867 20 5 DHBDRO CCC[C@@H]([NH2+]CCC(OCC)OCC)c1cccc([N+](=O)[O-])c1 ZINC000276510926 334080435 /nfs/dbraw/zinc/08/04/35/334080435.db2.gz KQDVYOLNTULTFR-MRXNPFEDSA-N 1 0 324.421 3.815 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc([C@H](C)[NH3+])cc1 ZINC000414811765 334105159 /nfs/dbraw/zinc/10/51/59/334105159.db2.gz ONCMZWLBGGNGHK-LBPRGKRZSA-N 1 0 315.373 3.625 20 5 DHBDRO Cc1ccc2cc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)ccc2n1 ZINC000187641559 334266449 /nfs/dbraw/zinc/26/64/49/334266449.db2.gz XFFBYRXOYYSLCS-UHFFFAOYSA-N 1 0 321.380 3.784 20 5 DHBDRO C[C@H]([NH2+]CCOC1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000531969469 334327858 /nfs/dbraw/zinc/32/78/58/334327858.db2.gz KHBFWMJIBYIPCM-AWEZNQCLSA-N 1 0 306.406 3.985 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000531989703 334365157 /nfs/dbraw/zinc/36/51/57/334365157.db2.gz SSXYXFQAWRVDNP-OAHLLOKOSA-N 1 0 319.449 3.674 20 5 DHBDRO C[NH+](C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000341339851 334431692 /nfs/dbraw/zinc/43/16/92/334431692.db2.gz IDZZYKUEAYUCKN-LBPRGKRZSA-N 1 0 309.366 3.510 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000341354608 334440183 /nfs/dbraw/zinc/44/01/83/334440183.db2.gz QBRMTUCWURECAU-AWEZNQCLSA-N 1 0 319.336 3.576 20 5 DHBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417319234 334707965 /nfs/dbraw/zinc/70/79/65/334707965.db2.gz BKNOSPPCYXVRMB-YSVLISHTSA-N 1 0 304.390 3.519 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCSC1)CCCC2 ZINC000417325168 334708577 /nfs/dbraw/zinc/70/85/77/334708577.db2.gz DSCZBBYKNVTZAJ-LRDDRELGSA-N 1 0 306.431 3.705 20 5 DHBDRO CSC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417332107 334709436 /nfs/dbraw/zinc/70/94/36/334709436.db2.gz NJHAGGXJTUZWGH-HNNXBMFYSA-N 1 0 306.431 3.848 20 5 DHBDRO CS[C@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425343274 334803728 /nfs/dbraw/zinc/80/37/28/334803728.db2.gz RMWGKUYQTQMVBV-NEPJUHHUSA-N 1 0 320.336 3.597 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425958095 334864777 /nfs/dbraw/zinc/86/47/77/334864777.db2.gz LNBRVAPLUJMKBE-DZGCQCFKSA-N 1 0 324.371 3.941 20 5 DHBDRO CC[C@@H]1CCC[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000425996523 334898088 /nfs/dbraw/zinc/89/80/88/334898088.db2.gz QQHUZNBSENIXBN-CABCVRRESA-N 1 0 320.437 3.645 20 5 DHBDRO CCOCC(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000343972370 335209009 /nfs/dbraw/zinc/20/90/09/335209009.db2.gz DVMWUFHEAYWDJI-INIZCTEOSA-N 1 0 306.406 3.625 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCSc2ccccc21 ZINC000344044151 335211870 /nfs/dbraw/zinc/21/18/70/335211870.db2.gz FCTBHHRVGYZYLR-HNNXBMFYSA-N 1 0 314.410 3.964 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(CCC2)C1 ZINC000344217178 335235400 /nfs/dbraw/zinc/23/54/00/335235400.db2.gz MRMGPWNUPSEEKI-UHFFFAOYSA-N 1 0 304.390 3.758 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000344624955 335265029 /nfs/dbraw/zinc/26/50/29/335265029.db2.gz MHQMEXNSLFFQHX-LBPRGKRZSA-N 1 0 318.373 3.616 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC4(CCCC4)CC3)nc2c1 ZINC000444647289 338478485 /nfs/dbraw/zinc/47/84/85/338478485.db2.gz KXBAOKNURMLAFV-UHFFFAOYSA-N 1 0 314.389 3.627 20 5 DHBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000345696614 335342635 /nfs/dbraw/zinc/34/26/35/335342635.db2.gz VZTMCMWOECJBGY-PXAZEXFGSA-N 1 0 318.348 3.600 20 5 DHBDRO C[C@H](C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000346244788 335393974 /nfs/dbraw/zinc/39/39/74/335393974.db2.gz CLGXYRZNAVMVEP-SCXUMTSISA-N 1 0 317.414 3.800 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000444882673 338491321 /nfs/dbraw/zinc/49/13/21/338491321.db2.gz ZHZKOPHQHKZDLR-UHFFFAOYSA-N 1 0 309.797 3.535 20 5 DHBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000348676010 335599503 /nfs/dbraw/zinc/59/95/03/335599503.db2.gz BTXTWXDTDPNHOY-STQMWFEESA-N 1 0 315.373 3.719 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000166244535 335629075 /nfs/dbraw/zinc/62/90/75/335629075.db2.gz NITMPUDKPHPKAQ-VBNZEHGJSA-N 1 0 304.390 3.593 20 5 DHBDRO CC(C)Cn1cc[nH+]c1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000351568091 336045531 /nfs/dbraw/zinc/04/55/31/336045531.db2.gz LGOACPNOCUTZLV-UHFFFAOYSA-N 1 0 308.769 3.713 20 5 DHBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000331822697 336149966 /nfs/dbraw/zinc/14/99/66/336149966.db2.gz ZMWBQWWZSJRHNT-UHFFFAOYSA-N 1 0 302.378 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(F)cc1)CCC2 ZINC000192589233 336165233 /nfs/dbraw/zinc/16/52/33/336165233.db2.gz JNXJMGKYQAERBP-KRWDZBQOSA-N 1 0 300.333 3.901 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000332317054 336167676 /nfs/dbraw/zinc/16/76/76/336167676.db2.gz MWTWDSWNRDVVPW-CHWSQXEVSA-N 1 0 317.414 3.992 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000351971773 336184218 /nfs/dbraw/zinc/18/42/18/336184218.db2.gz WELYZFKSOQRYLX-WBVHZDCISA-N 1 0 317.433 3.524 20 5 DHBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352370651 336214725 /nfs/dbraw/zinc/21/47/25/336214725.db2.gz BPAVYRXJFNJGQY-KGLIPLIRSA-N 1 0 316.373 3.637 20 5 DHBDRO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000352652413 336228922 /nfs/dbraw/zinc/22/89/22/336228922.db2.gz NPZCYSZSCZHWMN-OAHLLOKOSA-N 1 0 306.406 3.719 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc3occc3c2)cc1[N+](=O)[O-] ZINC000352772572 336235405 /nfs/dbraw/zinc/23/54/05/336235405.db2.gz QZDGOSTVQDVUGE-UHFFFAOYSA-N 1 0 312.325 3.639 20 5 DHBDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352777576 336235954 /nfs/dbraw/zinc/23/59/54/336235954.db2.gz HKIJDFJMDITRNR-OAHLLOKOSA-N 1 0 315.373 3.582 20 5 DHBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000532531606 336253982 /nfs/dbraw/zinc/25/39/82/336253982.db2.gz UGSUWUBLQXXTCM-SRCQZFHVSA-N 1 0 306.406 3.757 20 5 DHBDRO CCOCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102418908 336287170 /nfs/dbraw/zinc/28/71/70/336287170.db2.gz FHZFBSJGJYGMRG-UHFFFAOYSA-N 1 0 320.414 3.840 20 5 DHBDRO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301083714 336288999 /nfs/dbraw/zinc/28/89/99/336288999.db2.gz INAWXBDKKWAHFN-UHFFFAOYSA-N 1 0 309.385 3.658 20 5 DHBDRO O=[N+]([O-])c1ccccc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000301202362 336294701 /nfs/dbraw/zinc/29/47/01/336294701.db2.gz PXSNTJSNPNMXHI-INIZCTEOSA-N 1 0 317.433 3.687 20 5 DHBDRO C[NH+](C)[C@@H](CNc1sccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000301919540 336338008 /nfs/dbraw/zinc/33/80/08/336338008.db2.gz CFOYUSAORKBISX-ZDUSSCGKSA-N 1 0 309.366 3.510 20 5 DHBDRO O=[N+]([O-])c1ccsc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000301979899 336341115 /nfs/dbraw/zinc/34/11/15/336341115.db2.gz GCLGOFBNNNPPCD-UHFFFAOYSA-N 1 0 317.414 3.517 20 5 DHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302031747 336344329 /nfs/dbraw/zinc/34/43/29/336344329.db2.gz CHYFRVVLBXZGMS-KGLIPLIRSA-N 1 0 303.406 3.660 20 5 DHBDRO Cc1cc(N2CCSC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302707334 336365957 /nfs/dbraw/zinc/36/59/57/336365957.db2.gz HEUKVGMXMKSNJA-NSHDSACASA-N 1 0 317.414 3.641 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+](C2CC2)CC1 ZINC000302837873 336371556 /nfs/dbraw/zinc/37/15/56/336371556.db2.gz XXYUKDWZCQRJBB-UHFFFAOYSA-N 1 0 309.797 3.595 20 5 DHBDRO CC(C)CCC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000514651269 336391488 /nfs/dbraw/zinc/39/14/88/336391488.db2.gz KTRJIYBABPGAQV-GFCCVEGCSA-N 1 0 304.394 3.776 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1cccc([N+](=O)[O-])c1 ZINC000353631168 336430354 /nfs/dbraw/zinc/43/03/54/336430354.db2.gz PFDIATXILJISCR-MRXNPFEDSA-N 1 0 310.357 3.712 20 5 DHBDRO CCC[C@H]([NH2+]CC1(CCO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000361806291 336773661 /nfs/dbraw/zinc/77/36/61/336773661.db2.gz GYPAKQQYJQIYPN-KRWDZBQOSA-N 1 0 320.433 3.968 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC23CCOCC3)ccc1Cl ZINC000376404605 337032753 /nfs/dbraw/zinc/03/27/53/337032753.db2.gz BBKFKCCCMHCXLL-HNNXBMFYSA-N 1 0 324.808 3.687 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000123021389 337034043 /nfs/dbraw/zinc/03/40/43/337034043.db2.gz HPDPEWZEHOEVCH-ACJLOTCBSA-N 1 0 314.385 3.972 20 5 DHBDRO COc1ccc2oc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000123498765 337048753 /nfs/dbraw/zinc/04/87/53/337048753.db2.gz OPXVTRCLDLMRHW-UHFFFAOYSA-N 1 0 312.325 3.639 20 5 DHBDRO Cc1cccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000582762742 337138215 /nfs/dbraw/zinc/13/82/15/337138215.db2.gz KLDDVSKKUXSHJY-KRWDZBQOSA-N 1 0 311.385 3.810 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccoc1C ZINC000175122378 337144565 /nfs/dbraw/zinc/14/45/65/337144565.db2.gz CQUJUBMIXSVXJT-UHFFFAOYSA-N 1 0 304.346 3.527 20 5 DHBDRO COC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000181085701 337179758 /nfs/dbraw/zinc/17/97/58/337179758.db2.gz ZGWBYYGEOFZERN-UHFFFAOYSA-N 1 0 316.357 3.514 20 5 DHBDRO CC[C@@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181715829 337183795 /nfs/dbraw/zinc/18/37/95/337183795.db2.gz BYPXHOSHKWDXEY-CVEARBPZSA-N 1 0 308.422 3.679 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cncc(C)c2)cc1[N+](=O)[O-] ZINC000181834962 337184783 /nfs/dbraw/zinc/18/47/83/337184783.db2.gz HLXSNOFQHZSIBR-CYBMUJFWSA-N 1 0 315.373 3.548 20 5 DHBDRO C[C@H]1C[C@@H](c2cccnc2)N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000185716540 337250830 /nfs/dbraw/zinc/25/08/30/337250830.db2.gz RLASTHYLZBVYSY-FZMZJTMJSA-N 1 0 303.387 3.634 20 5 DHBDRO CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncc1 ZINC000572455876 337661748 /nfs/dbraw/zinc/66/17/48/337661748.db2.gz OQIMEFXUMYGFRQ-KRWDZBQOSA-N 1 0 324.384 3.755 20 5 DHBDRO Cc1cc(N)cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000423488889 337722451 /nfs/dbraw/zinc/72/24/51/337722451.db2.gz ZLFNJWYWSRJMSU-SFHVURJKSA-N 1 0 311.385 3.653 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1COCc2ccccc21 ZINC000515221754 337982467 /nfs/dbraw/zinc/98/24/67/337982467.db2.gz OSSQGYPWDXYMMB-ACJLOTCBSA-N 1 0 312.369 3.825 20 5 DHBDRO CC[N@H+](CCNc1cccc(C)c1[N+](=O)[O-])CCC(F)(F)F ZINC000516196148 338006791 /nfs/dbraw/zinc/00/67/91/338006791.db2.gz OPELYKAQGAFCRD-UHFFFAOYSA-N 1 0 319.327 3.589 20 5 DHBDRO COCc1ccccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516313198 338009620 /nfs/dbraw/zinc/00/96/20/338009620.db2.gz NLDOAVSRMBNCBK-KRWDZBQOSA-N 1 0 312.369 3.518 20 5 DHBDRO C[C@H](c1ccco1)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000086235956 338014788 /nfs/dbraw/zinc/01/47/88/338014788.db2.gz MFLKQMYGTQDPJL-CYBMUJFWSA-N 1 0 300.358 3.956 20 5 DHBDRO COCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000426351443 338028434 /nfs/dbraw/zinc/02/84/34/338028434.db2.gz LCKRGXOXAPENGA-GOEBONIOSA-N 1 0 320.433 3.568 20 5 DHBDRO Cc1c(CN2Cc3ccccc3O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000429194446 338072881 /nfs/dbraw/zinc/07/28/81/338072881.db2.gz ZRVGIPBRMPYILP-CYBMUJFWSA-N 1 0 312.369 3.686 20 5 DHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000429668020 338087001 /nfs/dbraw/zinc/08/70/01/338087001.db2.gz NIZJLFKIECBTJF-XJKSGUPXSA-N 1 0 324.446 3.628 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000430208228 338101389 /nfs/dbraw/zinc/10/13/89/338101389.db2.gz AVRMUXDVXGMILJ-AWEZNQCLSA-N 1 0 314.385 3.839 20 5 DHBDRO C[NH+](C)[C@@H](CNc1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000432311845 338152663 /nfs/dbraw/zinc/15/26/63/338152663.db2.gz HKOACSCOLDLFAP-LBPRGKRZSA-N 1 0 309.753 3.556 20 5 DHBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433156936 338183420 /nfs/dbraw/zinc/18/34/20/338183420.db2.gz DFGLYVLDUVUXRD-SUYBPPKGSA-N 1 0 318.417 3.864 20 5 DHBDRO CC(C)OCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166626 338183733 /nfs/dbraw/zinc/18/37/33/338183733.db2.gz LAULPVSACSRQOG-INIZCTEOSA-N 1 0 306.406 3.722 20 5 DHBDRO CC(C)(C)[C@@H](CCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433222807 338186457 /nfs/dbraw/zinc/18/64/57/338186457.db2.gz XJVFBNSKNRWSPR-JKSUJKDBSA-N 1 0 320.433 3.704 20 5 DHBDRO CCC[C@@H](CCO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433286586 338189435 /nfs/dbraw/zinc/18/94/35/338189435.db2.gz VDPDHUVRXLGTOT-SUMWQHHRSA-N 1 0 320.433 3.706 20 5 DHBDRO Cc1cnc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000435589569 338242927 /nfs/dbraw/zinc/24/29/27/338242927.db2.gz SZBNKSSUYQZXRK-OAHLLOKOSA-N 1 0 318.421 3.507 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435730958 338246661 /nfs/dbraw/zinc/24/66/61/338246661.db2.gz HNTRBXCURCSCTG-KOMQPUFPSA-N 1 0 300.333 3.770 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000435780002 338248809 /nfs/dbraw/zinc/24/88/09/338248809.db2.gz TUSJISCSODZPSI-WKILWMFISA-N 1 0 312.369 3.639 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccc(F)cc1)CCC2 ZINC000447516544 338553607 /nfs/dbraw/zinc/55/36/07/338553607.db2.gz PDDJASIQOQRYSF-GOSISDBHSA-N 1 0 314.360 3.944 20 5 DHBDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447532627 338554745 /nfs/dbraw/zinc/55/47/45/338554745.db2.gz WQTGAUIJIVQZOM-KLHDSHLOSA-N 1 0 320.437 3.691 20 5 DHBDRO CCCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447579429 338558821 /nfs/dbraw/zinc/55/88/21/338558821.db2.gz KRSNFBYMKGIPOB-GJZGRUSLSA-N 1 0 320.437 3.835 20 5 DHBDRO CCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447589387 338559829 /nfs/dbraw/zinc/55/98/29/338559829.db2.gz XSZKOSPFNATCTG-HUUCEWRRSA-N 1 0 320.437 3.835 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(F)ccc1F ZINC000449128627 338595817 /nfs/dbraw/zinc/59/58/17/338595817.db2.gz SVKSUXKFISQFDT-LLVKDONJSA-N 1 0 306.312 3.594 20 5 DHBDRO C[C@H](Cc1ccoc1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000449178203 338599766 /nfs/dbraw/zinc/59/97/66/338599766.db2.gz WYLGJDKJJBMNQQ-CQSZACIVSA-N 1 0 302.374 3.731 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000449193162 338601219 /nfs/dbraw/zinc/60/12/19/338601219.db2.gz VKZSJZYOZBRYKP-LCPZFUNLSA-N 1 0 322.408 3.701 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449349934 338616245 /nfs/dbraw/zinc/61/62/45/338616245.db2.gz SFISQXFHIBRUPG-QSPRXWTASA-N 1 0 318.417 3.841 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449349933 338616316 /nfs/dbraw/zinc/61/63/16/338616316.db2.gz SFISQXFHIBRUPG-QMCVQRASSA-N 1 0 318.417 3.841 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449424558 338623168 /nfs/dbraw/zinc/62/31/68/338623168.db2.gz JRFWFFXXJBDHJH-CXAGYDPISA-N 1 0 312.369 3.905 20 5 DHBDRO CO[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000449487017 338629937 /nfs/dbraw/zinc/62/99/37/338629937.db2.gz WGOVJGXNNJURKI-GOSISDBHSA-N 1 0 314.385 3.555 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000450686217 338699130 /nfs/dbraw/zinc/69/91/30/338699130.db2.gz MSHBWYSZYGXNLV-ZBFHGGJFSA-N 1 0 314.385 3.503 20 5 DHBDRO Cc1cc(N2CCC(CF)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450691878 338699559 /nfs/dbraw/zinc/69/95/59/338699559.db2.gz ZFRGEVXGQXONDX-UHFFFAOYSA-N 1 0 303.337 3.637 20 5 DHBDRO C[C@H](CCCc1cccnc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000453116036 338795708 /nfs/dbraw/zinc/79/57/08/338795708.db2.gz XPXDLBQKLFMBGV-OAHLLOKOSA-N 1 0 313.401 3.533 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(Cc2ccccc2)CC1 ZINC000453204663 338807547 /nfs/dbraw/zinc/80/75/47/338807547.db2.gz WCHSRTRJZQDJMR-HNNXBMFYSA-N 1 0 310.397 3.891 20 5 DHBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000453338976 338827436 /nfs/dbraw/zinc/82/74/36/338827436.db2.gz BGVBAJVRTZCKQJ-LQAWEQHXSA-N 1 0 318.417 3.720 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000459762356 339046971 /nfs/dbraw/zinc/04/69/71/339046971.db2.gz BMENGKIWSHQHBE-LJWDBELGSA-N 1 0 314.307 3.892 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)o1 ZINC000459774691 339047815 /nfs/dbraw/zinc/04/78/15/339047815.db2.gz WJPKWXIYQPAXID-AAEUAGOBSA-N 1 0 316.382 3.545 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCCF ZINC000462820396 339091929 /nfs/dbraw/zinc/09/19/29/339091929.db2.gz YMKOSEFQUUJTNW-GFCCVEGCSA-N 1 0 300.399 3.805 20 5 DHBDRO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H](C)OC ZINC000462828718 339092944 /nfs/dbraw/zinc/09/29/44/339092944.db2.gz ZHAAEJRHQPRHIV-ZDUSSCGKSA-N 1 0 318.373 3.712 20 5 DHBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000463027217 339101279 /nfs/dbraw/zinc/10/12/79/339101279.db2.gz CVHBEXPHEJRIPD-APHBMKBZSA-N 1 0 306.406 3.838 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)CCO2 ZINC000463190563 339108637 /nfs/dbraw/zinc/10/86/37/339108637.db2.gz FKXZXJHDGVBWRJ-YJBOKZPZSA-N 1 0 324.380 3.593 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000464104193 339134532 /nfs/dbraw/zinc/13/45/32/339134532.db2.gz KOWTZWJYLFVMJO-OAHLLOKOSA-N 1 0 310.369 3.753 20 5 DHBDRO COc1cc(C[NH2+]C2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000464493031 339143436 /nfs/dbraw/zinc/14/34/36/339143436.db2.gz FMXSIACXOWJMGC-GHMZBOCLSA-N 1 0 310.369 3.657 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464678730 339148674 /nfs/dbraw/zinc/14/86/74/339148674.db2.gz GQZNBJDTYJCKIT-LBPRGKRZSA-N 1 0 310.369 3.611 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467336399 339232210 /nfs/dbraw/zinc/23/22/10/339232210.db2.gz WSGSUXJGRJWTQL-QSPRXWTASA-N 1 0 318.417 3.841 20 5 DHBDRO C[C@H](NCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000467837250 339247221 /nfs/dbraw/zinc/24/72/21/339247221.db2.gz ZFXJXZOSJJDWMT-AWEZNQCLSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467837137 339247276 /nfs/dbraw/zinc/24/72/76/339247276.db2.gz XSEMVSWXYJNGDD-OLZOCXBDSA-N 1 0 318.348 3.852 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](C)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467835779 339247291 /nfs/dbraw/zinc/24/72/91/339247291.db2.gz YTVNYBRINDYHRD-HUUCEWRRSA-N 1 0 313.401 3.770 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000468002347 339250885 /nfs/dbraw/zinc/25/08/85/339250885.db2.gz DTAKVAGBZOYQLH-SNVBAGLBSA-N 1 0 324.302 3.905 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000468004872 339251013 /nfs/dbraw/zinc/25/10/13/339251013.db2.gz MGZLMUJLRUGBTG-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@H](CCc1ccc(F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000468444687 339263016 /nfs/dbraw/zinc/26/30/16/339263016.db2.gz RHUDHTLVLMJBNX-CQSZACIVSA-N 1 0 316.376 3.887 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccncc1 ZINC000468553575 339266098 /nfs/dbraw/zinc/26/60/98/339266098.db2.gz LSMQSUCECARLME-CABCVRRESA-N 1 0 313.401 3.532 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C1CCCCC1 ZINC000468627839 339267389 /nfs/dbraw/zinc/26/73/89/339267389.db2.gz OTDPMNBHQVPPGZ-BLSFAOBESA-N 1 0 318.417 3.529 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CC(C)C)N(C)C ZINC000468654865 339268134 /nfs/dbraw/zinc/26/81/34/339268134.db2.gz CTAVHUDVAAZDOV-KAPURRDVSA-N 1 0 319.449 3.564 20 5 DHBDRO COCC[C@H]1CCCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000468692167 339268700 /nfs/dbraw/zinc/26/87/00/339268700.db2.gz ZZEZSZSFDZWVFN-CXOKCQFOSA-N 1 0 318.417 3.747 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC1CCOCC1 ZINC000470178618 339312990 /nfs/dbraw/zinc/31/29/90/339312990.db2.gz LLAVVDQHCBSKPA-NTCAYCPXSA-N 1 0 318.417 3.747 20 5 DHBDRO CC[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCS1 ZINC000470183904 339313245 /nfs/dbraw/zinc/31/32/45/339313245.db2.gz SVOCJPFCNZDDLI-RCBBPTIPSA-N 1 0 306.431 3.826 20 5 DHBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000471522762 339346759 /nfs/dbraw/zinc/34/67/59/339346759.db2.gz PAEIEVOLAHAAFT-WCQYABFASA-N 1 0 311.813 3.557 20 5 DHBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000474799152 339426659 /nfs/dbraw/zinc/42/66/59/339426659.db2.gz NIYNGFKDUSSHEZ-WMZOPIPTSA-N 1 0 320.433 3.712 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000488545060 339787139 /nfs/dbraw/zinc/78/71/39/339787139.db2.gz OIFFQDOTOSNDBV-DZGCQCFKSA-N 1 0 308.447 3.913 20 5 DHBDRO COc1cc(C[NH2+]C2(c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000492974860 339913889 /nfs/dbraw/zinc/91/38/89/339913889.db2.gz ZMZPJCBKWXUZOP-UHFFFAOYSA-N 1 0 316.332 3.521 20 5 DHBDRO C[C@H](CC1CC1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494511151 339951976 /nfs/dbraw/zinc/95/19/76/339951976.db2.gz NUDIQSOUSZEKLG-SECBINFHSA-N 1 0 302.296 3.892 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000495176964 339977933 /nfs/dbraw/zinc/97/79/33/339977933.db2.gz VFIRICBYZGYQMX-AWEZNQCLSA-N 1 0 306.406 3.765 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000497112394 340020550 /nfs/dbraw/zinc/02/05/50/340020550.db2.gz DZUBLUOGVOSYEI-QAPCUYQASA-N 1 0 320.433 3.701 20 5 DHBDRO CN(Cc1ccccc1[N+](=O)[O-])c1cc[nH+]c2cc(F)ccc21 ZINC000500457931 340059543 /nfs/dbraw/zinc/05/95/43/340059543.db2.gz OSCOALSZGNQXGD-UHFFFAOYSA-N 1 0 311.316 3.919 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000500461545 340059662 /nfs/dbraw/zinc/05/96/62/340059662.db2.gz NNODCXBEVDNSBW-ZIAGYGMSSA-N 1 0 314.332 3.543 20 5 DHBDRO COCC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000502530949 340107058 /nfs/dbraw/zinc/10/70/58/340107058.db2.gz QNDBGVHOTBNMSM-MRXNPFEDSA-N 1 0 318.417 3.724 20 5 DHBDRO CCSCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000502573855 340108137 /nfs/dbraw/zinc/10/81/37/340108137.db2.gz FNHAAZPDXABZOE-OAHLLOKOSA-N 1 0 308.447 3.649 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000504896211 340154976 /nfs/dbraw/zinc/15/49/76/340154976.db2.gz XHHIPQQAJONJQQ-DUVNUKRYSA-N 1 0 322.405 3.602 20 5 DHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507000972 340205206 /nfs/dbraw/zinc/20/52/06/340205206.db2.gz GTVOXVNNVQAJCC-RHSMWYFYSA-N 1 0 311.385 3.842 20 5 DHBDRO CC[C@@H]1C[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000507790118 340231586 /nfs/dbraw/zinc/23/15/86/340231586.db2.gz ABTPLEYQSFSZMS-CRAIPNDOSA-N 1 0 318.417 3.764 20 5 DHBDRO CC[C@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000402612924 340247142 /nfs/dbraw/zinc/24/71/42/340247142.db2.gz GYPIMMKMRNBYNE-JTQLQIEISA-N 1 0 320.311 3.672 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000086585503 340253945 /nfs/dbraw/zinc/25/39/45/340253945.db2.gz MQFZSEIRKFPTSY-UHFFFAOYSA-N 1 0 306.749 3.547 20 5 DHBDRO CCC(CC)(CCO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000509402158 340268421 /nfs/dbraw/zinc/26/84/21/340268421.db2.gz PZAJVOFGSHPDMT-UHFFFAOYSA-N 1 0 308.422 3.749 20 5 DHBDRO COc1ccc(-c2ccc(C[N@H+](C)CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000510409114 340298458 /nfs/dbraw/zinc/29/84/58/340298458.db2.gz DMZVZFLPWFYSTR-UHFFFAOYSA-N 1 0 316.357 3.705 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC(F)(F)C1 ZINC000511145634 340322379 /nfs/dbraw/zinc/32/23/79/340322379.db2.gz WNUIITSIWDQOKV-CYBMUJFWSA-N 1 0 312.360 3.895 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000511353430 340325704 /nfs/dbraw/zinc/32/57/04/340325704.db2.gz ZDNPYYIHJXWKBP-HUUCEWRRSA-N 1 0 317.433 3.968 20 5 DHBDRO CC[NH+](CC)CCSc1ccc2ncccc2c1[N+](=O)[O-] ZINC000172821259 340343172 /nfs/dbraw/zinc/34/31/72/340343172.db2.gz SMORHLJUJGAPRC-UHFFFAOYSA-N 1 0 305.403 3.577 20 5 DHBDRO C[C@@H](N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173453364 340365439 /nfs/dbraw/zinc/36/54/39/340365439.db2.gz UIWWGICLQYDETC-RHSMWYFYSA-N 1 0 317.433 3.510 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513208972 340397420 /nfs/dbraw/zinc/39/74/20/340397420.db2.gz CVDBZLHVGUIMMX-NWDGAFQWSA-N 1 0 310.357 3.883 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)cccc1[N+](=O)[O-] ZINC000517640167 340474397 /nfs/dbraw/zinc/47/43/97/340474397.db2.gz QVTFPYQHEOUNEQ-CYBMUJFWSA-N 1 0 324.384 3.641 20 5 DHBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000524459217 340654672 /nfs/dbraw/zinc/65/46/72/340654672.db2.gz GGMWQQCYAYEPKH-UHFFFAOYSA-N 1 0 300.358 3.542 20 5 DHBDRO CO[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000524773089 340679927 /nfs/dbraw/zinc/67/99/27/340679927.db2.gz UPHYJEBXJWYDTF-KRWDZBQOSA-N 1 0 318.373 3.615 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000124955614 340801600 /nfs/dbraw/zinc/80/16/00/340801600.db2.gz TWJZPHFRKAFJMP-LBRJOISOSA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000537991870 340806048 /nfs/dbraw/zinc/80/60/48/340806048.db2.gz QWOZREDYBKPBOY-NSHDSACASA-N 1 0 302.399 3.996 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCc1ccco1 ZINC000129606504 340975555 /nfs/dbraw/zinc/97/55/55/340975555.db2.gz OJIROHXNIOWDPV-PBHICJAKSA-N 1 0 314.385 3.731 20 5 DHBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000542320735 341004854 /nfs/dbraw/zinc/00/48/54/341004854.db2.gz UIWAFTMNRDYUET-LLVKDONJSA-N 1 0 303.362 3.604 20 5 DHBDRO Cc1ccc([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000543248331 341038372 /nfs/dbraw/zinc/03/83/72/341038372.db2.gz XKCVIVXWUVFMEF-SFHVURJKSA-N 1 0 310.397 3.935 20 5 DHBDRO Cc1ccc([C@@H](C)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000543416892 341043348 /nfs/dbraw/zinc/04/33/48/341043348.db2.gz XQZDIYMSQXJEHF-JKSUJKDBSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1ccc([C@H](C)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000543416890 341043368 /nfs/dbraw/zinc/04/33/68/341043368.db2.gz XQZDIYMSQXJEHF-HOTGVXAUSA-N 1 0 319.449 3.818 20 5 DHBDRO CCOc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000543628352 341051879 /nfs/dbraw/zinc/05/18/79/341051879.db2.gz PZSWCDFGRPOWTO-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000543627733 341051905 /nfs/dbraw/zinc/05/19/05/341051905.db2.gz XKGGVHVSUWWNBP-NEPJUHHUSA-N 1 0 305.403 3.814 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000543628872 341052100 /nfs/dbraw/zinc/05/21/00/341052100.db2.gz YBBFWSQHMGUBLI-XEZPLFJOSA-N 1 0 315.373 3.645 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000543704461 341054357 /nfs/dbraw/zinc/05/43/57/341054357.db2.gz HRULFTJPEUCBSI-WFASDCNBSA-N 1 0 306.406 3.900 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000544180292 341073219 /nfs/dbraw/zinc/07/32/19/341073219.db2.gz FGCDVKUSJCAKQG-ZWKOTPCHSA-N 1 0 318.417 3.765 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000544526846 341084901 /nfs/dbraw/zinc/08/49/01/341084901.db2.gz GZZYOHSDJGZNKE-HEHGZKQESA-N 1 0 312.369 3.810 20 5 DHBDRO CCC(CC)[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000544593253 341087682 /nfs/dbraw/zinc/08/76/82/341087682.db2.gz BJIZHWWQZJXRSY-QGZVFWFLSA-N 1 0 308.422 3.834 20 5 DHBDRO COCCC(C)(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000544709838 341091560 /nfs/dbraw/zinc/09/15/60/341091560.db2.gz KATPVUBCJQGYDI-UHFFFAOYSA-N 1 0 318.373 3.760 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@@H]1CCCCO1 ZINC000545457498 341125905 /nfs/dbraw/zinc/12/59/05/341125905.db2.gz HYYACOMCUATZGF-ZBFHGGJFSA-N 1 0 306.406 3.903 20 5 DHBDRO Cc1c([C@H](C)NCC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000545519268 341128152 /nfs/dbraw/zinc/12/81/52/341128152.db2.gz YKSVAYZQPQSJKI-HNNXBMFYSA-N 1 0 319.449 3.676 20 5 DHBDRO COc1ccsc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000546582599 341173442 /nfs/dbraw/zinc/17/34/42/341173442.db2.gz MCLPEDJZHKEJAM-UHFFFAOYSA-N 1 0 306.387 3.690 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000546687651 341178851 /nfs/dbraw/zinc/17/88/51/341178851.db2.gz NHYZYZSYKZMUDU-GOEBONIOSA-N 1 0 320.433 3.743 20 5 DHBDRO CCCCOCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000133823621 341191276 /nfs/dbraw/zinc/19/12/76/341191276.db2.gz SWRRWURKHVDELB-UHFFFAOYSA-N 1 0 300.786 3.545 20 5 DHBDRO Cc1cc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)oc1C ZINC000548858996 341278385 /nfs/dbraw/zinc/27/83/85/341278385.db2.gz HKURTAZNXVNXKG-LBPRGKRZSA-N 1 0 304.346 3.534 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000550255173 341313526 /nfs/dbraw/zinc/31/35/26/341313526.db2.gz JGQCBAKNEWZIJH-MDNBWPLSSA-N 1 0 318.417 3.529 20 5 DHBDRO CC(C)(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000551296544 341337528 /nfs/dbraw/zinc/33/75/28/341337528.db2.gz KXWWFWJUZCTEAG-LSDHHAIUSA-N 1 0 320.437 3.691 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000246517745 341352169 /nfs/dbraw/zinc/35/21/69/341352169.db2.gz KRJQNNSXEDEOHA-OGHNNQOOSA-N 1 0 312.369 3.810 20 5 DHBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000551827980 341353099 /nfs/dbraw/zinc/35/30/99/341353099.db2.gz YPDYPHBQJKXUSG-UHFFFAOYSA-N 1 0 314.332 3.961 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000246882361 341358263 /nfs/dbraw/zinc/35/82/63/341358263.db2.gz LUWWKVSMIRNGQT-RCUQFMMVSA-N 1 0 308.381 3.831 20 5 DHBDRO C[NH+](C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000552909605 341408433 /nfs/dbraw/zinc/40/84/33/341408433.db2.gz JCTKPCUPXBNOKE-HNNXBMFYSA-N 1 0 321.327 3.588 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000568941384 341686068 /nfs/dbraw/zinc/68/60/68/341686068.db2.gz KMLKQXNMYWWMRR-QGZVFWFLSA-N 1 0 324.384 3.722 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC2(CCO)CCCCC2)cccc1[N+](=O)[O-] ZINC000165646963 341713715 /nfs/dbraw/zinc/71/37/15/341713715.db2.gz CKYWWQUTGKWNIW-OAHLLOKOSA-N 1 0 320.433 3.887 20 5 DHBDRO CC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000131133631 520768091 /nfs/dbraw/zinc/76/80/91/520768091.db2.gz XNDMEXSLCXJGTM-UHFFFAOYSA-N 1 0 316.357 3.514 20 5 DHBDRO CCc1nc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000157098176 522282825 /nfs/dbraw/zinc/28/28/25/522282825.db2.gz LELOYVLHIHGDBL-LBPRGKRZSA-N 1 0 319.430 3.815 20 5 DHBDRO COc1cc(C[NH2+]CCC(C)(C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000339569601 522448418 /nfs/dbraw/zinc/44/84/18/522448418.db2.gz SAOMIFINPBUOEP-UHFFFAOYSA-N 1 0 322.405 3.528 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](CCO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154673141 522609636 /nfs/dbraw/zinc/60/96/36/522609636.db2.gz RVYVTUPJMXRVJM-YOEHRIQHSA-N 1 0 308.422 3.680 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2ncccc2c1 ZINC000338346789 522947497 /nfs/dbraw/zinc/94/74/97/522947497.db2.gz GUJXXAAEALJWAR-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000181236636 523476039 /nfs/dbraw/zinc/47/60/39/523476039.db2.gz JLSKSOIVOCHPIX-OLZOCXBDSA-N 1 0 302.378 3.531 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000131500278 523952308 /nfs/dbraw/zinc/95/23/08/523952308.db2.gz XJJYJNOMAQZDBY-SUMWQHHRSA-N 1 0 300.358 3.633 20 5 DHBDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000270751751 525696754 /nfs/dbraw/zinc/69/67/54/525696754.db2.gz YNXBPMQEJCNFBX-NSHDSACASA-N 1 0 320.414 3.572 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCC[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000183980869 525893363 /nfs/dbraw/zinc/89/33/63/525893363.db2.gz VUKQZZBNAIUHKI-HUUCEWRRSA-N 1 0 306.406 3.903 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000359864666 1013055023 /nfs/dbraw/zinc/05/50/23/1013055023.db2.gz BMYWKTAFUCRTKB-YESZJQIVSA-N 1 0 304.390 3.593 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CC[C@H](F)C3)o2)c1 ZINC000561748407 1032063232 /nfs/dbraw/zinc/06/32/32/1032063232.db2.gz KITPSFYENQWCBA-QWHCGFSZSA-N 1 0 304.321 3.835 20 5 DHBDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000155010320 1013152451 /nfs/dbraw/zinc/15/24/51/1013152451.db2.gz GDNGWQADFGKTKC-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO O=[N+]([O-])c1cccc(Nc2ccc(CC[NH+]3CCCC3)cc2)c1 ZINC001204455685 1013357258 /nfs/dbraw/zinc/35/72/58/1013357258.db2.gz FJGYRGRJQWPLML-UHFFFAOYSA-N 1 0 311.385 3.977 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000894711733 1013467045 /nfs/dbraw/zinc/46/70/45/1013467045.db2.gz KVMJNJHRALPJSJ-GFCCVEGCSA-N 1 0 324.808 3.687 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc2c1NCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000894867994 1013566959 /nfs/dbraw/zinc/56/69/59/1013566959.db2.gz OYCFOIWOSUBDFT-ZDUSSCGKSA-N 1 0 311.385 3.804 20 5 DHBDRO CC[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000247236675 1013688482 /nfs/dbraw/zinc/68/84/82/1013688482.db2.gz XGQZYEAYFONEMH-GVDBMIGSSA-N 1 0 306.406 3.577 20 5 DHBDRO CC1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083212026 1014000166 /nfs/dbraw/zinc/00/01/66/1014000166.db2.gz FKNAUOVNZACVEP-UHFFFAOYSA-N 1 0 303.362 3.748 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC4(C3)CCCCC4)nc2c1 ZINC000083213022 1014001159 /nfs/dbraw/zinc/00/11/59/1014001159.db2.gz IUMRWTDUTJIFPN-UHFFFAOYSA-N 1 0 315.373 3.892 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000154013010 1014133983 /nfs/dbraw/zinc/13/39/83/1014133983.db2.gz BBWIUYSUPKOEEP-CHWSQXEVSA-N 1 0 324.421 3.848 20 5 DHBDRO CCC[C@@H]([NH2+]C1CCC(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000319743686 1014202018 /nfs/dbraw/zinc/20/20/18/1014202018.db2.gz WYXAAPKRSGRUGG-PUJMQQBBSA-N 1 0 306.406 3.577 20 5 DHBDRO CC(C)[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000687935367 1014323967 /nfs/dbraw/zinc/32/39/67/1014323967.db2.gz PNEUXZMIFREDGL-CQSZACIVSA-N 1 0 314.838 3.822 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000580802735 1014356522 /nfs/dbraw/zinc/35/65/22/1014356522.db2.gz OYXZRLTZQHDGRC-IAOVAPTHSA-N 1 0 318.417 3.854 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000427984354 1014562165 /nfs/dbraw/zinc/56/21/65/1014562165.db2.gz MPVYORPVPWHPOJ-HOTGVXAUSA-N 1 0 306.406 3.983 20 5 DHBDRO Cc1ccc([C@@H](C)[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000520845099 1014597317 /nfs/dbraw/zinc/59/73/17/1014597317.db2.gz CTKAINFEZIZZTB-OAHLLOKOSA-N 1 0 314.385 3.975 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000520845218 1014597869 /nfs/dbraw/zinc/59/78/69/1014597869.db2.gz RERKTOXRAVOAET-HNNXBMFYSA-N 1 0 318.398 3.872 20 5 DHBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001167457840 1014772538 /nfs/dbraw/zinc/77/25/38/1014772538.db2.gz LYIOMEUPFNRSAJ-PBHICJAKSA-N 1 0 306.406 3.874 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000522015355 1014865001 /nfs/dbraw/zinc/86/50/01/1014865001.db2.gz XGAWACIQFKEUOA-MEBBXXQBSA-N 1 0 315.373 3.580 20 5 DHBDRO Cc1cnc(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000895209187 1014942243 /nfs/dbraw/zinc/94/22/43/1014942243.db2.gz QWECZCFPEPXHII-UHFFFAOYSA-N 1 0 319.792 3.592 20 5 DHBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(Br)c1Cl ZINC001226873951 1014967182 /nfs/dbraw/zinc/96/71/82/1014967182.db2.gz RPVAXAMQTZQQBL-VIFPVBQESA-N 1 0 307.639 3.576 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000320194354 1015053298 /nfs/dbraw/zinc/05/32/98/1015053298.db2.gz GRVJNHJMPGQLDZ-GOSISDBHSA-N 1 0 314.385 3.974 20 5 DHBDRO CCCC[N@H+](C)CC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610515136 1015065974 /nfs/dbraw/zinc/06/59/74/1015065974.db2.gz WATCHFBAGOCWPD-UHFFFAOYSA-N 1 0 311.451 3.605 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000051129848 1015101926 /nfs/dbraw/zinc/10/19/26/1015101926.db2.gz CCYQQAIWQMXHGV-GFCCVEGCSA-N 1 0 318.348 3.936 20 5 DHBDRO CCC(CC)[C@@H](CNc1nccc(C)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000522409394 1015128037 /nfs/dbraw/zinc/12/80/37/1015128037.db2.gz ZGOABEIZTPSMHS-OAHLLOKOSA-N 1 0 320.437 3.611 20 5 DHBDRO O=[N+]([O-])c1ccccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000025280639 1015148583 /nfs/dbraw/zinc/14/85/83/1015148583.db2.gz ZGDGAKDIOSXXMI-GOSISDBHSA-N 1 0 311.385 3.844 20 5 DHBDRO C=C/C=C\CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000895540326 1015197358 /nfs/dbraw/zinc/19/73/58/1015197358.db2.gz CMNAGXOGOXIIKB-ARJAWSKDSA-N 1 0 317.208 3.641 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895583625 1015210358 /nfs/dbraw/zinc/21/03/58/1015210358.db2.gz MISGIMWXPGNWIP-KQIUPUNMSA-N 1 0 315.398 3.554 20 5 DHBDRO COCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000185228479 1015229027 /nfs/dbraw/zinc/22/90/27/1015229027.db2.gz VHKVJDWVLYXEAO-UHFFFAOYSA-N 1 0 306.406 3.671 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000895663348 1015248188 /nfs/dbraw/zinc/24/81/88/1015248188.db2.gz JYDIXUIOFIIIIM-OCCSQVGLSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1nc(C)c(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000157935808 1015326718 /nfs/dbraw/zinc/32/67/18/1015326718.db2.gz NLXXRTHRFMUGOQ-LLVKDONJSA-N 1 0 319.430 3.870 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000895846878 1015330024 /nfs/dbraw/zinc/33/00/24/1015330024.db2.gz RJLMQVJIJLEKQO-QAPCUYQASA-N 1 0 318.417 3.719 20 5 DHBDRO Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000051235518 1015367555 /nfs/dbraw/zinc/36/75/55/1015367555.db2.gz QGKPVSXGMHBSNU-INIZCTEOSA-N 1 0 315.373 3.745 20 5 DHBDRO Cc1ccc([C@@H](C)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000320205045 1015390567 /nfs/dbraw/zinc/39/05/67/1015390567.db2.gz SCOHWESBDNQTAX-OAHLLOKOSA-N 1 0 319.449 3.818 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000610550208 1015464921 /nfs/dbraw/zinc/46/49/21/1015464921.db2.gz NZDGLGWDNXGKKP-CQSZACIVSA-N 1 0 323.462 3.749 20 5 DHBDRO COc1c(O)ccc(CN(C)[C@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000891639905 1015476888 /nfs/dbraw/zinc/47/68/88/1015476888.db2.gz JUBAZBCAZDMWRU-SNVBAGLBSA-N 1 0 322.386 3.564 20 5 DHBDRO C[C@@H](c1ccccc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580878 1015629518 /nfs/dbraw/zinc/62/95/18/1015629518.db2.gz SGITVHRMFHEWHL-LBPRGKRZSA-N 1 0 311.341 3.929 20 5 DHBDRO CC[N@H+](CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000522623323 1015784288 /nfs/dbraw/zinc/78/42/88/1015784288.db2.gz DSVZHLLHLRRLDF-UHFFFAOYSA-N 1 0 319.327 3.756 20 5 DHBDRO Cc1ccc([C@H](C)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610799331 1015844766 /nfs/dbraw/zinc/84/47/66/1015844766.db2.gz SICKPKWTOCKBQG-FMKPAKJESA-N 1 0 319.449 3.532 20 5 DHBDRO Cc1csc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000610799085 1015847126 /nfs/dbraw/zinc/84/71/26/1015847126.db2.gz CTIMDHAUIFDHGS-GFCCVEGCSA-N 1 0 305.403 3.561 20 5 DHBDRO CC[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000320228990 1015850990 /nfs/dbraw/zinc/85/09/90/1015850990.db2.gz WNBCLLFYOJLFFK-QGZVFWFLSA-N 1 0 319.449 3.900 20 5 DHBDRO CCC[C@H]([NH2+]CCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000361883889 1032142129 /nfs/dbraw/zinc/14/21/29/1032142129.db2.gz AFRRLVABIQNQHC-INIZCTEOSA-N 1 0 314.389 3.533 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000071959573 1016285033 /nfs/dbraw/zinc/28/50/33/1016285033.db2.gz GUYVAUKZPOQUNI-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000540588960 1016567419 /nfs/dbraw/zinc/56/74/19/1016567419.db2.gz JZHYSXCLPRWPLA-HNNXBMFYSA-N 1 0 321.421 3.646 20 5 DHBDRO CC[C@@H](NCC[C@@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000346870039 1016617700 /nfs/dbraw/zinc/61/77/00/1016617700.db2.gz DTSZAYQGBSMCKJ-CRAIPNDOSA-N 1 0 319.449 3.900 20 5 DHBDRO CC[C@H](NCC[C@@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000346870041 1016618245 /nfs/dbraw/zinc/61/82/45/1016618245.db2.gz DTSZAYQGBSMCKJ-QAPCUYQASA-N 1 0 319.449 3.900 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000847019726 1032179431 /nfs/dbraw/zinc/17/94/31/1032179431.db2.gz JMQBXVXBDFBGDM-SJORKVTESA-N 1 0 318.348 3.508 20 5 DHBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[C@H](C)C1 ZINC000362160761 1032254937 /nfs/dbraw/zinc/25/49/37/1032254937.db2.gz YMLDXURRYRPCIQ-XJKSGUPXSA-N 1 0 306.406 3.540 20 5 DHBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001171297981 1032283467 /nfs/dbraw/zinc/28/34/67/1032283467.db2.gz QXCNDVIQCLANJW-ZACQAIPSSA-N 1 0 320.433 3.775 20 5 DHBDRO CC1(CC[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000475219658 1017092229 /nfs/dbraw/zinc/09/22/29/1017092229.db2.gz MSCNLOZUWATGKR-UHFFFAOYSA-N 1 0 317.414 3.998 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC001171344447 1032500094 /nfs/dbraw/zinc/50/00/94/1032500094.db2.gz OOOCOUYWRGNIAW-MRXNPFEDSA-N 1 0 306.431 3.621 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000773117125 1032563374 /nfs/dbraw/zinc/56/33/74/1032563374.db2.gz KLVIXABDMNLACW-ZQIUZPCESA-N 1 0 313.401 3.985 20 5 DHBDRO COCCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000123049135 1032605757 /nfs/dbraw/zinc/60/57/57/1032605757.db2.gz AHJXBFSWUNMULD-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000123054359 1032633470 /nfs/dbraw/zinc/63/34/70/1032633470.db2.gz ZSUREKQYLADBMC-STQMWFEESA-N 1 0 300.358 3.582 20 5 DHBDRO C[C@H](c1ccccc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000515123777 1012561450 /nfs/dbraw/zinc/56/14/50/1012561450.db2.gz RCQQGCJAEMZLSV-CQSZACIVSA-N 1 0 300.358 3.667 20 5 DHBDRO Cc1nc2c(s1)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000123266277 1032641569 /nfs/dbraw/zinc/64/15/69/1032641569.db2.gz FMAUIQQMOKSICX-AWEZNQCLSA-N 1 0 317.414 3.569 20 5 DHBDRO C[C@H](CCC(C)(C)C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515832334 1012727650 /nfs/dbraw/zinc/72/76/50/1012727650.db2.gz SFWWBBHITTWRSX-CYBMUJFWSA-N 1 0 321.421 3.728 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000125014961 1032689040 /nfs/dbraw/zinc/68/90/40/1032689040.db2.gz GZZPLESZUMRUDL-YYIAUSFCSA-N 1 0 304.390 3.593 20 5 DHBDRO CCC(CC)C[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444592271 1017579452 /nfs/dbraw/zinc/57/94/52/1017579452.db2.gz GIFLNOZORLMYAT-UHFFFAOYSA-N 1 0 304.394 3.729 20 5 DHBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCc2ccccc21 ZINC000083138845 1017579464 /nfs/dbraw/zinc/57/94/64/1017579464.db2.gz LNDNLFSARZKOOU-MRXNPFEDSA-N 1 0 323.352 3.855 20 5 DHBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167624388 1017690911 /nfs/dbraw/zinc/69/09/11/1017690911.db2.gz GSFDVFBCMOYUQA-UHFFFAOYSA-N 1 0 316.405 3.561 20 5 DHBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000613184935 1017970686 /nfs/dbraw/zinc/97/06/86/1017970686.db2.gz ZBACJVYBLUDEEV-JSGCOSHPSA-N 1 0 317.414 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000171765141 1017983210 /nfs/dbraw/zinc/98/32/10/1017983210.db2.gz GOGTWKRCTXUMNE-UHFFFAOYSA-N 1 0 322.311 3.529 20 5 DHBDRO Cc1c([C@H](C)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000153741731 1018003825 /nfs/dbraw/zinc/00/38/25/1018003825.db2.gz MVCPBLKVTCSHHM-LSDHHAIUSA-N 1 0 317.433 3.571 20 5 DHBDRO CC(C)(C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172115600 1018011871 /nfs/dbraw/zinc/01/18/71/1018011871.db2.gz ZCNSIKNFMNFRJO-UHFFFAOYSA-N 1 0 305.403 3.854 20 5 DHBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000524895235 1018119074 /nfs/dbraw/zinc/11/90/74/1018119074.db2.gz PSVFTJUBXZOVNL-JKSUJKDBSA-N 1 0 306.406 3.539 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000079926961 1018224749 /nfs/dbraw/zinc/22/47/49/1018224749.db2.gz FATVLRXWBXISBI-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446828796 1018262212 /nfs/dbraw/zinc/26/22/12/1018262212.db2.gz ZJJZGJKFJYJFCB-NEPJUHHUSA-N 1 0 302.378 3.530 20 5 DHBDRO CC(C)=CCC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446832330 1018263675 /nfs/dbraw/zinc/26/36/75/1018263675.db2.gz ASTYKTORHJOYLB-LBPRGKRZSA-N 1 0 302.378 3.696 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CCCCC3)CC2)cc1 ZINC000764516867 1018303032 /nfs/dbraw/zinc/30/30/32/1018303032.db2.gz WEESHHGEHZOVOU-UHFFFAOYSA-N 1 0 317.433 3.734 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC2SCCS2)c1 ZINC000693780295 1018317419 /nfs/dbraw/zinc/31/74/19/1018317419.db2.gz AXANKFONZTYTFF-UHFFFAOYSA-N 1 0 318.851 3.534 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccco1 ZINC000764766600 1018364133 /nfs/dbraw/zinc/36/41/33/1018364133.db2.gz GMVQHVWILQWCQB-KGLIPLIRSA-N 1 0 302.374 3.730 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccccc1F)CCC2 ZINC000447519387 1018402533 /nfs/dbraw/zinc/40/25/33/1018402533.db2.gz QKIOWXPVNUCHLZ-SFHVURJKSA-N 1 0 314.360 3.944 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1Cc3ccccc3O1)CCC2 ZINC000447528633 1018405201 /nfs/dbraw/zinc/40/52/01/1018405201.db2.gz JHZSGFQCFCZOOG-AEFFLSMTSA-N 1 0 324.380 3.566 20 5 DHBDRO CCC[C@H]([NH2+]Cc1cn(C)nc1CC)c1cccc([N+](=O)[O-])c1 ZINC000091742477 1018600114 /nfs/dbraw/zinc/60/01/14/1018600114.db2.gz WLUWBIGGHAGGPE-KRWDZBQOSA-N 1 0 316.405 3.522 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278375531 1018630773 /nfs/dbraw/zinc/63/07/73/1018630773.db2.gz LDGDFWLQDGPNFT-NSHDSACASA-N 1 0 302.296 3.678 20 5 DHBDRO CCC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)OCC ZINC000705349805 1018648786 /nfs/dbraw/zinc/64/87/86/1018648786.db2.gz GVAYZLLCGPHEOV-CYBMUJFWSA-N 1 0 300.786 3.543 20 5 DHBDRO COc1ccc(F)cc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123238778 1018730912 /nfs/dbraw/zinc/73/09/12/1018730912.db2.gz KCBGXQMSZCGVOV-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000765305426 1018753042 /nfs/dbraw/zinc/75/30/42/1018753042.db2.gz PFVWJVUIQUNRJI-KGLIPLIRSA-N 1 0 314.385 3.807 20 5 DHBDRO COC(C)(C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000340494927 1018770065 /nfs/dbraw/zinc/77/00/65/1018770065.db2.gz CCEZXVJJNVLCFC-VIFPVBQESA-N 1 0 320.311 3.517 20 5 DHBDRO Cn1cc(C[NH2+]CCC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338710433 1018773157 /nfs/dbraw/zinc/77/31/57/1018773157.db2.gz HRRKNWDIWUABQY-UHFFFAOYSA-N 1 0 316.405 3.521 20 5 DHBDRO COc1cc(C)ccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573020262 1018803740 /nfs/dbraw/zinc/80/37/40/1018803740.db2.gz FSMAUBAYWYZLDW-MRXNPFEDSA-N 1 0 312.369 3.689 20 5 DHBDRO CC[C@@H](C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171950332 1018853583 /nfs/dbraw/zinc/85/35/83/1018853583.db2.gz XCSHBYUYNSVHJO-NEPJUHHUSA-N 1 0 318.377 3.684 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278613668 1018926301 /nfs/dbraw/zinc/92/63/01/1018926301.db2.gz FQAZXPQOBRJMFV-GHMZBOCLSA-N 1 0 302.296 3.930 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000922969025 1018954871 /nfs/dbraw/zinc/95/48/71/1018954871.db2.gz YCYAGJMGXOBSPS-AWEZNQCLSA-N 1 0 324.808 3.830 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000922970075 1018955163 /nfs/dbraw/zinc/95/51/63/1018955163.db2.gz ZQBGELDYLFLQSB-GIZXNFQBSA-N 1 0 316.401 3.689 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1cccc([N+](=O)[O-])c1 ZINC000921553399 1019049477 /nfs/dbraw/zinc/04/94/77/1019049477.db2.gz UCVWACVVXIWUQM-CHWSQXEVSA-N 1 0 312.369 3.769 20 5 DHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000130744230 1019068922 /nfs/dbraw/zinc/06/89/22/1019068922.db2.gz LTXGAXXPAVFWHI-UHFFFAOYSA-N 1 0 318.398 3.700 20 5 DHBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000340527692 1019197926 /nfs/dbraw/zinc/19/79/26/1019197926.db2.gz XZJZEQYYFJXMIF-CHWSQXEVSA-N 1 0 315.373 3.719 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000611030812 1019387023 /nfs/dbraw/zinc/38/70/23/1019387023.db2.gz KHTZPWCZQRNGGD-UHFFFAOYSA-N 1 0 323.462 3.749 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000611071893 1019394247 /nfs/dbraw/zinc/39/42/47/1019394247.db2.gz IVMXDUXJVLOCTK-QGZVFWFLSA-N 1 0 318.323 3.693 20 5 DHBDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000090519228 1019398761 /nfs/dbraw/zinc/39/87/61/1019398761.db2.gz HYYAKQIHBIWPHV-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO CCCC[N@H+](C)CC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611290026 1019435190 /nfs/dbraw/zinc/43/51/90/1019435190.db2.gz VHIDUQZBXBRDAK-UHFFFAOYSA-N 1 0 311.451 3.605 20 5 DHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000611370281 1019457459 /nfs/dbraw/zinc/45/74/59/1019457459.db2.gz FOWLEMNOTJNMAG-GXTWGEPZSA-N 1 0 317.414 3.904 20 5 DHBDRO C[C@H]1C[C@H](Nc2sccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000611413470 1019477219 /nfs/dbraw/zinc/47/72/19/1019477219.db2.gz WHVYFBGQGJMMNY-JSGCOSHPSA-N 1 0 317.414 3.731 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092471206 1019511768 /nfs/dbraw/zinc/51/17/68/1019511768.db2.gz VJGGOIKQOXETQD-LLVKDONJSA-N 1 0 303.387 3.560 20 5 DHBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000611555206 1019517837 /nfs/dbraw/zinc/51/78/37/1019517837.db2.gz RHLRQKLAKOXVGL-ZYHUDNBSSA-N 1 0 302.296 3.758 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000179137094 1019765833 /nfs/dbraw/zinc/76/58/33/1019765833.db2.gz BBLIIOHCMAWRRN-ZBFHGGJFSA-N 1 0 300.358 3.689 20 5 DHBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000282262858 1019785328 /nfs/dbraw/zinc/78/53/28/1019785328.db2.gz QZUBHJJFJVEHFN-NHYWBVRUSA-N 1 0 312.797 3.543 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccc(O)c1 ZINC000530342081 1019906104 /nfs/dbraw/zinc/90/61/04/1019906104.db2.gz VVYSVSNWXRWSCI-NTEUORMPSA-N 1 0 312.369 3.836 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000318545323 1020044543 /nfs/dbraw/zinc/04/45/43/1020044543.db2.gz JWQZAQYHHLZEKF-UHOFOFEASA-N 1 0 306.406 3.757 20 5 DHBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)CC1 ZINC001230040491 1020052879 /nfs/dbraw/zinc/05/28/79/1020052879.db2.gz MPVCCFYLFJTMGH-UHFFFAOYSA-N 1 0 319.188 3.765 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000092332251 1020084256 /nfs/dbraw/zinc/08/42/56/1020084256.db2.gz DIQNFOFHGWKDLD-MRVPVSSYSA-N 1 0 309.753 3.704 20 5 DHBDRO CC(C)C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)[NH+](C)C ZINC000731208761 1020084632 /nfs/dbraw/zinc/08/46/32/1020084632.db2.gz KHJDLRSRRVESSS-LBPRGKRZSA-N 1 0 322.434 3.593 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc3c[nH]nc3c2)C2CC2)c1 ZINC000154278624 1020092380 /nfs/dbraw/zinc/09/23/80/1020092380.db2.gz NFXMGQPWFTZMRM-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC001168604343 1020105793 /nfs/dbraw/zinc/10/57/93/1020105793.db2.gz NSQQIANUKHOQDL-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO CCCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000154464539 1020112192 /nfs/dbraw/zinc/11/21/92/1020112192.db2.gz PDZOPBMDCJECQN-UHFFFAOYSA-N 1 0 316.405 3.612 20 5 DHBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC(C)(C)O ZINC000093414543 1020152756 /nfs/dbraw/zinc/15/27/56/1020152756.db2.gz YAZYLQCAEUFNHE-UHFFFAOYSA-N 1 0 320.414 3.526 20 5 DHBDRO C[C@H](O)CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093481192 1020154639 /nfs/dbraw/zinc/15/46/39/1020154639.db2.gz AFCMPBYUMZQJLZ-LBPRGKRZSA-N 1 0 320.414 3.526 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154963567 1020172250 /nfs/dbraw/zinc/17/22/50/1020172250.db2.gz LKENAQIYGALXKH-WFASDCNBSA-N 1 0 319.430 3.610 20 5 DHBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000390484540 1020201311 /nfs/dbraw/zinc/20/13/11/1020201311.db2.gz GDLDOQOSNHYXBA-SNVBAGLBSA-N 1 0 319.327 3.754 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)cc1[N+](=O)[O-] ZINC000124924152 1020241885 /nfs/dbraw/zinc/24/18/85/1020241885.db2.gz RLNQTLQZFOFZMX-PWXKEOIMSA-N 1 0 304.390 3.511 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922729809 1020243010 /nfs/dbraw/zinc/24/30/10/1020243010.db2.gz GYYOJXYXKIYTST-XKROAEHRSA-N 1 0 314.307 3.786 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCS1 ZINC000922843111 1020299619 /nfs/dbraw/zinc/29/96/19/1020299619.db2.gz PMUGGMFBSUFOHW-KOLCDFICSA-N 1 0 300.811 3.622 20 5 DHBDRO C[C@H](C1CC1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000235397752 1020310979 /nfs/dbraw/zinc/31/09/79/1020310979.db2.gz CXROJOWOUPKTRR-SECBINFHSA-N 1 0 313.195 3.588 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000280901535 1020315678 /nfs/dbraw/zinc/31/56/78/1020315678.db2.gz DVBPFGCGUVSWCQ-KURKYZTESA-N 1 0 318.417 3.500 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1N(C)C ZINC000179408945 1020339107 /nfs/dbraw/zinc/33/91/07/1020339107.db2.gz OSVGGWYZXUYXDX-AWEZNQCLSA-N 1 0 313.401 3.554 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000282150634 1020359607 /nfs/dbraw/zinc/35/96/07/1020359607.db2.gz SRKOCOCDJHTTMJ-BBRMVZONSA-N 1 0 304.390 3.595 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000125922384 1020360837 /nfs/dbraw/zinc/36/08/37/1020360837.db2.gz FVFGNGOJBWVRPE-UHFFFAOYSA-N 1 0 316.323 3.848 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC001168740968 1020451022 /nfs/dbraw/zinc/45/10/22/1020451022.db2.gz BQZCVYFSAMMUQR-JKSUJKDBSA-N 1 0 304.390 3.595 20 5 DHBDRO CCCCC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(C)(C)C ZINC001307615166 1020471583 /nfs/dbraw/zinc/47/15/83/1020471583.db2.gz HHVGACVCJTWDJY-AWEZNQCLSA-N 1 0 310.442 3.684 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000282680289 1020500432 /nfs/dbraw/zinc/50/04/32/1020500432.db2.gz JQXNPUFDOZDCCR-YOEHRIQHSA-N 1 0 318.417 3.903 20 5 DHBDRO C[NH+](C)CC(C)(C)CNc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001168768394 1020520821 /nfs/dbraw/zinc/52/08/21/1020520821.db2.gz VDTRNUXQGDWBKS-UHFFFAOYSA-N 1 0 319.327 3.613 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cc(N(C)C)cc[nH+]1 ZINC000615727254 1020579403 /nfs/dbraw/zinc/57/94/03/1020579403.db2.gz DGTZZZQGMABMRD-UKTHLTGXSA-N 1 0 312.373 3.571 20 5 DHBDRO CSCC1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295142527 1020807200 /nfs/dbraw/zinc/80/72/00/1020807200.db2.gz IXOWVSGMACRMHA-UHFFFAOYSA-N 1 0 308.447 3.649 20 5 DHBDRO CC(C)[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000738242751 1020867508 /nfs/dbraw/zinc/86/75/08/1020867508.db2.gz ZGCULJOSBMYYKB-AWEZNQCLSA-N 1 0 316.405 3.660 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[C@H]1C ZINC000414150127 1020942004 /nfs/dbraw/zinc/94/20/04/1020942004.db2.gz PBHCXTHZVOBCSO-KKFJDGPESA-N 1 0 302.296 3.748 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cncc(F)c1 ZINC000414153293 1020944950 /nfs/dbraw/zinc/94/49/50/1020944950.db2.gz ZCHUSLNYMGWJSG-APPDUMDISA-N 1 0 315.348 3.857 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(C)o1 ZINC000414180883 1020970663 /nfs/dbraw/zinc/97/06/63/1020970663.db2.gz LYTGOYQZDCUQMV-LBPRGKRZSA-N 1 0 321.402 3.552 20 5 DHBDRO COCC[C@H](C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414207323 1020996791 /nfs/dbraw/zinc/99/67/91/1020996791.db2.gz QRYBHRZRQPHTEG-ZOBUZTSGSA-N 1 0 320.433 3.568 20 5 DHBDRO Cc1cccc(F)c1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000742381169 1021108297 /nfs/dbraw/zinc/10/82/97/1021108297.db2.gz QMGUOEDGTZRWQM-YVMONPNESA-N 1 0 300.333 3.845 20 5 DHBDRO C[NH+](C)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000742393123 1021111331 /nfs/dbraw/zinc/11/13/31/1021111331.db2.gz ZMWZFGOXFCKGHU-HNNXBMFYSA-N 1 0 309.385 3.656 20 5 DHBDRO Cc1cc(NC2C[C@@H](C)O[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181537643 1021228319 /nfs/dbraw/zinc/22/83/19/1021228319.db2.gz XGASXZDPQYUVFC-VXGBXAGGSA-N 1 0 315.373 3.819 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000926798226 1021293852 /nfs/dbraw/zinc/29/38/52/1021293852.db2.gz XSOWLNRVGCFMLJ-CQSZACIVSA-N 1 0 315.373 3.548 20 5 DHBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154470515 1021335383 /nfs/dbraw/zinc/33/53/83/1021335383.db2.gz GKAIXOXYJXNFME-JQFCIGGWSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1ccc([C@@H](C)NCc2ccncc2Cl)cc1[N+](=O)[O-] ZINC000181832823 1021361227 /nfs/dbraw/zinc/36/12/27/1021361227.db2.gz FFSBYMYNXRVNKG-LLVKDONJSA-N 1 0 305.765 3.802 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC3(CCC3)C1)CCC2 ZINC000618572103 1021423715 /nfs/dbraw/zinc/42/37/15/1021423715.db2.gz ZAOGNNPRNUYVNU-YOEHRIQHSA-N 1 0 316.401 3.664 20 5 DHBDRO CCC1(O)CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618571468 1021428431 /nfs/dbraw/zinc/42/84/31/1021428431.db2.gz TVUMBXDQIYVIRR-ZCDVPAHGSA-N 1 0 318.417 3.646 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CCO)CC(C)C ZINC000154649594 1021468587 /nfs/dbraw/zinc/46/85/87/1021468587.db2.gz HPZDPQKOQCJTQD-GJZGRUSLSA-N 1 0 308.422 3.599 20 5 DHBDRO C[C@@]1(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1(F)F ZINC000850380952 1021498982 /nfs/dbraw/zinc/49/89/82/1021498982.db2.gz RNHYUCGPHYXIPU-GFCCVEGCSA-N 1 0 304.724 3.773 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CS1 ZINC000414496003 1021515292 /nfs/dbraw/zinc/51/52/92/1021515292.db2.gz CNJVEIRBADLULH-YPMHNXCESA-N 1 0 318.398 3.838 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000850422688 1021524889 /nfs/dbraw/zinc/52/48/89/1021524889.db2.gz ZXCDAHXUHXHLLL-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000129825162 1021577256 /nfs/dbraw/zinc/57/72/56/1021577256.db2.gz PALHIHTWSZUUBB-AWEZNQCLSA-N 1 0 306.406 3.639 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1COC3(CCC3)C1)CCCC2 ZINC000850524037 1021577618 /nfs/dbraw/zinc/57/76/18/1021577618.db2.gz SQUZAROOCQVMAU-PBHICJAKSA-N 1 0 316.401 3.664 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1SCCS1 ZINC000850570109 1021612247 /nfs/dbraw/zinc/61/22/47/1021612247.db2.gz GTGVBEXEMSMNOT-LLVKDONJSA-N 1 0 312.460 3.750 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000182456194 1021661520 /nfs/dbraw/zinc/66/15/20/1021661520.db2.gz ATFUEDPQMZGLPX-AWEZNQCLSA-N 1 0 303.362 3.749 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000290297496 1021719542 /nfs/dbraw/zinc/71/95/42/1021719542.db2.gz NIDZEBOEZLAYCF-KBPBESRZSA-N 1 0 312.369 3.730 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000556609946 1021794309 /nfs/dbraw/zinc/79/43/09/1021794309.db2.gz WGQUYCFRBSGNBI-QKNCTXAOSA-N 1 0 316.401 3.642 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCCCO2)C1 ZINC000365705311 1021882503 /nfs/dbraw/zinc/88/25/03/1021882503.db2.gz PMIGIWMMBSICOL-WMLDXEAASA-N 1 0 304.390 3.691 20 5 DHBDRO COCCC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000893104225 1021934635 /nfs/dbraw/zinc/93/46/35/1021934635.db2.gz UBEKYVHXYZTEPL-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO C[C@H]([NH2+]CCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000195260776 1022043135 /nfs/dbraw/zinc/04/31/35/1022043135.db2.gz WYQLDNPZGQQSCL-AWEZNQCLSA-N 1 0 300.358 3.715 20 5 DHBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000103482797 1022092171 /nfs/dbraw/zinc/09/21/71/1022092171.db2.gz IKUZDJGSPWYIFY-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587605 1022102581 /nfs/dbraw/zinc/10/25/81/1022102581.db2.gz XHCKMDUGYZMPJM-RDJZCZTQSA-N 1 0 306.406 3.529 20 5 DHBDRO CCC[C@]1(C)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587438 1022105009 /nfs/dbraw/zinc/10/50/09/1022105009.db2.gz GNUAXSNRGSXLMB-DLBZAZTESA-N 1 0 306.406 3.530 20 5 DHBDRO COc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1C ZINC000930554665 1022145328 /nfs/dbraw/zinc/14/53/28/1022145328.db2.gz MVJCONYPFVUARH-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO [NH3+]Cc1ccc2ncn(-c3cc4ccccc4c([N+](=O)[O-])c3)c2c1 ZINC001168845827 1022158403 /nfs/dbraw/zinc/15/84/03/1022158403.db2.gz GSQZORHWLLFKNS-UHFFFAOYSA-N 1 0 318.336 3.546 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)CSC)cc1[N+](=O)[O-] ZINC000183523132 1022162990 /nfs/dbraw/zinc/16/29/90/1022162990.db2.gz DVAPBICWDCQUMS-AAEUAGOBSA-N 1 0 312.435 3.786 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2c3ccccc3-c3ccccc32)C1 ZINC001168976050 1022194693 /nfs/dbraw/zinc/19/46/93/1022194693.db2.gz YUSRIAQKHHFGTH-UONOGXRCSA-N 1 0 308.381 3.791 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)C1 ZINC001168980302 1022197801 /nfs/dbraw/zinc/19/78/01/1022197801.db2.gz CSFHZFJRJMHUHD-DQYPLSBCSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC001168960078 1022201803 /nfs/dbraw/zinc/20/18/03/1022201803.db2.gz ZUMMOBICEIIEKA-QFBILLFUSA-N 1 0 324.424 3.854 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)c(Cl)cc2Cl)C1 ZINC001168959111 1022201823 /nfs/dbraw/zinc/20/18/23/1022201823.db2.gz TUUFEBJMVSFGJW-PSASIEDQSA-N 1 0 321.179 3.668 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(Cl)c1F ZINC001168964655 1022202038 /nfs/dbraw/zinc/20/20/38/1022202038.db2.gz VBCPKIDYSFOYQW-MXWKQRLJSA-N 1 0 300.761 3.575 20 5 DHBDRO CC(C)(Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966817 1022203425 /nfs/dbraw/zinc/20/34/25/1022203425.db2.gz LHMPDJMALWACIG-HIFRSBDPSA-N 1 0 310.825 3.696 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001168966316 1022204228 /nfs/dbraw/zinc/20/42/28/1022204228.db2.gz HYJSYKMUWCNANG-AGERRDQYSA-N 1 0 302.418 3.748 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC001169002535 1022209564 /nfs/dbraw/zinc/20/95/64/1022209564.db2.gz KXBBKEMEERPEES-BFQNTYOBSA-N 1 0 308.809 3.752 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC001168988168 1022216457 /nfs/dbraw/zinc/21/64/57/1022216457.db2.gz OQXWNLUZNROVRK-HZPDHXFCSA-N 1 0 318.417 3.543 20 5 DHBDRO CC(C)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168986707 1022217286 /nfs/dbraw/zinc/21/72/86/1022217286.db2.gz YQAKDULCYZKYOB-JQFCIGGWSA-N 1 0 308.397 3.948 20 5 DHBDRO C[N@H+](Cc1ccccc1C(F)(F)F)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033595 1022218950 /nfs/dbraw/zinc/21/89/50/1022218950.db2.gz CDHSUQCFVLDJPE-YPMHNXCESA-N 1 0 316.323 3.583 20 5 DHBDRO C[N@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169033593 1022219647 /nfs/dbraw/zinc/21/96/47/1022219647.db2.gz CDHSUQCFVLDJPE-DGCLKSJQSA-N 1 0 316.323 3.583 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2c3ccccc3Oc3ccccc32)C1 ZINC001168989308 1022220293 /nfs/dbraw/zinc/22/02/93/1022220293.db2.gz VVKOQKOYYWTPSS-KGLIPLIRSA-N 1 0 324.380 3.917 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3ccc(F)cc3)CC2)C1 ZINC001169036629 1022222049 /nfs/dbraw/zinc/22/20/49/1022222049.db2.gz PIGNRKLZRDBBNH-SJLPKXTDSA-N 1 0 320.408 3.526 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2c([C@H]3CCC[NH2+]3)cc3ccccc32)C1 ZINC001169024948 1022226539 /nfs/dbraw/zinc/22/65/39/1022226539.db2.gz ICDIPYHVPALMFV-FVQBIDKESA-N 1 0 313.401 3.684 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001169048429 1022228274 /nfs/dbraw/zinc/22/82/74/1022228274.db2.gz UZJIYWJFTTUSLJ-KFNAQCHYSA-N 1 0 310.344 3.547 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169144466 1022274020 /nfs/dbraw/zinc/27/40/20/1022274020.db2.gz MJFVCYUWSLFQER-GUYCJALGSA-N 1 0 305.422 3.859 20 5 DHBDRO Cc1c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC001169148952 1022279618 /nfs/dbraw/zinc/27/96/18/1022279618.db2.gz XCNLJRAUZKLDCF-CXAGYDPISA-N 1 0 323.412 3.998 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000609466623 1022287335 /nfs/dbraw/zinc/28/73/35/1022287335.db2.gz VCXKREZNVQULLU-UHFFFAOYSA-N 1 0 322.364 3.917 20 5 DHBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000541385677 1022287816 /nfs/dbraw/zinc/28/78/16/1022287816.db2.gz GZUVEFGKSKGMEP-SJKOYZFVSA-N 1 0 316.357 3.512 20 5 DHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000538389657 1033048963 /nfs/dbraw/zinc/04/89/63/1033048963.db2.gz GNLRJHSISHUVNA-OAHLLOKOSA-N 1 0 321.421 3.646 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc2ccccc2n1 ZINC000538388351 1033049241 /nfs/dbraw/zinc/04/92/41/1033049241.db2.gz ZWEKYJKWGIYQPX-YVMONPNESA-N 1 0 319.364 3.946 20 5 DHBDRO Cc1ccc(C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000610090221 1022417967 /nfs/dbraw/zinc/41/79/67/1022417967.db2.gz WGXGEEMKQGCYQF-UGSOOPFHSA-N 1 0 320.433 3.570 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000090809945 1022463782 /nfs/dbraw/zinc/46/37/82/1022463782.db2.gz OVSWOLAROSFBBM-XJKSGUPXSA-N 1 0 308.422 3.597 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nc(C)ccc1[N+](=O)[O-] ZINC001169695074 1022503819 /nfs/dbraw/zinc/50/38/19/1022503819.db2.gz DYDJVFPXRVTWMU-AWEZNQCLSA-N 1 0 312.373 3.538 20 5 DHBDRO C[NH+](C)CCC(C)(C)Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001169719132 1022519068 /nfs/dbraw/zinc/51/90/68/1022519068.db2.gz YPOJXUOFBPHCND-VQHVLOKHSA-N 1 0 311.813 3.730 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(c3ccc(F)cc3)C2)cc1 ZINC000237746196 1022520404 /nfs/dbraw/zinc/52/04/04/1022520404.db2.gz AALYGHVTBVOGQO-UHFFFAOYSA-N 1 0 300.333 3.770 20 5 DHBDRO O=[N+]([O-])c1cc(NCC23CC[NH+](CC2)CC3)cc2ccccc21 ZINC001169799724 1022539392 /nfs/dbraw/zinc/53/93/92/1022539392.db2.gz HNWBLTWMKVJBTO-UHFFFAOYSA-N 1 0 311.385 3.646 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cccs1 ZINC000417302652 1022669244 /nfs/dbraw/zinc/66/92/44/1022669244.db2.gz CQCQCJAUHDNFHA-FPMFFAJLSA-N 1 0 302.399 3.938 20 5 DHBDRO CCOCCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417320540 1022684515 /nfs/dbraw/zinc/68/45/15/1022684515.db2.gz JYCXXHJHLSFPQZ-KRWDZBQOSA-N 1 0 306.406 3.769 20 5 DHBDRO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417377065 1022714366 /nfs/dbraw/zinc/71/43/66/1022714366.db2.gz RPPJLKLEHUESKY-ISTRZQFTSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)O1 ZINC000417388171 1022725857 /nfs/dbraw/zinc/72/58/57/1022725857.db2.gz ZNLODCKLDLRZJX-HOPMXRPOSA-N 1 0 318.417 3.765 20 5 DHBDRO CC[C@@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000616487724 1022734028 /nfs/dbraw/zinc/73/40/28/1022734028.db2.gz RDBBSUUUCUEMGH-QGZVFWFLSA-N 1 0 316.357 3.514 20 5 DHBDRO CO[C@@]1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCOC1 ZINC000763479295 1022734186 /nfs/dbraw/zinc/73/41/86/1022734186.db2.gz GSKVVCSGWJWPQG-OAQYLSRUSA-N 1 0 321.420 3.888 20 5 DHBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000584849778 1022809749 /nfs/dbraw/zinc/80/97/49/1022809749.db2.gz LDEMZRSHLFSSCQ-JJRVBVJISA-N 1 0 318.417 3.765 20 5 DHBDRO CCOc1cc(C[NH2+][C@@H](C)c2cnccc2C)ccc1[N+](=O)[O-] ZINC000617219551 1022900876 /nfs/dbraw/zinc/90/08/76/1022900876.db2.gz UKHLFHLZZJSTTJ-ZDUSSCGKSA-N 1 0 315.373 3.548 20 5 DHBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCCC[N@H+]1CCCC[C@H]1C ZINC001167754313 1023047931 /nfs/dbraw/zinc/04/79/31/1023047931.db2.gz RUKRTYWTZXMTEQ-GFCCVEGCSA-N 1 0 309.385 3.719 20 5 DHBDRO Cc1nc2c(o1)CCC[C@H]2N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000925690207 1023163956 /nfs/dbraw/zinc/16/39/56/1023163956.db2.gz GIGZYDJQWJVXGQ-GXFFZTMASA-N 1 0 301.346 3.619 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000151825643 1033484646 /nfs/dbraw/zinc/48/46/46/1033484646.db2.gz ZXZQDGQDCCVXCI-LLVKDONJSA-N 1 0 320.311 3.523 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)c1 ZINC000093115884 1023449133 /nfs/dbraw/zinc/44/91/33/1023449133.db2.gz MULFZGUFKRAQEB-QGZVFWFLSA-N 1 0 300.333 3.901 20 5 DHBDRO O=[N+]([O-])c1sccc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000063258208 1023480258 /nfs/dbraw/zinc/48/02/58/1023480258.db2.gz WFBKTFAGXOUSPZ-UHFFFAOYSA-N 1 0 317.414 3.864 20 5 DHBDRO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000108098195 1023524716 /nfs/dbraw/zinc/52/47/16/1023524716.db2.gz FCNZSKYUEHMEHF-QGZVFWFLSA-N 1 0 311.385 3.590 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000313740637 1023636599 /nfs/dbraw/zinc/63/65/99/1023636599.db2.gz ASQXRPRHYOMSKO-LLVKDONJSA-N 1 0 314.817 3.566 20 5 DHBDRO C[C@H](Cc1cccs1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788642842 1023917605 /nfs/dbraw/zinc/91/76/05/1023917605.db2.gz DZYAFQGVQJSSPY-GHMZBOCLSA-N 1 0 305.403 3.520 20 5 DHBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000788640599 1023918184 /nfs/dbraw/zinc/91/81/84/1023918184.db2.gz SULRRRGTSJQFRG-YVEFUNNKSA-N 1 0 311.385 3.824 20 5 DHBDRO C[C@@H]([NH2+]CCCc1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788691925 1023920579 /nfs/dbraw/zinc/92/05/79/1023920579.db2.gz NINVSXQSANIZNR-LLVKDONJSA-N 1 0 305.403 3.522 20 5 DHBDRO COC[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000452110150 1023979570 /nfs/dbraw/zinc/97/95/70/1023979570.db2.gz YEJKFAHURGCQDG-LSDHHAIUSA-N 1 0 306.406 3.713 20 5 DHBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1n1ccnc1 ZINC000134007986 1033177175 /nfs/dbraw/zinc/17/71/75/1033177175.db2.gz WUFKPZSWEGOAAR-NHYWBVRUSA-N 1 0 320.780 3.532 20 5 DHBDRO CC[NH+](CC)Cc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000195506622 1024034945 /nfs/dbraw/zinc/03/49/45/1024034945.db2.gz SMFHHJNNYPAOAQ-UHFFFAOYSA-N 1 0 320.418 3.505 20 5 DHBDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001170117700 1024155431 /nfs/dbraw/zinc/15/54/31/1024155431.db2.gz MGBNJTZMGVCIPH-HZPDHXFCSA-N 1 0 306.406 3.668 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000268807107 1024165867 /nfs/dbraw/zinc/16/58/67/1024165867.db2.gz ACFYPBOTYIAQHU-GWCFXTLKSA-N 1 0 320.311 3.603 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccnc1Cl ZINC000268902709 1024192317 /nfs/dbraw/zinc/19/23/17/1024192317.db2.gz CZRROKSBZSWNKZ-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO Cc1nc2c(s1)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])CCC2 ZINC000268924698 1024196024 /nfs/dbraw/zinc/19/60/24/1024196024.db2.gz KPJPWJRXKAFBLN-CYBMUJFWSA-N 1 0 317.414 3.569 20 5 DHBDRO CCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000268985136 1024213744 /nfs/dbraw/zinc/21/37/44/1024213744.db2.gz PWQCBZXULIQQMO-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000269007821 1024218961 /nfs/dbraw/zinc/21/89/61/1024218961.db2.gz QZFLEYSJHKADGT-HZPDHXFCSA-N 1 0 318.373 3.661 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000269044105 1024229839 /nfs/dbraw/zinc/22/98/39/1024229839.db2.gz UQTIMWFAMKVDFV-GHMZBOCLSA-N 1 0 320.311 3.521 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCc2c1cccc2O ZINC000105486801 1024387208 /nfs/dbraw/zinc/38/72/08/1024387208.db2.gz DPUHZWBWGPHMQI-MQDFFIGUSA-N 1 0 310.353 3.591 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC000883356665 1024402498 /nfs/dbraw/zinc/40/24/98/1024402498.db2.gz SDAQEAICQHQJIQ-KBPBESRZSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C2CCC3(COC3)CC2)cc1[N+](=O)[O-] ZINC000883378225 1024411612 /nfs/dbraw/zinc/41/16/12/1024411612.db2.gz DCVSNKWIPMMQMF-ZDUSSCGKSA-N 1 0 304.390 3.513 20 5 DHBDRO CC[C@H]([NH2+]C1CCC2(COC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000883379338 1024412011 /nfs/dbraw/zinc/41/20/11/1024412011.db2.gz XNEGSMASMKEDFL-INIZCTEOSA-N 1 0 304.390 3.595 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000270701524 1024421220 /nfs/dbraw/zinc/42/12/20/1024421220.db2.gz YHAWKWJLLDVYGQ-YFZXXLGGSA-N 1 0 318.417 3.791 20 5 DHBDRO CO[C@@](C)(C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000453313158 1024458022 /nfs/dbraw/zinc/45/80/22/1024458022.db2.gz DRNCFWVLDXIFKN-KDOFPFPSSA-N 1 0 314.385 3.807 20 5 DHBDRO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453347940 1024473384 /nfs/dbraw/zinc/47/33/84/1024473384.db2.gz GQIUMRJCLFKPCN-OAHLLOKOSA-N 1 0 320.433 3.704 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000106478128 1024536703 /nfs/dbraw/zinc/53/67/03/1024536703.db2.gz JLJSSAQEBYTFLK-INIZCTEOSA-N 1 0 300.333 3.819 20 5 DHBDRO CCC[C@H]([NH2+]Cc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000323511303 1033217985 /nfs/dbraw/zinc/21/79/85/1033217985.db2.gz HYGOQHUWBNIZQK-SFHVURJKSA-N 1 0 314.385 3.718 20 5 DHBDRO Cc1ccc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)nc1 ZINC000453605482 1024549950 /nfs/dbraw/zinc/54/99/50/1024549950.db2.gz SONDIGGFBTVQCV-UHFFFAOYSA-N 1 0 313.401 3.754 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(C)cn1 ZINC000453608906 1024550517 /nfs/dbraw/zinc/55/05/17/1024550517.db2.gz YOJKHXOPNPHAEH-XNTDXEJSSA-N 1 0 311.385 3.534 20 5 DHBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)O1 ZINC000453634395 1024557287 /nfs/dbraw/zinc/55/72/87/1024557287.db2.gz SHKMNHIKKQLVPI-DOMZBBRYSA-N 1 0 316.357 3.512 20 5 DHBDRO CC(F)(F)CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000296025860 1024617635 /nfs/dbraw/zinc/61/76/35/1024617635.db2.gz MTSBDNZYLYMCOW-UHFFFAOYSA-N 1 0 310.300 3.990 20 5 DHBDRO CCCO[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000108395595 1024639704 /nfs/dbraw/zinc/63/97/04/1024639704.db2.gz KIWBZVKDVHLPJV-YOEHRIQHSA-N 1 0 306.406 3.937 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]C(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC001170305677 1024731546 /nfs/dbraw/zinc/73/15/46/1024731546.db2.gz PJSRWRGHZSCASF-CYBMUJFWSA-N 1 0 308.422 3.805 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCc2nccs2)c2cc([N+](=O)[O-])ccc21 ZINC000279106600 1024733543 /nfs/dbraw/zinc/73/35/43/1024733543.db2.gz OWUCVFLMVRKHBC-CQSZACIVSA-N 1 0 317.414 3.606 20 5 DHBDRO CCC[N@H+](CC1CC1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170328786 1024745205 /nfs/dbraw/zinc/74/52/05/1024745205.db2.gz MRMDAMUOMTZDNU-ZDUSSCGKSA-N 1 0 306.406 3.656 20 5 DHBDRO CCC[N@H+](CC1CC1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170328785 1024745955 /nfs/dbraw/zinc/74/59/55/1024745955.db2.gz MRMDAMUOMTZDNU-CYBMUJFWSA-N 1 0 306.406 3.656 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170328632 1024746882 /nfs/dbraw/zinc/74/68/82/1024746882.db2.gz KXVVQYLVYVDLKT-CYBMUJFWSA-N 1 0 306.406 3.799 20 5 DHBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878080 1024821557 /nfs/dbraw/zinc/82/15/57/1024821557.db2.gz RVGSUSBLMMGUBG-WFASDCNBSA-N 1 0 321.377 3.952 20 5 DHBDRO CC1(C)CC[C@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC001170424645 1024865651 /nfs/dbraw/zinc/86/56/51/1024865651.db2.gz OGIGWHLLLVIHQZ-DOTOQJQBSA-N 1 0 318.417 3.732 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000134795052 1033243729 /nfs/dbraw/zinc/24/37/29/1033243729.db2.gz NNFAIGJFRIGYQR-YVSFHVDLSA-N 1 0 316.401 3.593 20 5 DHBDRO CCn1ncnc1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000793347610 1025017637 /nfs/dbraw/zinc/01/76/37/1025017637.db2.gz ZKIWHUIJMDQQAQ-UHFFFAOYSA-N 1 0 316.408 3.894 20 5 DHBDRO CC(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000051121179 1025127814 /nfs/dbraw/zinc/12/78/14/1025127814.db2.gz RSWQEKQRMBTYMY-GOSISDBHSA-N 1 0 324.384 3.958 20 5 DHBDRO CSCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134849645 1025135377 /nfs/dbraw/zinc/13/53/77/1025135377.db2.gz AHWWEDNKQFXVHC-JTQLQIEISA-N 1 0 302.827 3.822 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC001203162019 1025146098 /nfs/dbraw/zinc/14/60/98/1025146098.db2.gz VTQRLQRYAJGAHS-DZGCQCFKSA-N 1 0 306.406 3.765 20 5 DHBDRO Cc1cc(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c([N+](=O)[O-])s1 ZINC000884705757 1025231473 /nfs/dbraw/zinc/23/14/73/1025231473.db2.gz GXVGUFAMQZGXEG-UHFFFAOYSA-N 1 0 320.418 3.689 20 5 DHBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000353902025 1025284376 /nfs/dbraw/zinc/28/43/76/1025284376.db2.gz SXFDTQVLRJSYTM-QGZVFWFLSA-N 1 0 302.374 3.623 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000927016867 1033272958 /nfs/dbraw/zinc/27/29/58/1033272958.db2.gz LRAKTARQSROVJO-XJKSGUPXSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1ccncc1CCC[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463042 1025366913 /nfs/dbraw/zinc/36/69/13/1025366913.db2.gz ALFHUJOMOFTGCI-HNNXBMFYSA-N 1 0 313.401 3.624 20 5 DHBDRO Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463437 1025366981 /nfs/dbraw/zinc/36/69/81/1025366981.db2.gz FXRFRRVHYIRMFK-CYBMUJFWSA-N 1 0 316.405 3.574 20 5 DHBDRO Cc1[nH+]ccc(N2CCc3ccc([N+](=O)[O-])cc3C2)c1Cl ZINC000354160129 1025370572 /nfs/dbraw/zinc/37/05/72/1025370572.db2.gz BGRGRXVFFBZGCF-UHFFFAOYSA-N 1 0 303.749 3.514 20 5 DHBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000886020645 1025441016 /nfs/dbraw/zinc/44/10/16/1025441016.db2.gz FIIZWAPMVLHYGW-PBHICJAKSA-N 1 0 311.385 3.615 20 5 DHBDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000886016564 1025441130 /nfs/dbraw/zinc/44/11/30/1025441130.db2.gz HHGSPRQFAVPXNR-OCCSQVGLSA-N 1 0 312.797 3.686 20 5 DHBDRO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136897165 1025491176 /nfs/dbraw/zinc/49/11/76/1025491176.db2.gz QTDYVAABKMXGEQ-SFHVURJKSA-N 1 0 314.385 3.539 20 5 DHBDRO COC1(C)CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000354807888 1025512529 /nfs/dbraw/zinc/51/25/29/1025512529.db2.gz SSICZBDVXAJCSK-UHFFFAOYSA-N 1 0 306.406 3.719 20 5 DHBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805839048 1025680989 /nfs/dbraw/zinc/68/09/89/1025680989.db2.gz NGTCJWRPZMQRKN-UNEWFSDZSA-N 1 0 320.433 3.775 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H](C)c1cscn1 ZINC000573626200 1025737983 /nfs/dbraw/zinc/73/79/83/1025737983.db2.gz YOTZRZHSPZKXRZ-DSDFTUOUSA-N 1 0 303.387 3.805 20 5 DHBDRO COCC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000355772884 1025836494 /nfs/dbraw/zinc/83/64/94/1025836494.db2.gz ZXDAPYMMIXLJBK-QZDDGCDVSA-N 1 0 316.357 3.568 20 5 DHBDRO C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000120476369 1025920714 /nfs/dbraw/zinc/92/07/14/1025920714.db2.gz SHISSCAYMVVSFK-GUYCJALGSA-N 1 0 306.406 3.577 20 5 DHBDRO COC1(C[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000759999404 1026011418 /nfs/dbraw/zinc/01/14/18/1026011418.db2.gz KZEQTARXYMLQAF-LLVKDONJSA-N 1 0 312.797 3.686 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1N(C)C ZINC000089513335 1026052501 /nfs/dbraw/zinc/05/25/01/1026052501.db2.gz OASCJYDBJGUKCF-LBPRGKRZSA-N 1 0 317.364 3.651 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1N(C)C ZINC000089513336 1026054936 /nfs/dbraw/zinc/05/49/36/1026054936.db2.gz OASCJYDBJGUKCF-GFCCVEGCSA-N 1 0 317.364 3.651 20 5 DHBDRO CC(C)(C[NH2+]Cc1c2ccccc2cc2ccccc21)OCCO ZINC000808437727 1026285568 /nfs/dbraw/zinc/28/55/68/1026285568.db2.gz LNFUXQZXNINSFU-UHFFFAOYSA-N 1 0 323.436 3.870 20 5 DHBDRO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC12CCC2 ZINC000357062499 1026299691 /nfs/dbraw/zinc/29/96/91/1026299691.db2.gz FKAZMSVEEYKVQA-LBPRGKRZSA-N 1 0 315.373 3.748 20 5 DHBDRO Cc1csc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000063132631 1026647660 /nfs/dbraw/zinc/64/76/60/1026647660.db2.gz NFSUYXGTCQIRLK-LBPRGKRZSA-N 1 0 305.403 3.561 20 5 DHBDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000809975349 1026652638 /nfs/dbraw/zinc/65/26/38/1026652638.db2.gz GNESGDCJECCKAN-GFCCVEGCSA-N 1 0 321.204 3.662 20 5 DHBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987734 1026656804 /nfs/dbraw/zinc/65/68/04/1026656804.db2.gz KFDDYWPVMFZCKZ-SDBXPKJASA-N 1 0 319.188 3.559 20 5 DHBDRO CC1(C2CC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000810064409 1026676924 /nfs/dbraw/zinc/67/69/24/1026676924.db2.gz FXVMLYVIRUSYBP-UHFFFAOYSA-N 1 0 319.361 3.515 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421374844 1026969461 /nfs/dbraw/zinc/96/94/61/1026969461.db2.gz HOLFSGYAYNGAMB-CQSZACIVSA-N 1 0 306.431 3.526 20 5 DHBDRO CSC1(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000811454470 1027003572 /nfs/dbraw/zinc/00/35/72/1027003572.db2.gz LRWHKGNTFJDWNP-UHFFFAOYSA-N 1 0 314.838 3.966 20 5 DHBDRO CS[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811484752 1027009235 /nfs/dbraw/zinc/00/92/35/1027009235.db2.gz IXKMFJDYGGZJAL-ZETCQYMHSA-N 1 0 309.218 3.743 20 5 DHBDRO CCC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811479327 1027016882 /nfs/dbraw/zinc/01/68/82/1027016882.db2.gz CJTRNMFZGFVXDL-ZDUSSCGKSA-N 1 0 321.204 3.542 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355754145 1027106098 /nfs/dbraw/zinc/10/60/98/1027106098.db2.gz ZODQNVVMCJWPQQ-YOEHRIQHSA-N 1 0 304.390 3.548 20 5 DHBDRO CC[N@H+](CCOc1ccccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000571425683 1027125367 /nfs/dbraw/zinc/12/53/67/1027125367.db2.gz CQGULXJUEQBRIT-UHFFFAOYSA-N 1 0 314.385 3.804 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ncco2)CC1 ZINC000931449184 1027128185 /nfs/dbraw/zinc/12/81/85/1027128185.db2.gz SMDMCQGUJZXOLZ-LBPRGKRZSA-N 1 0 301.346 3.523 20 5 DHBDRO CCOC(=O)CCCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001170649570 1027135188 /nfs/dbraw/zinc/13/51/88/1027135188.db2.gz FAZJSENVKMMRQO-UHFFFAOYSA-N 1 0 322.405 3.543 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)c(F)c(F)c1 ZINC000561967564 1027150335 /nfs/dbraw/zinc/15/03/35/1027150335.db2.gz GHQCPAKCCQAFTP-UHFFFAOYSA-N 1 0 324.302 3.687 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000571997569 1027164858 /nfs/dbraw/zinc/16/48/58/1027164858.db2.gz UCEPVIXBMAEPDA-SWLSCSKDSA-N 1 0 324.808 3.639 20 5 DHBDRO CC1(C)CN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000573368919 1027286529 /nfs/dbraw/zinc/28/65/29/1027286529.db2.gz KUNRUQJNOKIXTI-HUUCEWRRSA-N 1 0 324.808 3.638 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCSC1 ZINC000573719947 1027318725 /nfs/dbraw/zinc/31/87/25/1027318725.db2.gz MTGWBLPOBLYUQE-XETPBLJFSA-N 1 0 306.431 3.731 20 5 DHBDRO CCC[C@@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157724359 1027359341 /nfs/dbraw/zinc/35/93/41/1027359341.db2.gz ZTMAEMCYXLUWRT-FUHWJXTLSA-N 1 0 317.433 3.510 20 5 DHBDRO CC(F)(F)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000296016645 1027518023 /nfs/dbraw/zinc/51/80/23/1027518023.db2.gz LZEHWKVXOABUSA-UHFFFAOYSA-N 1 0 310.300 3.990 20 5 DHBDRO COc1ccc(C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000576554848 1027630808 /nfs/dbraw/zinc/63/08/08/1027630808.db2.gz XUPQOXOOVOLKHT-SWLSCSKDSA-N 1 0 304.390 3.685 20 5 DHBDRO Cc1cccnc1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296540014 1027663427 /nfs/dbraw/zinc/66/34/27/1027663427.db2.gz QWUYRRNJKLBFSN-SFHVURJKSA-N 1 0 311.385 3.508 20 5 DHBDRO Cc1ncsc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000296596640 1027680720 /nfs/dbraw/zinc/68/07/20/1027680720.db2.gz VJBQLWBDMGTKCJ-LLVKDONJSA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000363886534 1027769854 /nfs/dbraw/zinc/76/98/54/1027769854.db2.gz IVIPYVQNICOEJT-UHFFFAOYSA-N 1 0 318.417 3.732 20 5 DHBDRO CSC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000814179418 1027918823 /nfs/dbraw/zinc/91/88/23/1027918823.db2.gz SVDIMYULFRGSPS-LBPRGKRZSA-N 1 0 314.838 3.823 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934333888 1027966132 /nfs/dbraw/zinc/96/61/32/1027966132.db2.gz RIAQWTCLRDNOGV-OLZOCXBDSA-N 1 0 317.414 3.677 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccc(C(F)F)nc2)cccc1[N+](=O)[O-] ZINC000601119238 1027994080 /nfs/dbraw/zinc/99/40/80/1027994080.db2.gz VXKBTYNSOYCCAX-UHFFFAOYSA-N 1 0 307.300 3.526 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601160309 1028010236 /nfs/dbraw/zinc/01/02/36/1028010236.db2.gz UASYDQUGAXPYHI-CKIUVGDASA-N 1 0 300.280 3.539 20 5 DHBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000934621135 1028054656 /nfs/dbraw/zinc/05/46/56/1028054656.db2.gz SAEQIWKKLMCAGZ-MLGOLLRUSA-N 1 0 313.357 3.694 20 5 DHBDRO COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000601277404 1028056861 /nfs/dbraw/zinc/05/68/61/1028056861.db2.gz DDVJQGJLWWXGDJ-QGZVFWFLSA-N 1 0 312.369 3.689 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000601305426 1028071688 /nfs/dbraw/zinc/07/16/88/1028071688.db2.gz XRFYXPKZWHKNMY-CYBMUJFWSA-N 1 0 312.369 3.518 20 5 DHBDRO Cc1c([C@@H]2CCC[N@H+]2[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000367336644 1028169607 /nfs/dbraw/zinc/16/96/07/1028169607.db2.gz WKFCDNREJGLJBM-SJCJKPOMSA-N 1 0 314.389 3.535 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000578964212 1028287809 /nfs/dbraw/zinc/28/78/09/1028287809.db2.gz DBFYXUPWHFRLHX-HUUCEWRRSA-N 1 0 318.417 3.903 20 5 DHBDRO CCc1nc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449152745 1028404880 /nfs/dbraw/zinc/40/48/80/1028404880.db2.gz AXUUFZFNQWMEOA-RYUDHWBXSA-N 1 0 319.430 3.896 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000449308166 1028527146 /nfs/dbraw/zinc/52/71/46/1028527146.db2.gz VCPAMKKAJDQNHJ-QWHCGFSZSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCC1CCOCC1 ZINC000449354343 1028588366 /nfs/dbraw/zinc/58/83/66/1028588366.db2.gz MPBDOOCSEVOAJS-HNNXBMFYSA-N 1 0 320.433 3.712 20 5 DHBDRO CC[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)OC ZINC000565624796 1028611173 /nfs/dbraw/zinc/61/11/73/1028611173.db2.gz FFNVJLAKOMFHPB-AWEZNQCLSA-N 1 0 320.414 3.838 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000449481021 1028680309 /nfs/dbraw/zinc/68/03/09/1028680309.db2.gz QKINOKZPJINQCZ-GFCCVEGCSA-N 1 0 324.808 3.687 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000371392848 1028700167 /nfs/dbraw/zinc/70/01/67/1028700167.db2.gz LMAPXXQFAHIEQB-UHFFFAOYSA-N 1 0 318.417 3.863 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)cc1 ZINC000449495428 1028706650 /nfs/dbraw/zinc/70/66/50/1028706650.db2.gz DEVIUDCGGVYREN-MRXNPFEDSA-N 1 0 312.369 3.680 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449505735 1028727782 /nfs/dbraw/zinc/72/77/82/1028727782.db2.gz XMOWYJXYVGKVNA-KRWDZBQOSA-N 1 0 311.385 3.678 20 5 DHBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449507822 1028729821 /nfs/dbraw/zinc/72/98/21/1028729821.db2.gz UIEFCTHZTCGGST-SUMWQHHRSA-N 1 0 306.406 3.575 20 5 DHBDRO CO[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449507821 1028730608 /nfs/dbraw/zinc/73/06/08/1028730608.db2.gz UIEFCTHZTCGGST-GUYCJALGSA-N 1 0 306.406 3.575 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H](C)O ZINC000449543967 1028759761 /nfs/dbraw/zinc/75/97/61/1028759761.db2.gz PLYBTIVEEDRAQS-IAQYHMDHSA-N 1 0 320.414 3.572 20 5 DHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000217889309 1028786113 /nfs/dbraw/zinc/78/61/13/1028786113.db2.gz WSCRLKAFMBNBLU-KBPBESRZSA-N 1 0 312.797 3.541 20 5 DHBDRO CCn1ccnc1[C@@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449563758 1028807511 /nfs/dbraw/zinc/80/75/11/1028807511.db2.gz YGPFWIRFEDIBSE-JWAFFJSPSA-N 1 0 314.389 3.565 20 5 DHBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000372769261 1028896002 /nfs/dbraw/zinc/89/60/02/1028896002.db2.gz UGKMATDVRKCGOE-INIZCTEOSA-N 1 0 311.385 3.808 20 5 DHBDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000449672423 1028898105 /nfs/dbraw/zinc/89/81/05/1028898105.db2.gz WDAAXNZBHGATTO-CYBMUJFWSA-N 1 0 316.405 3.785 20 5 DHBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000567893181 1028969208 /nfs/dbraw/zinc/96/92/08/1028969208.db2.gz IVWVWAUAJFLOQB-SECBINFHSA-N 1 0 313.195 3.588 20 5 DHBDRO Cc1cnc([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000374231794 1029249942 /nfs/dbraw/zinc/24/99/42/1029249942.db2.gz XSFKMORIHSGIPF-CQSZACIVSA-N 1 0 317.414 3.739 20 5 DHBDRO Cc1nc2cc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000570384986 1029361298 /nfs/dbraw/zinc/36/12/98/1029361298.db2.gz JBALHHREQPEKFX-JTQLQIEISA-N 1 0 324.340 3.522 20 5 DHBDRO CC[C@@H](N[C@@H](C)c1cn(C(C)C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000925227798 1029406738 /nfs/dbraw/zinc/40/67/38/1029406738.db2.gz BHSWYWIHOBTLLI-SWLSCSKDSA-N 1 0 317.393 3.569 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374806657 1029464910 /nfs/dbraw/zinc/46/49/10/1029464910.db2.gz MUFCOEFAANMEKX-UGSOOPFHSA-N 1 0 312.369 3.595 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCCC2CCCC2)cc1 ZINC000819121952 1029492072 /nfs/dbraw/zinc/49/20/72/1029492072.db2.gz KRPYRYKEAHHVHE-KRWDZBQOSA-N 1 0 306.406 3.578 20 5 DHBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1F ZINC000374924241 1029499985 /nfs/dbraw/zinc/49/99/85/1029499985.db2.gz CMWZYZHATSIWLU-MRXNPFEDSA-N 1 0 316.332 3.777 20 5 DHBDRO CC[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000925232559 1029792149 /nfs/dbraw/zinc/79/21/49/1029792149.db2.gz XQPUHSKWUUHGBQ-AFVSCTSBSA-N 1 0 304.390 3.593 20 5 DHBDRO CC(C)(C)OCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545933 1029906050 /nfs/dbraw/zinc/90/60/50/1029906050.db2.gz HYPGXCIKWFOQIX-OAHLLOKOSA-N 1 0 306.406 3.589 20 5 DHBDRO CCOC1CC(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451544107 1029909716 /nfs/dbraw/zinc/90/97/16/1029909716.db2.gz DSELMILMJLBGTG-BFHRDPOASA-N 1 0 318.417 3.589 20 5 DHBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000451612706 1029944643 /nfs/dbraw/zinc/94/46/43/1029944643.db2.gz MNPZPXLYBNRSQM-JLJPHGGASA-N 1 0 308.422 3.535 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCSC1 ZINC000865652401 1029962228 /nfs/dbraw/zinc/96/22/28/1029962228.db2.gz ZSRJKCTWEAGBHL-SSUFTNFISA-N 1 0 306.431 3.731 20 5 DHBDRO CC(C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000865746425 1030001492 /nfs/dbraw/zinc/00/14/92/1030001492.db2.gz NBKMHOYJKHOBPQ-MNDMWVCDSA-N 1 0 304.390 3.545 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC23CCOCC3)c(Cl)c1 ZINC000865778580 1030019177 /nfs/dbraw/zinc/01/91/77/1030019177.db2.gz WSWHYBJRFZKZIB-CYBMUJFWSA-N 1 0 324.808 3.545 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000924796933 1030190437 /nfs/dbraw/zinc/19/04/37/1030190437.db2.gz DQXPWKJSIDPGAN-OLZOCXBDSA-N 1 0 314.389 3.928 20 5 DHBDRO CSc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000357876157 1030232226 /nfs/dbraw/zinc/23/22/26/1030232226.db2.gz WTUHHIIIROLIDD-LBPRGKRZSA-N 1 0 317.414 3.871 20 5 DHBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866339163 1030239673 /nfs/dbraw/zinc/23/96/73/1030239673.db2.gz FTLRFKBSBZAJJS-BXKDBHETSA-N 1 0 322.302 3.986 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC(C)(F)F ZINC000866363514 1030257182 /nfs/dbraw/zinc/25/71/82/1030257182.db2.gz MFHYTXTVEMPMNV-SNVBAGLBSA-N 1 0 304.312 3.690 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC1(F)F ZINC000866367773 1030258915 /nfs/dbraw/zinc/25/89/15/1030258915.db2.gz OSFCJSXJCVBGHV-PWSUYJOCSA-N 1 0 316.323 3.690 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCSC1)CCC2 ZINC000866402782 1030281101 /nfs/dbraw/zinc/28/11/01/1030281101.db2.gz LWNTYFSFDRSKIF-WBMJQRKESA-N 1 0 306.431 3.705 20 5 DHBDRO CC1(C)C[C@H]([NH2+]Cc2ccnc(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000866474827 1030312480 /nfs/dbraw/zinc/31/24/80/1030312480.db2.gz OJACRENLKBQHQG-HNNXBMFYSA-N 1 0 315.348 3.641 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCS1 ZINC000866480025 1030315130 /nfs/dbraw/zinc/31/51/30/1030315130.db2.gz CRJQMNAFZVQTHP-FZMZJTMJSA-N 1 0 312.410 3.540 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000866528094 1030344083 /nfs/dbraw/zinc/34/40/83/1030344083.db2.gz BIOUKKFBTBVCBS-GJZGRUSLSA-N 1 0 318.417 3.761 20 5 DHBDRO CC[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533423297 1030343950 /nfs/dbraw/zinc/34/39/50/1030343950.db2.gz BUSHGTJSXFFRMZ-AWEZNQCLSA-N 1 0 315.373 3.667 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1[N+](=O)[O-] ZINC000866540881 1030362326 /nfs/dbraw/zinc/36/23/26/1030362326.db2.gz SJOJEFWONLYUSU-QGZVFWFLSA-N 1 0 315.348 3.678 20 5 DHBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000805840047 1030398425 /nfs/dbraw/zinc/39/84/25/1030398425.db2.gz WIRFSFKJFBBARA-KMFMINBZSA-N 1 0 320.433 3.775 20 5 DHBDRO C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000866621737 1030409543 /nfs/dbraw/zinc/40/95/43/1030409543.db2.gz JECJQFGBPAGIFD-XJKSGUPXSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000866621735 1030409829 /nfs/dbraw/zinc/40/98/29/1030409829.db2.gz JECJQFGBPAGIFD-CJNGLKHVSA-N 1 0 304.390 3.737 20 5 DHBDRO CC[C@H]([NH2+]C[C@H]1CCCCN1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358357024 1030452577 /nfs/dbraw/zinc/45/25/77/1030452577.db2.gz VTTDJXRTQULAPT-MSOLQXFVSA-N 1 0 319.449 3.898 20 5 DHBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC(F)(F)C1 ZINC000296682551 1030761050 /nfs/dbraw/zinc/76/10/50/1030761050.db2.gz BMGRVOVMJLNFBM-UHFFFAOYSA-N 1 0 304.724 3.725 20 5 DHBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742446 1030763740 /nfs/dbraw/zinc/76/37/40/1030763740.db2.gz NPHBAQMBFIICQG-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO CC[C@H]([NH2+]Cc1c2ccccc2cc2ccccc21)C(=O)NC ZINC000825316794 1030772742 /nfs/dbraw/zinc/77/27/42/1030772742.db2.gz UKASDUSONDKRQE-IBGZPJMESA-N 1 0 306.409 3.607 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000926894298 1030972789 /nfs/dbraw/zinc/97/27/89/1030972789.db2.gz XOCITYKSQJGUGG-CHWSQXEVSA-N 1 0 314.389 3.928 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000927067551 1031065359 /nfs/dbraw/zinc/06/53/59/1031065359.db2.gz NVEVTJUOWTZOTC-FDQGKXFDSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000927068216 1031067230 /nfs/dbraw/zinc/06/72/30/1031067230.db2.gz FXVRXRSJOBCGQP-JOQOYGCGSA-N 1 0 318.417 3.759 20 5 DHBDRO CC[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000359927193 1031201653 /nfs/dbraw/zinc/20/16/53/1031201653.db2.gz UPWRNUVFJUFGDL-YOEHRIQHSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000293172803 1031358971 /nfs/dbraw/zinc/35/89/71/1031358971.db2.gz STGTZNQVEGINKX-SMDDNHRTSA-N 1 0 320.780 3.532 20 5 DHBDRO COC1CCC(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872041289 1031425050 /nfs/dbraw/zinc/42/50/50/1031425050.db2.gz HCQYGFYPCXLWRI-PNESKVBLSA-N 1 0 310.369 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C)CCOCC1 ZINC000872047373 1031436172 /nfs/dbraw/zinc/43/61/72/1031436172.db2.gz ATCPBRWMTVDKOJ-LBPRGKRZSA-N 1 0 324.446 3.784 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC000872052503 1031440502 /nfs/dbraw/zinc/44/05/02/1031440502.db2.gz SOKRNDKLLFNUNZ-GFCCVEGCSA-N 1 0 317.414 3.871 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053921 1031443449 /nfs/dbraw/zinc/44/34/49/1031443449.db2.gz YLVYECSCSFRTEH-VHSXEESVSA-N 1 0 321.352 3.793 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC000293363568 1031443841 /nfs/dbraw/zinc/44/38/41/1031443841.db2.gz HMCMARJHYMKYCM-CQSZACIVSA-N 1 0 310.344 3.551 20 5 DHBDRO COc1ccc(C)cc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000536839132 1031450590 /nfs/dbraw/zinc/45/05/90/1031450590.db2.gz MLEZDHSZZLASQI-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000536857684 1031460472 /nfs/dbraw/zinc/46/04/72/1031460472.db2.gz LUNMQKSKKLKRMU-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000872065220 1031460740 /nfs/dbraw/zinc/46/07/40/1031460740.db2.gz VVSXOYXAZSRWQS-WCQYABFASA-N 1 0 308.403 3.660 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000536861335 1031460831 /nfs/dbraw/zinc/46/08/31/1031460831.db2.gz BZBRQZWMUCZGII-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000872066698 1031463226 /nfs/dbraw/zinc/46/32/26/1031463226.db2.gz KBUIDPKEWWLXKK-GHMZBOCLSA-N 1 0 312.460 3.720 20 5 DHBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872078840 1031473935 /nfs/dbraw/zinc/47/39/35/1031473935.db2.gz SPSNCRPZFCUGKA-USBNGQNGSA-N 1 0 324.446 3.781 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000872078080 1031474410 /nfs/dbraw/zinc/47/44/10/1031474410.db2.gz OZEYFOJPTUOVTP-OLZOCXBDSA-N 1 0 324.446 3.784 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077891 1031474718 /nfs/dbraw/zinc/47/47/18/1031474718.db2.gz NGFLHZJBGAJIOK-RYUDHWBXSA-N 1 0 310.369 3.590 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872080536 1031477514 /nfs/dbraw/zinc/47/75/14/1031477514.db2.gz RIUYJKBPQYYFJN-NEPJUHHUSA-N 1 0 324.421 3.918 20 5 DHBDRO COC1CC(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872083992 1031478612 /nfs/dbraw/zinc/47/86/12/1031478612.db2.gz GFDFFZYCIDARCO-LKSINWNRSA-N 1 0 324.446 3.782 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085117 1031481693 /nfs/dbraw/zinc/48/16/93/1031481693.db2.gz WMGGCRLBDPRSOL-APPDUMDISA-N 1 0 322.380 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000872089266 1031485307 /nfs/dbraw/zinc/48/53/07/1031485307.db2.gz WCQXYQGBIRZMHH-NWDGAFQWSA-N 1 0 324.446 3.782 20 5 DHBDRO CCC(CC)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000537052008 1031497547 /nfs/dbraw/zinc/49/75/47/1031497547.db2.gz PABIVFLYCRMJMR-KRWDZBQOSA-N 1 0 316.405 3.558 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000872138675 1031533138 /nfs/dbraw/zinc/53/31/38/1031533138.db2.gz XVTJYVFAYNPQOM-DOPJRALCSA-N 1 0 314.385 3.758 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000872138673 1031533846 /nfs/dbraw/zinc/53/38/46/1031533846.db2.gz XVTJYVFAYNPQOM-BVGQSLNGSA-N 1 0 314.385 3.758 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293641660 1031553044 /nfs/dbraw/zinc/55/30/44/1031553044.db2.gz IBRDKEWXBGNSAI-ZJUUUORDSA-N 1 0 321.327 3.867 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000293703453 1031579647 /nfs/dbraw/zinc/57/96/47/1031579647.db2.gz OODGIBGAYLCJNX-JTQLQIEISA-N 1 0 314.332 3.689 20 5 DHBDRO Cc1c(C[NH2+][C@@H](c2cccnc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000360882343 1031600827 /nfs/dbraw/zinc/60/08/27/1031600827.db2.gz DGHWIKWEDWQHDA-GOSISDBHSA-N 1 0 311.385 3.929 20 5 DHBDRO COc1cccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873008236 1031689860 /nfs/dbraw/zinc/68/98/60/1031689860.db2.gz PULAKUGFIXZALE-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNc1cccc(C[NH+](C)C)c1 ZINC000873019272 1031693394 /nfs/dbraw/zinc/69/33/94/1031693394.db2.gz LONDWPFIRSQJOW-UHFFFAOYSA-N 1 0 313.401 3.885 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000873081990 1031706104 /nfs/dbraw/zinc/70/61/04/1031706104.db2.gz YFKQZJXXVFOFAG-UHFFFAOYSA-N 1 0 312.369 3.532 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)C[C@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000873097356 1031709617 /nfs/dbraw/zinc/70/96/17/1031709617.db2.gz OOJHEZOCSYRBRF-NHYWBVRUSA-N 1 0 320.414 3.567 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000873101902 1031711395 /nfs/dbraw/zinc/71/13/95/1031711395.db2.gz DVRYMGDWBGAECM-JKSUJKDBSA-N 1 0 306.406 3.587 20 5 DHBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000930241821 1031753490 /nfs/dbraw/zinc/75/34/90/1031753490.db2.gz MSXMDWSMGJYECN-LBPRGKRZSA-N 1 0 322.714 3.676 20 5 DHBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000873217221 1031763642 /nfs/dbraw/zinc/76/36/42/1031763642.db2.gz KKBLTPJDMRPWDK-GOEBONIOSA-N 1 0 317.776 3.675 20 5 DHBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@]1(F)Cl ZINC000846040513 1031836232 /nfs/dbraw/zinc/83/62/32/1031836232.db2.gz UZQHQMQTJDHHJT-CHWSQXEVSA-N 1 0 304.724 3.528 20 5 DHBDRO OC1CC2(C[C@@H]2[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000897852066 1031856007 /nfs/dbraw/zinc/85/60/07/1031856007.db2.gz IQXGRAZJUFVHRL-WJAMPBCPSA-N 1 0 303.405 3.996 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1cncs1 ZINC000897932409 1031874134 /nfs/dbraw/zinc/87/41/34/1031874134.db2.gz LUPCWKFANWLGNC-NWDGAFQWSA-N 1 0 305.403 3.723 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000846187706 1031922016 /nfs/dbraw/zinc/92/20/16/1031922016.db2.gz KVNOHUMTYDHJAH-DEYYWGMASA-N 1 0 314.385 3.542 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@](C)(O)c1ccccc1 ZINC000846188257 1031922566 /nfs/dbraw/zinc/92/25/66/1031922566.db2.gz MRYXGMBOKNAKTB-IYOUNJFTSA-N 1 0 314.385 3.542 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000927029724 1033346398 /nfs/dbraw/zinc/34/63/98/1033346398.db2.gz FCXKQLHLAUKUTK-MBNYWOFBSA-N 1 0 324.446 3.928 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000877544417 1033347504 /nfs/dbraw/zinc/34/75/04/1033347504.db2.gz WWOHYJLEZJXGGX-CABCVRRESA-N 1 0 310.344 3.689 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000877604052 1033376822 /nfs/dbraw/zinc/37/68/22/1033376822.db2.gz HELOJZBUYPBKRS-MRXNPFEDSA-N 1 0 311.385 3.596 20 5 DHBDRO COc1cccc(C2([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000150897088 1033394678 /nfs/dbraw/zinc/39/46/78/1033394678.db2.gz ULJHWTLXSMSJNF-UHFFFAOYSA-N 1 0 312.369 3.691 20 5 DHBDRO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccccc1 ZINC000478033321 1033397163 /nfs/dbraw/zinc/39/71/63/1033397163.db2.gz LKKRDOMJPDCVKN-OAHLLOKOSA-N 1 0 316.405 3.655 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CCC(F)CC1)CC2 ZINC001172896855 1033434805 /nfs/dbraw/zinc/43/48/05/1033434805.db2.gz SSWHQLQIMZQVCF-HWOWSKLDSA-N 1 0 306.381 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCC[C@@H](F)C1)CC2 ZINC001172896797 1033435604 /nfs/dbraw/zinc/43/56/04/1033435604.db2.gz RVOVVJNBYSWCCA-OWCLPIDISA-N 1 0 306.381 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[C@@H](F)CC1)CC2 ZINC001172896857 1033435646 /nfs/dbraw/zinc/43/56/46/1033435646.db2.gz SSWHQLQIMZQVCF-OAGGEKHMSA-N 1 0 306.381 3.713 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccnc1 ZINC001172896876 1033435693 /nfs/dbraw/zinc/43/56/93/1033435693.db2.gz TUXMLMZEZYARLE-SUMWQHHRSA-N 1 0 311.385 3.588 20 5 DHBDRO CC(C)(C)OCCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904368 1033438183 /nfs/dbraw/zinc/43/81/83/1033438183.db2.gz MYUCXEHEWJSSRG-MRXNPFEDSA-N 1 0 320.433 3.637 20 5 DHBDRO C[N@H+](Cc1ccccc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908771 1033439977 /nfs/dbraw/zinc/43/99/77/1033439977.db2.gz NZDQDPOQTHRLKF-SFHVURJKSA-N 1 0 310.397 3.974 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H]3CCC[C@H]3C1)CC2 ZINC001172907001 1033440261 /nfs/dbraw/zinc/44/02/61/1033440261.db2.gz ZLZCZNHTGWJVOB-JCGIZDLHSA-N 1 0 314.429 3.964 20 5 DHBDRO C[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H]1C ZINC001172917850 1033464733 /nfs/dbraw/zinc/46/47/33/1033464733.db2.gz XMKXZPZYBPNMLB-KEYYUXOJSA-N 1 0 302.418 3.963 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H](C(F)F)C1)CC2 ZINC001172916098 1033464912 /nfs/dbraw/zinc/46/49/12/1033464912.db2.gz QQGCRXDVSDRBPB-CABCVRRESA-N 1 0 324.371 3.819 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172919317 1033467015 /nfs/dbraw/zinc/46/70/15/1033467015.db2.gz FVNDVBMDCYMMAN-PBHICJAKSA-N 1 0 302.418 3.964 20 5 DHBDRO CC(C)[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922633 1033470033 /nfs/dbraw/zinc/47/00/33/1033470033.db2.gz ZIZJOKBTVUSWIQ-SJLPKXTDSA-N 1 0 302.418 3.963 20 5 DHBDRO CCCCC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913020 1033486032 /nfs/dbraw/zinc/48/60/32/1033486032.db2.gz SMMYYPDGZKLPRD-XJKSGUPXSA-N 1 0 318.417 3.580 20 5 DHBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152129437 1033504551 /nfs/dbraw/zinc/50/45/51/1033504551.db2.gz HZORHTAEZCCMAA-CMPLNLGQSA-N 1 0 317.389 3.790 20 5 DHBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152129526 1033505381 /nfs/dbraw/zinc/50/53/81/1033505381.db2.gz HZORHTAEZCCMAA-JQWIXIFHSA-N 1 0 317.389 3.790 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccsc2)c1F ZINC001173175975 1033581635 /nfs/dbraw/zinc/58/16/35/1033581635.db2.gz WPWYZBCVCMCVOR-JTQLQIEISA-N 1 0 324.377 3.525 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCCCC2)c1F ZINC001173175243 1033582039 /nfs/dbraw/zinc/58/20/39/1033582039.db2.gz MEHUNGOENPWEAW-LLVKDONJSA-N 1 0 310.369 3.596 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C2CCCC2)c1F ZINC001173189833 1033583138 /nfs/dbraw/zinc/58/31/38/1033583138.db2.gz MNBPAZOYSGPTSE-LLVKDONJSA-N 1 0 310.369 3.548 20 5 DHBDRO CCC[NH+](CCC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185948 1033583414 /nfs/dbraw/zinc/58/34/14/1033583414.db2.gz QFFYTBIPHQTYND-LBPRGKRZSA-N 1 0 312.385 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c1F ZINC001173187507 1033584415 /nfs/dbraw/zinc/58/44/15/1033584415.db2.gz DXXVGQUHFPSNKO-AVGNSLFASA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1F ZINC001173195644 1033587915 /nfs/dbraw/zinc/58/79/15/1033587915.db2.gz HUTIWTZNPMHBJJ-AVGNSLFASA-N 1 0 324.396 3.651 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCCCCCC2)c1F ZINC001173197237 1033589343 /nfs/dbraw/zinc/58/93/43/1033589343.db2.gz RUBOIFNJGKZOGM-CYBMUJFWSA-N 1 0 324.396 3.940 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ncccc1C ZINC001173215370 1033597079 /nfs/dbraw/zinc/59/70/79/1033597079.db2.gz VNRFJLMVZSNLMS-YOEHRIQHSA-N 1 0 313.401 3.970 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCSCc1ccco1 ZINC001173215790 1033598207 /nfs/dbraw/zinc/59/82/07/1033598207.db2.gz ZTIQBCPXAVRGMM-ZDUSSCGKSA-N 1 0 320.414 3.642 20 5 DHBDRO Cc1ccc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001173215095 1033598421 /nfs/dbraw/zinc/59/84/21/1033598421.db2.gz RWHPREWFXCPSGX-LBPRGKRZSA-N 1 0 304.415 3.728 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)cnc1Cl ZINC001173220494 1033601007 /nfs/dbraw/zinc/60/10/07/1033601007.db2.gz FKTNVHXPZHTDAY-SNVBAGLBSA-N 1 0 323.755 3.503 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1cccs1 ZINC001173224986 1033602545 /nfs/dbraw/zinc/60/25/45/1033602545.db2.gz AIBGPFBMRHYORB-CYBMUJFWSA-N 1 0 304.415 3.762 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2sccc21 ZINC001173231088 1033605303 /nfs/dbraw/zinc/60/53/03/1033605303.db2.gz XHNBIOCHRKJTDA-XHDPSFHLSA-N 1 0 302.399 3.864 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cncc(Cl)c1 ZINC001173229336 1033605581 /nfs/dbraw/zinc/60/55/81/1033605581.db2.gz NAXAXGLQEBALSY-NWDGAFQWSA-N 1 0 319.792 3.925 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc(F)c1 ZINC001173230720 1033606299 /nfs/dbraw/zinc/60/62/99/1033606299.db2.gz ZWJDWYLMENFSJM-CYBMUJFWSA-N 1 0 302.349 3.797 20 5 DHBDRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001173232001 1033608175 /nfs/dbraw/zinc/60/81/75/1033608175.db2.gz CHVFSZHVYBMUCW-KBXCAEBGSA-N 1 0 313.401 3.908 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccncc1)C1CC1 ZINC001173233908 1033608260 /nfs/dbraw/zinc/60/82/60/1033608260.db2.gz LDRALKSMCCRBFT-UGSOOPFHSA-N 1 0 311.385 3.662 20 5 DHBDRO Cc1ccc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001173213254 1033615113 /nfs/dbraw/zinc/61/51/13/1033615113.db2.gz HIBYZZBJCYYIOC-INIZCTEOSA-N 1 0 312.413 3.975 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC000862473064 1033862845 /nfs/dbraw/zinc/86/28/45/1033862845.db2.gz CLPWMZALXCWOCA-NEPJUHHUSA-N 1 0 312.822 3.718 20 5 DHBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000175987269 1034062438 /nfs/dbraw/zinc/06/24/38/1034062438.db2.gz WZPPAAVIIXVSBJ-UHFFFAOYSA-N 1 0 306.312 3.898 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879998808 1034174515 /nfs/dbraw/zinc/17/45/15/1034174515.db2.gz ASFFLFUNFADKJX-GXFFZTMASA-N 1 0 302.296 3.930 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000802 1034175992 /nfs/dbraw/zinc/17/59/92/1034175992.db2.gz KXFPYIRUCCRRGU-MFKMUULPSA-N 1 0 302.296 3.930 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880000798 1034177905 /nfs/dbraw/zinc/17/79/05/1034177905.db2.gz KXFPYIRUCCRRGU-GWCFXTLKSA-N 1 0 302.296 3.930 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)cccc1[N+](=O)[O-] ZINC000178550127 1034244618 /nfs/dbraw/zinc/24/46/18/1034244618.db2.gz GDCQKYVVJQEOJL-KGLIPLIRSA-N 1 0 314.385 3.807 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880313430 1034292584 /nfs/dbraw/zinc/29/25/84/1034292584.db2.gz AOTWRBKIPQUURG-DGCLKSJQSA-N 1 0 303.387 3.602 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880466345 1034338285 /nfs/dbraw/zinc/33/82/85/1034338285.db2.gz MYPJJXYWAMUMJY-BXUZGUMPSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1CCCO1 ZINC000183180080 1034356725 /nfs/dbraw/zinc/35/67/25/1034356725.db2.gz XKHNRLMDVKQTPX-DYVFJYSZSA-N 1 0 323.392 3.603 20 5 DHBDRO Cc1c(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cnn1C ZINC001174390489 1034365683 /nfs/dbraw/zinc/36/56/83/1034365683.db2.gz HOEGYYPPPCTYJY-UHFFFAOYSA-N 1 0 303.369 3.756 20 5 DHBDRO CC[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000927159702 1034372095 /nfs/dbraw/zinc/37/20/95/1034372095.db2.gz HRXTVZDYVRVRON-HZPDHXFCSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C(F)(F)F ZINC000480667551 1034383198 /nfs/dbraw/zinc/38/31/98/1034383198.db2.gz RQSPZXWQLRDHDB-QWRGUYRKSA-N 1 0 304.312 3.704 20 5 DHBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000184268856 1034458954 /nfs/dbraw/zinc/45/89/54/1034458954.db2.gz VNSKJRGBUHCKSE-PEBXRYMYSA-N 1 0 311.450 3.850 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184297577 1034462563 /nfs/dbraw/zinc/46/25/63/1034462563.db2.gz SLBRSCGUCGWPGR-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865480494 1034671062 /nfs/dbraw/zinc/67/10/62/1034671062.db2.gz NUNOPGZHSPQGAZ-LLVKDONJSA-N 1 0 313.348 3.676 20 5 DHBDRO CCSc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000187793415 1034734609 /nfs/dbraw/zinc/73/46/09/1034734609.db2.gz QNFSXZXCXQYTPL-GFCCVEGCSA-N 1 0 317.414 3.953 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)ccc1Cl ZINC000777442454 1034745162 /nfs/dbraw/zinc/74/51/62/1034745162.db2.gz KHOPQZMIWXSDHC-OAHLLOKOSA-N 1 0 324.808 3.639 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000555794057 1034904748 /nfs/dbraw/zinc/90/47/48/1034904748.db2.gz QVVJIILTNXTOCL-YOEHRIQHSA-N 1 0 306.406 3.711 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000481776827 1034973777 /nfs/dbraw/zinc/97/37/77/1034973777.db2.gz IEEFLIJZXUXOGY-UHFFFAOYSA-N 1 0 324.380 3.521 20 5 DHBDRO C[C@H](C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC001175982323 1035173626 /nfs/dbraw/zinc/17/36/26/1035173626.db2.gz FOHFHENIAMQZDN-LLVKDONJSA-N 1 0 304.394 3.585 20 5 DHBDRO Cc1cc(Nc2c(N)c3cccnc3c3ncccc32)cc(C)[nH+]1 ZINC001176056681 1035198081 /nfs/dbraw/zinc/19/80/81/1035198081.db2.gz ATRGXKFUMJNVEH-UHFFFAOYSA-N 1 0 315.380 3.543 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C2CC3(C2)COC(C)(C)C3)cccc1[N+](=O)[O-] ZINC000903322192 1035297989 /nfs/dbraw/zinc/29/79/89/1035297989.db2.gz ASVMTSSXOCZTDR-VNSJNIRKSA-N 1 0 318.417 3.902 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000924799729 1035434802 /nfs/dbraw/zinc/43/48/02/1035434802.db2.gz UGYYBSWXQCKBCJ-OLZOCXBDSA-N 1 0 314.389 3.928 20 5 DHBDRO CSc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC001178609777 1035439400 /nfs/dbraw/zinc/43/94/00/1035439400.db2.gz JYWJCUJZLITVRD-UHFFFAOYSA-N 1 0 302.399 3.649 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037141580 1035611328 /nfs/dbraw/zinc/61/13/28/1035611328.db2.gz ZUYUHQOHFYFGDT-NEPJUHHUSA-N 1 0 302.296 3.806 20 5 DHBDRO CC[C@H](Cc1cccs1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC001180318197 1035640339 /nfs/dbraw/zinc/64/03/39/1035640339.db2.gz YSMJEFCXQICJCB-CYBMUJFWSA-N 1 0 320.414 3.776 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494699987 1035779541 /nfs/dbraw/zinc/77/95/41/1035779541.db2.gz AJCNDYSZYSLEOI-HIFRSBDPSA-N 1 0 304.390 3.547 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCOCC3CCC3)C2)cc1 ZINC001194476962 1035943274 /nfs/dbraw/zinc/94/32/74/1035943274.db2.gz GNBRZCXBYVVVBB-QGZVFWFLSA-N 1 0 318.417 3.591 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)(C2CC2)CC1 ZINC001194773183 1036035228 /nfs/dbraw/zinc/03/52/28/1036035228.db2.gz WVGOIBVKULRIOT-UHFFFAOYSA-N 1 0 304.390 3.616 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCCC(F)(F)C2)cc1 ZINC001181945797 1036052994 /nfs/dbraw/zinc/05/29/94/1036052994.db2.gz ONCRRAIVSUFECZ-AWEZNQCLSA-N 1 0 312.360 3.943 20 5 DHBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000443341650 1036075549 /nfs/dbraw/zinc/07/55/49/1036075549.db2.gz IWXUZHKKGWREDZ-UHFFFAOYSA-N 1 0 304.390 3.518 20 5 DHBDRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000773978553 1036100906 /nfs/dbraw/zinc/10/09/06/1036100906.db2.gz UPNRZZYBYFTAAU-GUYCJALGSA-N 1 0 306.406 3.529 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001195214422 1036183009 /nfs/dbraw/zinc/18/30/09/1036183009.db2.gz VCRRKXDHEMPJQP-CYBMUJFWSA-N 1 0 306.406 3.862 20 5 DHBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000271477978 1036252802 /nfs/dbraw/zinc/25/28/02/1036252802.db2.gz MWLQESKYLOTYBP-QGZVFWFLSA-N 1 0 312.369 3.771 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C2CCCCC2)C1 ZINC000541717949 1036409243 /nfs/dbraw/zinc/40/92/43/1036409243.db2.gz KJASUFWORMZBPY-RDTXWAMCSA-N 1 0 318.417 3.937 20 5 DHBDRO CCCCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803257 1036421836 /nfs/dbraw/zinc/42/18/36/1036421836.db2.gz WDPXBDMWNRORGJ-CQSZACIVSA-N 1 0 319.405 3.578 20 5 DHBDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000541772473 1036429726 /nfs/dbraw/zinc/42/97/26/1036429726.db2.gz BEHLAQQQNDBMQU-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000464770175 1036448310 /nfs/dbraw/zinc/44/83/10/1036448310.db2.gz FKZWSYVGCWKDEI-XJKSGUPXSA-N 1 0 324.446 3.580 20 5 DHBDRO Cc1cnn(CCCCC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271700569 1036481133 /nfs/dbraw/zinc/48/11/33/1036481133.db2.gz HHQZAPKAWPLIBC-OAHLLOKOSA-N 1 0 316.405 3.621 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001183371854 1036585820 /nfs/dbraw/zinc/58/58/20/1036585820.db2.gz UVFWYIRPVLUDSM-OPPWZJLSSA-N 1 0 318.442 3.683 20 5 DHBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301060622 1036732400 /nfs/dbraw/zinc/73/24/00/1036732400.db2.gz RBRZMROHHCLXLH-LLVKDONJSA-N 1 0 317.311 3.510 20 5 DHBDRO C[C@H]1c2sccc2CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001197431449 1036775259 /nfs/dbraw/zinc/77/52/59/1036775259.db2.gz FJSSGHRBXHIZGA-LBPRGKRZSA-N 1 0 318.398 3.654 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000081599214 1036990592 /nfs/dbraw/zinc/99/05/92/1036990592.db2.gz NCDYGDHKLQKWNT-GFCCVEGCSA-N 1 0 320.414 3.728 20 5 DHBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001184999293 1036998971 /nfs/dbraw/zinc/99/89/71/1036998971.db2.gz VZXBXZWVUJCIAW-UPJWGTAASA-N 1 0 309.385 3.512 20 5 DHBDRO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000090586635 1037124874 /nfs/dbraw/zinc/12/48/74/1037124874.db2.gz MWEQXBYTKOBGDY-HOTGVXAUSA-N 1 0 319.449 3.613 20 5 DHBDRO Cc1cccc(OCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000387119062 1037151545 /nfs/dbraw/zinc/15/15/45/1037151545.db2.gz GXNMNLQTTSRLRA-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO CC[NH+](CC)CCCCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001185726379 1037221553 /nfs/dbraw/zinc/22/15/53/1037221553.db2.gz LPAWCERNGLKSHX-UHFFFAOYSA-N 1 0 316.405 3.677 20 5 DHBDRO Cc1ccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000597226999 1037246144 /nfs/dbraw/zinc/24/61/44/1037246144.db2.gz ZDNIFMXDCZRNFH-GOSISDBHSA-N 1 0 318.417 3.684 20 5 DHBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000489072899 1037248239 /nfs/dbraw/zinc/24/82/39/1037248239.db2.gz KMONQWIWJUKFSV-ZDUSSCGKSA-N 1 0 302.349 3.797 20 5 DHBDRO CC[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000489141496 1037276452 /nfs/dbraw/zinc/27/64/52/1037276452.db2.gz SGIUSPXLHNPTDE-UHFFFAOYSA-N 1 0 320.414 3.730 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000489154047 1037288991 /nfs/dbraw/zinc/28/89/91/1037288991.db2.gz OPLVABOBZXHURL-NVXWUHKLSA-N 1 0 317.433 3.524 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOc2ccccc2)cc1Cl ZINC000761522230 1037346614 /nfs/dbraw/zinc/34/66/14/1037346614.db2.gz MUTQRKOIKMXGHC-UHFFFAOYSA-N 1 0 320.776 3.807 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000776028596 1037355685 /nfs/dbraw/zinc/35/56/85/1037355685.db2.gz DGNRWHDOMUKKJT-AWEZNQCLSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@H](C)[NH2+][C@@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC001186405360 1037389195 /nfs/dbraw/zinc/38/91/95/1037389195.db2.gz KACVZGOSHUGNAP-JQWIXIFHSA-N 1 0 309.391 3.791 20 5 DHBDRO CC[C@H](C)[NH2+][C@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC001186404995 1037389561 /nfs/dbraw/zinc/38/95/61/1037389561.db2.gz KACVZGOSHUGNAP-CMPLNLGQSA-N 1 0 309.391 3.791 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090727877 1037443529 /nfs/dbraw/zinc/44/35/29/1037443529.db2.gz LDYWFEPBNXEYMP-NEPJUHHUSA-N 1 0 317.389 3.962 20 5 DHBDRO CC(C)CCOC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194341959 1037450900 /nfs/dbraw/zinc/45/09/00/1037450900.db2.gz APGIFMJATXEWDB-UHFFFAOYSA-N 1 0 320.433 3.664 20 5 DHBDRO CCOc1cc(N[C@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC001187035503 1037561973 /nfs/dbraw/zinc/56/19/73/1037561973.db2.gz YNMYXSOOSNTDDL-CQSZACIVSA-N 1 0 321.421 3.526 20 5 DHBDRO O=[N+]([O-])c1cc(O)cc(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001201221485 1037579576 /nfs/dbraw/zinc/57/95/76/1037579576.db2.gz CICALVPLRREHJD-UHFFFAOYSA-N 1 0 313.357 3.640 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@@H](C4CC4)C3)c2c1 ZINC000763334247 1037587828 /nfs/dbraw/zinc/58/78/28/1037587828.db2.gz VTEUMGQHWSZIEY-LLVKDONJSA-N 1 0 319.386 3.561 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090774586 1037598840 /nfs/dbraw/zinc/59/88/40/1037598840.db2.gz WPCWVVPFGZYPFJ-VXGBXAGGSA-N 1 0 318.398 3.763 20 5 DHBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000490538059 1037735550 /nfs/dbraw/zinc/73/55/50/1037735550.db2.gz DZEJVTNCBAHMEM-SJCJKPOMSA-N 1 0 300.333 3.927 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccsc1 ZINC000029622860 1037831596 /nfs/dbraw/zinc/83/15/96/1037831596.db2.gz FLMRKSLIFHNCBZ-AWEZNQCLSA-N 1 0 320.418 3.546 20 5 DHBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCCO1 ZINC000491079262 1037894669 /nfs/dbraw/zinc/89/46/69/1037894669.db2.gz SJYOIOYJGIQSTJ-HNNXBMFYSA-N 1 0 310.369 3.515 20 5 DHBDRO CCCC[C@@H](CC)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001190331236 1038299670 /nfs/dbraw/zinc/29/96/70/1038299670.db2.gz AHCLCHAFEAMDEV-MRXNPFEDSA-N 1 0 319.449 3.933 20 5 DHBDRO CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC001190485734 1038318735 /nfs/dbraw/zinc/31/87/35/1038318735.db2.gz QECYSRHFDRGBRR-GOSISDBHSA-N 1 0 320.433 3.921 20 5 DHBDRO CCC(CC)[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000588977333 1038414729 /nfs/dbraw/zinc/41/47/29/1038414729.db2.gz UWQCLYPZZOPRKD-UHFFFAOYSA-N 1 0 321.421 3.742 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2cnccc2c1 ZINC000589183628 1038444989 /nfs/dbraw/zinc/44/49/89/1038444989.db2.gz APEHFYNCBDDTNL-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000589515130 1038498578 /nfs/dbraw/zinc/49/85/78/1038498578.db2.gz DADBYUOSZHPTBC-AAEUAGOBSA-N 1 0 314.389 3.553 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000589521540 1038500393 /nfs/dbraw/zinc/50/03/93/1038500393.db2.gz FKXZXJHDGVBWRJ-MAUKXSAKSA-N 1 0 324.380 3.593 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cs1 ZINC000589743976 1038535137 /nfs/dbraw/zinc/53/51/37/1038535137.db2.gz VKOWHAMJPSQMSM-ZNMIVQPWSA-N 1 0 324.446 3.562 20 5 DHBDRO CCOc1cncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000598634613 1038792703 /nfs/dbraw/zinc/79/27/03/1038792703.db2.gz PRWCRZBRSPUUHA-ZDUSSCGKSA-N 1 0 315.373 3.548 20 5 DHBDRO CCOc1cncc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000598634612 1038793989 /nfs/dbraw/zinc/79/39/89/1038793989.db2.gz PRWCRZBRSPUUHA-CYBMUJFWSA-N 1 0 315.373 3.548 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000598677643 1038817193 /nfs/dbraw/zinc/81/71/93/1038817193.db2.gz QSRSWFCOUFBKNE-AEGPPILISA-N 1 0 324.371 3.941 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCSCC1)CCCC2 ZINC000591348359 1038837387 /nfs/dbraw/zinc/83/73/87/1038837387.db2.gz XCQYFSFDMJJILY-MRXNPFEDSA-N 1 0 306.431 3.848 20 5 DHBDRO CS[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593653776 1038966190 /nfs/dbraw/zinc/96/61/90/1038966190.db2.gz JTQWQDZIBBLISP-CSVMTYNTSA-N 1 0 306.431 3.872 20 5 DHBDRO CC[C@H](OCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000593664264 1038997769 /nfs/dbraw/zinc/99/77/69/1038997769.db2.gz IPHXWOVDXBJHFJ-SFHVURJKSA-N 1 0 314.385 3.852 20 5 DHBDRO CC[C@@H](OCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000593664608 1038998027 /nfs/dbraw/zinc/99/80/27/1038998027.db2.gz PUMDXYKWMJVKLW-GOSISDBHSA-N 1 0 314.385 3.852 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000599075006 1039029471 /nfs/dbraw/zinc/02/94/71/1039029471.db2.gz ZNASPFKFWVYSRR-PBHICJAKSA-N 1 0 317.433 3.571 20 5 DHBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000593677181 1039043026 /nfs/dbraw/zinc/04/30/26/1039043026.db2.gz SZWWGCVMQPTHFZ-QGZVFWFLSA-N 1 0 300.333 3.819 20 5 DHBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000061174163 1039071862 /nfs/dbraw/zinc/07/18/62/1039071862.db2.gz YTWRGRNEFQFGBR-UHFFFAOYSA-N 1 0 311.385 3.803 20 5 DHBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000225514778 1039085785 /nfs/dbraw/zinc/08/57/85/1039085785.db2.gz GILSAIQMPOMBBC-NWDGAFQWSA-N 1 0 300.811 3.622 20 5 DHBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000592144792 1039138369 /nfs/dbraw/zinc/13/83/69/1039138369.db2.gz IVVRZKUHLBLNBC-ZDUSSCGKSA-N 1 0 321.421 3.598 20 5 DHBDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-])CCOCC2 ZINC000592181476 1039162891 /nfs/dbraw/zinc/16/28/91/1039162891.db2.gz FBTDLLQEEODISR-LBPRGKRZSA-N 1 0 324.808 3.639 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592392410 1039174779 /nfs/dbraw/zinc/17/47/79/1039174779.db2.gz RSABKKNLTWLSOY-GHMZBOCLSA-N 1 0 316.348 3.935 20 5 DHBDRO CC(C)C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000592387694 1039187814 /nfs/dbraw/zinc/18/78/14/1039187814.db2.gz GNDLYNGZNWAJSZ-SFHVURJKSA-N 1 0 313.401 3.909 20 5 DHBDRO CC(C)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000592387503 1039187862 /nfs/dbraw/zinc/18/78/62/1039187862.db2.gz MQFPLAWMNCYPCO-SFHVURJKSA-N 1 0 313.401 3.909 20 5 DHBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(Cl)c1 ZINC000058575227 1039280328 /nfs/dbraw/zinc/28/03/28/1039280328.db2.gz ZUDDNRWBLPIZOY-UHFFFAOYSA-N 1 0 320.776 3.759 20 5 DHBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000604013189 1039281312 /nfs/dbraw/zinc/28/13/12/1039281312.db2.gz NZWYUKUFYKOZMU-OAHLLOKOSA-N 1 0 304.390 3.758 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[C@H]2CC[NH2+]C2)c(-c2cccs2)c1 ZINC000574150865 1039404981 /nfs/dbraw/zinc/40/49/81/1039404981.db2.gz PBFYGQMUSFJOOC-GFCCVEGCSA-N 1 0 318.398 3.702 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C)(CC(F)F)C1 ZINC000592522920 1039595573 /nfs/dbraw/zinc/59/55/73/1039595573.db2.gz IBWFVHOSMTXEEP-WUXMJOGZSA-N 1 0 310.344 3.975 20 5 DHBDRO CCOc1ccccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000046598927 1039762153 /nfs/dbraw/zinc/76/21/53/1039762153.db2.gz GPGFEEONDWQLQE-UHFFFAOYSA-N 1 0 300.358 3.626 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c(Cl)c1 ZINC000594509025 1039806122 /nfs/dbraw/zinc/80/61/22/1039806122.db2.gz GSWVWUUKXIAEEA-HZPDHXFCSA-N 1 0 324.808 3.686 20 5 DHBDRO COc1c(C)cccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594512573 1039816552 /nfs/dbraw/zinc/81/65/52/1039816552.db2.gz WFSKPAIYVKPDSQ-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594514686 1039819015 /nfs/dbraw/zinc/81/90/15/1039819015.db2.gz ZGNLRGJZMXEALU-VUCTXSBTSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594514685 1039820035 /nfs/dbraw/zinc/82/00/35/1039820035.db2.gz ZGNLRGJZMXEALU-JCURWCKSSA-N 1 0 304.390 3.593 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594517915 1039826390 /nfs/dbraw/zinc/82/63/90/1039826390.db2.gz DADNVDKZQRKPBK-XIRDDKMYSA-N 1 0 317.433 3.571 20 5 DHBDRO COc1c(C)cccc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000594520660 1039827545 /nfs/dbraw/zinc/82/75/45/1039827545.db2.gz KGTQAULPPIPCFG-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594520368 1039827905 /nfs/dbraw/zinc/82/79/05/1039827905.db2.gz NPACSSBLGGIFRY-UWWQBHOKSA-N 1 0 320.433 3.853 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594521254 1039829431 /nfs/dbraw/zinc/82/94/31/1039829431.db2.gz SXWCHGMMVMEGJG-QGTPRVQTSA-N 1 0 317.433 3.571 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000594521167 1039829750 /nfs/dbraw/zinc/82/97/50/1039829750.db2.gz SAOSXHFJQWXINV-CZUORRHYSA-N 1 0 316.401 3.664 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000168201895 1039833959 /nfs/dbraw/zinc/83/39/59/1039833959.db2.gz UGYHMDUEBNWQJN-GHMZBOCLSA-N 1 0 303.362 3.920 20 5 DHBDRO COCc1csc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000594725080 1039897897 /nfs/dbraw/zinc/89/78/97/1039897897.db2.gz JJMGJSWQQWRRGQ-NSHDSACASA-N 1 0 306.387 3.654 20 5 DHBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000059391549 1039950609 /nfs/dbraw/zinc/95/06/09/1039950609.db2.gz ZWJSNPQZLPRHCE-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026294 1039950614 /nfs/dbraw/zinc/95/06/14/1039950614.db2.gz IJASOMHFLJLWRP-ZFWWWQNUSA-N 1 0 304.390 3.689 20 5 DHBDRO COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1C ZINC000594999874 1040013960 /nfs/dbraw/zinc/01/39/60/1040013960.db2.gz XNLXDLOFWOKPRS-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000595029277 1040036999 /nfs/dbraw/zinc/03/69/99/1040036999.db2.gz YHLFXDDQDLFSOW-OLZOCXBDSA-N 1 0 322.405 3.613 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[C@H]1CCCCO1 ZINC000595031067 1040039566 /nfs/dbraw/zinc/03/95/66/1040039566.db2.gz DLXNNBDCWYYWJH-UKRRQHHQSA-N 1 0 322.405 3.603 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000595034027 1040043352 /nfs/dbraw/zinc/04/33/52/1040043352.db2.gz ORKTWIGTNOKCSR-IAQYHMDHSA-N 1 0 322.405 3.600 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000595047298 1040046568 /nfs/dbraw/zinc/04/65/68/1040046568.db2.gz CXJGKROKVZININ-FZKQIMNGSA-N 1 0 311.385 3.761 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000595048801 1040049765 /nfs/dbraw/zinc/04/97/65/1040049765.db2.gz JTVDTDZSNYBIKF-SECBINFHSA-N 1 0 318.295 3.597 20 5 DHBDRO COCc1csc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000595075388 1040069933 /nfs/dbraw/zinc/06/99/33/1040069933.db2.gz ANTAFGZHYOWYNB-HNNXBMFYSA-N 1 0 318.398 3.580 20 5 DHBDRO C[C@@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000595079544 1040073944 /nfs/dbraw/zinc/07/39/44/1040073944.db2.gz KHRBYMOSIALZGN-GJZGRUSLSA-N 1 0 310.344 3.997 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000595089890 1040076760 /nfs/dbraw/zinc/07/67/60/1040076760.db2.gz QDQUXGBUWZWIJU-KPZWWZAWSA-N 1 0 312.369 3.947 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595329902 1040099603 /nfs/dbraw/zinc/09/96/03/1040099603.db2.gz DOVPNIQCTLYIRM-KBPBESRZSA-N 1 0 312.410 3.840 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000595488991 1040141585 /nfs/dbraw/zinc/14/15/85/1040141585.db2.gz MTNVHUDPMWSPOD-CQSZACIVSA-N 1 0 315.348 3.509 20 5 DHBDRO CC[C@H](CC(F)F)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595485040 1040142216 /nfs/dbraw/zinc/14/22/16/1040142216.db2.gz QFPXXEHYBNWBFF-GFCCVEGCSA-N 1 0 300.349 3.751 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595503142 1040154850 /nfs/dbraw/zinc/15/48/50/1040154850.db2.gz QRQYICPOQJHSQY-CYBMUJFWSA-N 1 0 315.348 3.509 20 5 DHBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595543368 1040171124 /nfs/dbraw/zinc/17/11/24/1040171124.db2.gz YOKPNSVFNCLZJW-ZDUSSCGKSA-N 1 0 317.364 3.630 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000595764884 1040234503 /nfs/dbraw/zinc/23/45/03/1040234503.db2.gz FYZCRYIBGYNYFK-CYBMUJFWSA-N 1 0 302.296 3.892 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595830129 1040264501 /nfs/dbraw/zinc/26/45/01/1040264501.db2.gz BAACLPXHTLUFST-RDTXWAMCSA-N 1 0 312.369 3.809 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000063511814 1040338885 /nfs/dbraw/zinc/33/88/85/1040338885.db2.gz FKTAKIAODLWFHV-UHFFFAOYSA-N 1 0 321.421 3.646 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3[nH+]ccc4[nH]ccc43)C2)cc1 ZINC000596254703 1040360443 /nfs/dbraw/zinc/36/04/43/1040360443.db2.gz MGOYRUMQIXYYSW-CQSZACIVSA-N 1 0 322.368 3.855 20 5 DHBDRO C[NH+](C)C1CCC2(CC1)CCN(c1sccc1[N+](=O)[O-])CC2 ZINC000596255132 1040363731 /nfs/dbraw/zinc/36/37/31/1040363731.db2.gz KIBPFCGGAOFMQO-UHFFFAOYSA-N 1 0 323.462 3.747 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174350065 1040630196 /nfs/dbraw/zinc/63/01/96/1040630196.db2.gz GIGGLRIVAARAGA-ZIAGYGMSSA-N 1 0 312.410 3.840 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000608976694 1040656500 /nfs/dbraw/zinc/65/65/00/1040656500.db2.gz IKHZGWPKXVKARN-CQSZACIVSA-N 1 0 314.385 3.839 20 5 DHBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000064114100 1040671275 /nfs/dbraw/zinc/67/12/75/1040671275.db2.gz DSLWBTAQFYPQQN-ZDUSSCGKSA-N 1 0 305.403 3.680 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CNc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000593321018 1040712133 /nfs/dbraw/zinc/71/21/33/1040712133.db2.gz WMDCDYZEEKWHIE-HIFRSBDPSA-N 1 0 311.385 3.591 20 5 DHBDRO CCC(CC)[C@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000601683842 1040733180 /nfs/dbraw/zinc/73/31/80/1040733180.db2.gz ARARUKKSJGCPCF-KRWDZBQOSA-N 1 0 321.421 3.576 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH3+])c2ccccc21 ZINC000601963009 1040843084 /nfs/dbraw/zinc/84/30/84/1040843084.db2.gz HYSFTDNZSTWDFN-ZIAGYGMSSA-N 1 0 311.385 3.608 20 5 DHBDRO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000594514881 1040873841 /nfs/dbraw/zinc/87/38/41/1040873841.db2.gz LRMUAGSUKFYWGR-FZKQIMNGSA-N 1 0 311.385 3.588 20 5 DHBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1N ZINC000602441154 1041032880 /nfs/dbraw/zinc/03/28/80/1041032880.db2.gz UKTZUDSVUBMKJG-UHFFFAOYSA-N 1 0 317.364 3.727 20 5 DHBDRO Cc1csc(CCCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602533589 1041092843 /nfs/dbraw/zinc/09/28/43/1041092843.db2.gz OPRYEFYMORKFBF-UHFFFAOYSA-N 1 0 319.430 3.515 20 5 DHBDRO CC(F)(F)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602672823 1041142883 /nfs/dbraw/zinc/14/28/83/1041142883.db2.gz PPSMIGXMJVHWCQ-UHFFFAOYSA-N 1 0 312.238 3.749 20 5 DHBDRO Cc1nn(CN(C)Cc2ccccc2C)c2cc([N+](=O)[O-])ccc12 ZINC000761273324 1041174733 /nfs/dbraw/zinc/17/47/33/1041174733.db2.gz OHLXWOARNLYDFY-UHFFFAOYSA-N 1 0 324.384 3.651 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)c(F)c1 ZINC000602853648 1041266825 /nfs/dbraw/zinc/26/68/25/1041266825.db2.gz KBLRSIGUZVPBPN-CQSZACIVSA-N 1 0 315.348 3.509 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C)([NH+]2CCCC2)CC1 ZINC000602952264 1041327268 /nfs/dbraw/zinc/32/72/68/1041327268.db2.gz TZMBAAWVPXHIBA-HNNXBMFYSA-N 1 0 317.433 3.606 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CC=CCC3)cs2)c1 ZINC000076771152 185039531 /nfs/dbraw/zinc/03/95/31/185039531.db2.gz AJOLAKSDWIMOFM-CYBMUJFWSA-N 1 0 315.398 3.917 20 5 DHBDRO Cc1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000092454148 185319467 /nfs/dbraw/zinc/31/94/67/185319467.db2.gz KPRVFJJZVLTOJV-UHFFFAOYSA-N 1 0 306.406 3.683 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000081595014 192299119 /nfs/dbraw/zinc/29/91/19/192299119.db2.gz CITFPABOHGHOCK-UHFFFAOYSA-N 1 0 317.414 3.653 20 5 DHBDRO CC(C)COC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092223025 193176451 /nfs/dbraw/zinc/17/64/51/193176451.db2.gz LSIJRLZUJJICAQ-FNORWQNLSA-N 1 0 318.417 3.745 20 5 DHBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC000093475674 193257171 /nfs/dbraw/zinc/25/71/71/193257171.db2.gz POTUOBRIPCYQBD-UHFFFAOYSA-N 1 0 303.387 3.703 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000022745659 182332360 /nfs/dbraw/zinc/33/23/60/182332360.db2.gz QBOKKMOAFDYLBJ-CYBMUJFWSA-N 1 0 300.358 3.796 20 5 DHBDRO CC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104661609 194022758 /nfs/dbraw/zinc/02/27/58/194022758.db2.gz BYKKOQCWUJSRCS-UHFFFAOYSA-N 1 0 315.373 3.524 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000059387626 184137833 /nfs/dbraw/zinc/13/78/33/184137833.db2.gz ZACREXPTRGDYCM-INIZCTEOSA-N 1 0 309.385 3.656 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000184223004 335064087 /nfs/dbraw/zinc/06/40/87/335064087.db2.gz RKPQQCPDRJNGHC-FZMZJTMJSA-N 1 0 308.353 3.507 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCOCC1 ZINC000271974008 129986960 /nfs/dbraw/zinc/98/69/60/129986960.db2.gz NPEZGZMENZTIPD-ZIAGYGMSSA-N 1 0 324.446 3.624 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000272409653 130027525 /nfs/dbraw/zinc/02/75/25/130027525.db2.gz FOQPBSMSGHVPKD-ZIAGYGMSSA-N 1 0 314.389 3.567 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cncs1 ZINC000272644896 130049821 /nfs/dbraw/zinc/04/98/21/130049821.db2.gz OWJATICWWRYUJN-VIFPVBQESA-N 1 0 311.794 3.598 20 5 DHBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000273092060 130088961 /nfs/dbraw/zinc/08/89/61/130088961.db2.gz SSEKKEOUTOBUJF-RYUDHWBXSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276240131 130460412 /nfs/dbraw/zinc/46/04/12/130460412.db2.gz UMPTYEFOZJGVDI-IJLUTSLNSA-N 1 0 316.361 3.579 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000277223145 130591316 /nfs/dbraw/zinc/59/13/16/130591316.db2.gz XWAAJISSLGNKCG-SMDDNHRTSA-N 1 0 310.344 3.693 20 5 DHBDRO CCc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000283981724 131038509 /nfs/dbraw/zinc/03/85/09/131038509.db2.gz GXGKVPLNZJLELL-SNVBAGLBSA-N 1 0 305.403 3.652 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285228036 131149836 /nfs/dbraw/zinc/14/98/36/131149836.db2.gz PCUUHKFLHINMCH-HWPZZCPQSA-N 1 0 315.348 3.654 20 5 DHBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]2c2ccncc2)c(F)c1 ZINC000285771918 131201353 /nfs/dbraw/zinc/20/13/53/131201353.db2.gz WTFXFHZKOSJABY-MRXNPFEDSA-N 1 0 319.311 3.605 20 5 DHBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000289249058 131368685 /nfs/dbraw/zinc/36/86/85/131368685.db2.gz CGERKMUKRYDTNG-OAHLLOKOSA-N 1 0 320.414 3.506 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000290269280 131471063 /nfs/dbraw/zinc/47/10/63/131471063.db2.gz LHOKGZCAGGFGAK-DOPJRALCSA-N 1 0 314.385 3.758 20 5 DHBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000290628805 131504727 /nfs/dbraw/zinc/50/47/27/131504727.db2.gz XTETUMJSFWIRSG-ZDUSSCGKSA-N 1 0 315.373 3.582 20 5 DHBDRO Cc1ccc([C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000120547845 132144629 /nfs/dbraw/zinc/14/46/29/132144629.db2.gz STVCJFNQCNAOFS-ZDUSSCGKSA-N 1 0 319.449 3.863 20 5 DHBDRO COCc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000121424435 132155586 /nfs/dbraw/zinc/15/55/86/132155586.db2.gz WNVLAAPKABGZFV-ZDUSSCGKSA-N 1 0 300.358 3.592 20 5 DHBDRO CCCOC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000570729352 332808094 /nfs/dbraw/zinc/80/80/94/332808094.db2.gz IEBITCAIDXHTPF-UHFFFAOYSA-N 1 0 306.406 3.814 20 5 DHBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173413234 332829925 /nfs/dbraw/zinc/82/99/25/332829925.db2.gz BPLIRVSYJAZFHL-GUYCJALGSA-N 1 0 300.358 3.633 20 5 DHBDRO Cc1cccc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000570935902 332844907 /nfs/dbraw/zinc/84/49/07/332844907.db2.gz LRLBECQFTHNSJH-OAGGEKHMSA-N 1 0 317.433 3.745 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C(C2CC2)C2CC2)cc(C(F)(F)F)c1 ZINC000583925011 331472085 /nfs/dbraw/zinc/47/20/85/331472085.db2.gz XVSKPKUFHGNKPK-UHFFFAOYSA-N 1 0 314.307 3.892 20 5 DHBDRO COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000537952493 331607458 /nfs/dbraw/zinc/60/74/58/331607458.db2.gz HZJWNZJSLRQMPE-KDOFPFPSSA-N 1 0 314.385 3.942 20 5 DHBDRO CC[C@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000557690768 331808696 /nfs/dbraw/zinc/80/86/96/331808696.db2.gz ASSJAXQEYXSSFC-NHYWBVRUSA-N 1 0 321.352 3.868 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCc2c1cccc2O ZINC000557781658 331815865 /nfs/dbraw/zinc/81/58/65/331815865.db2.gz DPUHZWBWGPHMQI-LEXSJLIMSA-N 1 0 310.353 3.591 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCSC3)o2)cc1 ZINC000557833958 331819783 /nfs/dbraw/zinc/81/97/83/331819783.db2.gz WHONVRDJVVWJRU-ZDUSSCGKSA-N 1 0 318.398 3.840 20 5 DHBDRO CCC[C@H]([NH2+]CC1(CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090535218 331911595 /nfs/dbraw/zinc/91/15/95/331911595.db2.gz KHVGFMIHEDXJOW-INIZCTEOSA-N 1 0 306.406 3.842 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3CF)o2)cc1 ZINC000569484409 332101346 /nfs/dbraw/zinc/10/13/46/332101346.db2.gz GWQSKHTUGJTYRW-CQSZACIVSA-N 1 0 304.321 3.789 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000520948038 332114943 /nfs/dbraw/zinc/11/49/43/332114943.db2.gz OCNZSDBYJUMUAG-VXGBXAGGSA-N 1 0 316.357 3.609 20 5 DHBDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000559842190 332284555 /nfs/dbraw/zinc/28/45/55/332284555.db2.gz RHJZSIRKVDSYNU-GXTWGEPZSA-N 1 0 316.405 3.920 20 5 DHBDRO COc1ccc(C[N@@H+]2CCC=C(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000560168767 332316564 /nfs/dbraw/zinc/31/65/64/332316564.db2.gz TXCHHWHHUWCHIU-UHFFFAOYSA-N 1 0 324.380 3.893 20 5 DHBDRO C[NH+](C)CCCCC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000560797585 332387175 /nfs/dbraw/zinc/38/71/75/332387175.db2.gz MFABLLUOOOVMFU-UHFFFAOYSA-N 1 0 321.421 3.563 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCc1nccs1 ZINC000560897913 332392466 /nfs/dbraw/zinc/39/24/66/332392466.db2.gz LIFIYKWTVNKONS-LBPRGKRZSA-N 1 0 305.403 3.643 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000562212115 332559261 /nfs/dbraw/zinc/55/92/61/332559261.db2.gz RHPPBFXAGMKCMZ-MRXNPFEDSA-N 1 0 308.422 3.605 20 5 DHBDRO CC(C)C1CC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000562893484 332637320 /nfs/dbraw/zinc/63/73/20/332637320.db2.gz FKMZTEPBPOVDIP-UHFFFAOYSA-N 1 0 301.390 3.643 20 5 DHBDRO Cc1cc(NCC(C)(C)C[C@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302212707 332984057 /nfs/dbraw/zinc/98/40/57/332984057.db2.gz YZXXMRXXDOPVRO-LBPRGKRZSA-N 1 0 317.389 3.660 20 5 DHBDRO CCC[C@H]([NH2+]CC1(CO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178875815 333021806 /nfs/dbraw/zinc/02/18/06/333021806.db2.gz GTDBWOQRFLDYDI-INIZCTEOSA-N 1 0 306.406 3.578 20 5 DHBDRO CC[C@H]([NH2+]CCc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000181562396 333030863 /nfs/dbraw/zinc/03/08/63/333030863.db2.gz VVXOJTOCXVVZGA-AWEZNQCLSA-N 1 0 305.403 3.643 20 5 DHBDRO Cc1ncsc1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178000795 333134029 /nfs/dbraw/zinc/13/40/29/333134029.db2.gz NRCQIJRPXXPFSH-UHFFFAOYSA-N 1 0 317.414 3.567 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000178719380 333143002 /nfs/dbraw/zinc/14/30/02/333143002.db2.gz QTDLWKBVXLFSRB-SJCJKPOMSA-N 1 0 316.405 3.829 20 5 DHBDRO COc1cc(C[NH2+]C[C@@H](C)C2CCCCC2)c([N+](=O)[O-])cc1O ZINC000518785165 333228126 /nfs/dbraw/zinc/22/81/26/333228126.db2.gz PKPCNRFSALLPQV-GFCCVEGCSA-N 1 0 322.405 3.615 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000019992281 333295003 /nfs/dbraw/zinc/29/50/03/333295003.db2.gz SKBKMCICTBIDRI-LBPRGKRZSA-N 1 0 311.813 3.925 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1ccc(OC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000120649282 333304358 /nfs/dbraw/zinc/30/43/58/333304358.db2.gz RTEOIVSULRGVBD-MRXNPFEDSA-N 1 0 315.373 3.629 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc1 ZINC000319723585 333400428 /nfs/dbraw/zinc/40/04/28/333400428.db2.gz PBYZFZWVVMVAOK-MRXNPFEDSA-N 1 0 304.390 3.566 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000320776166 335139576 /nfs/dbraw/zinc/13/95/76/335139576.db2.gz IIOMEPULFMMSRU-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@H]([NH2+][C@H]1C[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000411448709 333671467 /nfs/dbraw/zinc/67/14/67/333671467.db2.gz FJJQYJWZOKZOBE-GOPGUHFVSA-N 1 0 300.333 3.941 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[C@H](C)O1 ZINC000414265110 333929867 /nfs/dbraw/zinc/92/98/67/333929867.db2.gz QSSBHNCURWOIAS-ZHRONYKTSA-N 1 0 318.417 3.720 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnn1-c1ccccc1 ZINC000343491224 335169076 /nfs/dbraw/zinc/16/90/76/335169076.db2.gz OQQCMOYSHRZFAU-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO C[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414529024 334008035 /nfs/dbraw/zinc/00/80/35/334008035.db2.gz PCBOGSVXOABZCA-VLWUPBBWSA-N 1 0 302.296 3.786 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000414554956 334016386 /nfs/dbraw/zinc/01/63/86/334016386.db2.gz HRFITOCJPCZLLU-UHFFFAOYSA-N 1 0 319.792 3.711 20 5 DHBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414615996 334042133 /nfs/dbraw/zinc/04/21/33/334042133.db2.gz HKDUMGPGARODRC-RBJHHQRMSA-N 1 0 316.361 3.584 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000275634348 334072517 /nfs/dbraw/zinc/07/25/17/334072517.db2.gz QVSVMALKWYHNGZ-STQMWFEESA-N 1 0 316.323 3.848 20 5 DHBDRO CC(C)c1ccc([C@@H]([NH3+])CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000414853828 334127603 /nfs/dbraw/zinc/12/76/03/334127603.db2.gz YGLFYXLNCNMQIU-KRWDZBQOSA-N 1 0 313.401 3.508 20 5 DHBDRO Cn1c2ccccc2nc1N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000534971660 334351041 /nfs/dbraw/zinc/35/10/41/334351041.db2.gz GAVWUJCBYXMOPT-UHFFFAOYSA-N 1 0 322.368 3.651 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340874728 334392300 /nfs/dbraw/zinc/39/23/00/334392300.db2.gz JBMMLUXPDQXECC-CQSZACIVSA-N 1 0 301.346 3.624 20 5 DHBDRO CC/C=C\CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000342240233 334519817 /nfs/dbraw/zinc/51/98/17/334519817.db2.gz XHDSWMYMBFKFEG-ARJAWSKDSA-N 1 0 304.390 3.794 20 5 DHBDRO CC(=O)c1cc(NCCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000342789209 334571432 /nfs/dbraw/zinc/57/14/32/334571432.db2.gz PAFQYAGCOUTTMO-UHFFFAOYSA-N 1 0 321.421 3.718 20 5 DHBDRO COCCCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417344094 334706071 /nfs/dbraw/zinc/70/60/71/334706071.db2.gz RNMMXMVFIBBYJT-QGZVFWFLSA-N 1 0 306.406 3.769 20 5 DHBDRO CCc1nc(C)c([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000344069125 335214753 /nfs/dbraw/zinc/21/47/53/335214753.db2.gz UBZHAXHJOYJJJY-NSHDSACASA-N 1 0 319.430 3.815 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000344339228 335242350 /nfs/dbraw/zinc/24/23/50/335242350.db2.gz WGTZJKLPPSBTQU-DAXOMENPSA-N 1 0 304.390 3.593 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCCCO1 ZINC000344787023 335277278 /nfs/dbraw/zinc/27/72/78/335277278.db2.gz CJFZAVCHEZRIAU-VWILAXROSA-N 1 0 304.390 3.547 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000158085864 338476415 /nfs/dbraw/zinc/47/64/15/338476415.db2.gz VCOLJCDWVWFFFJ-HZPDHXFCSA-N 1 0 308.422 3.823 20 5 DHBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000345690025 335342057 /nfs/dbraw/zinc/34/20/57/335342057.db2.gz GJGJPJMWSYFEQB-BONVTDFDSA-N 1 0 324.377 3.661 20 5 DHBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688880 338482985 /nfs/dbraw/zinc/48/29/85/338482985.db2.gz LGGLHFLHMDYNOO-YPMHNXCESA-N 1 0 316.405 3.776 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000350046021 335721372 /nfs/dbraw/zinc/72/13/72/335721372.db2.gz BUQIZUUUUVBPQV-INIZCTEOSA-N 1 0 316.405 3.514 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CS1 ZINC000331645787 336143366 /nfs/dbraw/zinc/14/33/66/336143366.db2.gz UMZIWPNQKCRHAV-UEKVPHQBSA-N 1 0 306.431 3.801 20 5 DHBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332210072 336162807 /nfs/dbraw/zinc/16/28/07/336162807.db2.gz VMIOCNYWMFDBAP-YPMHNXCESA-N 1 0 302.378 3.530 20 5 DHBDRO C[C@@H]1CCC[C@H](CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000332339424 336169180 /nfs/dbraw/zinc/16/91/80/336169180.db2.gz VIGGPVVQTZUSGH-HUUCEWRRSA-N 1 0 320.437 3.645 20 5 DHBDRO COc1cc(C[N@H+](Cc2cccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000351970748 336184206 /nfs/dbraw/zinc/18/42/06/336184206.db2.gz INZFSFXWBZSWDJ-UHFFFAOYSA-N 1 0 318.398 3.830 20 5 DHBDRO COc1cc(C[N@H+](C)Cc2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000352406503 336216462 /nfs/dbraw/zinc/21/64/62/336216462.db2.gz QDGNLJQFKWHYDW-UHFFFAOYSA-N 1 0 306.387 3.605 20 5 DHBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000352544572 336223718 /nfs/dbraw/zinc/22/37/18/336223718.db2.gz SCYZTFPCKRVNJG-UHFFFAOYSA-N 1 0 304.415 3.948 20 5 DHBDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352777575 336235849 /nfs/dbraw/zinc/23/58/49/336235849.db2.gz HKIJDFJMDITRNR-HNNXBMFYSA-N 1 0 315.373 3.582 20 5 DHBDRO C[C@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC[C@@H]1O ZINC000192929223 336284681 /nfs/dbraw/zinc/28/46/81/336284681.db2.gz YSYMONNJMLTKGG-FGTMMUONSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000301095963 336289748 /nfs/dbraw/zinc/28/97/48/336289748.db2.gz MWTWBEQIZXFRTH-UHFFFAOYSA-N 1 0 323.824 3.560 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2cccc(F)c2[N+](=O)[O-])c1 ZINC000301221483 336295469 /nfs/dbraw/zinc/29/54/69/336295469.db2.gz CBFKFJASDMMWEF-UHFFFAOYSA-N 1 0 317.364 3.798 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000301272224 336297929 /nfs/dbraw/zinc/29/79/29/336297929.db2.gz JWVWAIZEXMFETB-CVEARBPZSA-N 1 0 317.433 3.686 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000301272226 336298045 /nfs/dbraw/zinc/29/80/45/336298045.db2.gz JWVWAIZEXMFETB-HZPDHXFCSA-N 1 0 317.433 3.686 20 5 DHBDRO Cc1cc(NC2CC[NH+](C(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301437042 336306712 /nfs/dbraw/zinc/30/67/12/336306712.db2.gz KJDQQNMUKLGMNM-UHFFFAOYSA-N 1 0 311.813 3.841 20 5 DHBDRO Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000301439780 336306976 /nfs/dbraw/zinc/30/69/76/336306976.db2.gz LWCXOLSNIRBXCI-CQSZACIVSA-N 1 0 323.780 3.864 20 5 DHBDRO C[N@@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000301823996 336332551 /nfs/dbraw/zinc/33/25/51/336332551.db2.gz CWJXOKGXMVIJPK-DOTOQJQBSA-N 1 0 315.348 3.591 20 5 DHBDRO Cc1ccc([C@H](CNc2sccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000301999438 336342367 /nfs/dbraw/zinc/34/23/67/336342367.db2.gz RCSFVMIERIMMND-ZDUSSCGKSA-N 1 0 321.402 3.807 20 5 DHBDRO O=[N+]([O-])c1ccsc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000302010515 336342924 /nfs/dbraw/zinc/34/29/24/336342924.db2.gz YHUAYPYZJJICMD-LBPRGKRZSA-N 1 0 323.443 3.967 20 5 DHBDRO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302049793 336345516 /nfs/dbraw/zinc/34/55/16/336345516.db2.gz NFFKEHMOOAXYHN-UONOGXRCSA-N 1 0 303.406 3.660 20 5 DHBDRO Cc1cccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000302513504 336360471 /nfs/dbraw/zinc/36/04/71/336360471.db2.gz UHYHMQGWNQGQCA-OAHLLOKOSA-N 1 0 315.373 3.745 20 5 DHBDRO C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000320902659 336384314 /nfs/dbraw/zinc/38/43/14/336384314.db2.gz ZWJUVKCGXBSNIP-VKJFTORMSA-N 1 0 319.449 3.756 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CC[C@H]3C3CCC3)c2c1 ZINC000571678995 336392304 /nfs/dbraw/zinc/39/23/04/336392304.db2.gz FCGLLKRCHUGUCE-RDJZCZTQSA-N 1 0 313.401 3.787 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(OC2CCC2)CC1 ZINC000418096170 336399083 /nfs/dbraw/zinc/39/90/83/336399083.db2.gz UXCFCFWFBBETPN-XQRVVYSFSA-N 1 0 316.401 3.642 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000354715573 336479640 /nfs/dbraw/zinc/47/96/40/336479640.db2.gz WZSYIRMPSIAPOT-QWHCGFSZSA-N 1 0 316.357 3.512 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000359083188 336656908 /nfs/dbraw/zinc/65/69/08/336656908.db2.gz OZMPHKOKPZSLOL-NVXWUHKLSA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000361886931 336776833 /nfs/dbraw/zinc/77/68/33/336776833.db2.gz BAALADOJAMJIBP-PBHICJAKSA-N 1 0 314.385 3.678 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000370681959 336891070 /nfs/dbraw/zinc/89/10/70/336891070.db2.gz LLYHPBKDPJWGCC-LBRJOISOSA-N 1 0 318.417 3.757 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCCO[C@H]21 ZINC000374161747 336982704 /nfs/dbraw/zinc/98/27/04/336982704.db2.gz RAJAVWGXNBPQOX-NILFDRSVSA-N 1 0 324.808 3.541 20 5 DHBDRO Cc1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000378045108 337065580 /nfs/dbraw/zinc/06/55/80/337065580.db2.gz MYHZKNAUOPEOEO-UHFFFAOYSA-N 1 0 318.417 3.732 20 5 DHBDRO CSC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193817802 337080366 /nfs/dbraw/zinc/08/03/66/337080366.db2.gz DBCPPWPZZRJPMK-HIFRSBDPSA-N 1 0 320.458 3.791 20 5 DHBDRO Cc1cccc2c1OC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000514665705 337143863 /nfs/dbraw/zinc/14/38/63/337143863.db2.gz KXZGPXIYKLUSIK-OOYWPUHTSA-N 1 0 324.380 3.510 20 5 DHBDRO CC[C@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181715771 337183868 /nfs/dbraw/zinc/18/38/68/337183868.db2.gz BYPXHOSHKWDXEY-JKSUJKDBSA-N 1 0 308.422 3.679 20 5 DHBDRO COc1cc(C[N@H+]([C@@H](C)C2CC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184245583 337197519 /nfs/dbraw/zinc/19/75/19/337197519.db2.gz VWGWTGLRDYINOI-JTQLQIEISA-N 1 0 308.353 3.505 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C2CCOCC2)CC1 ZINC000583003683 337227689 /nfs/dbraw/zinc/22/76/89/337227689.db2.gz XBSDKHPOTGPZHR-CQSZACIVSA-N 1 0 318.417 3.794 20 5 DHBDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000186441590 337256153 /nfs/dbraw/zinc/25/61/53/337256153.db2.gz SXNHLVXJRACCTN-IBGZPJMESA-N 1 0 324.380 3.535 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(NCCC[N@H+](C)C2CCCCC2)c1 ZINC000321704468 337284620 /nfs/dbraw/zinc/28/46/20/337284620.db2.gz DTJIMBYKDGSYAI-UHFFFAOYSA-N 1 0 321.421 3.670 20 5 DHBDRO C[C@H](C[NH+](C)C)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000584621210 337374814 /nfs/dbraw/zinc/37/48/14/337374814.db2.gz QYWHKEXYAGTIGF-CYBMUJFWSA-N 1 0 300.358 3.591 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000536808279 337394797 /nfs/dbraw/zinc/39/47/97/337394797.db2.gz WKHNZVKBAMGGAW-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000246421062 337547142 /nfs/dbraw/zinc/54/71/42/337547142.db2.gz NGEPIQKEUUBBSP-OGHNNQOOSA-N 1 0 312.369 3.810 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000252801577 337592997 /nfs/dbraw/zinc/59/29/97/337592997.db2.gz COTVZUOYTMSRSV-DXEWXGHRSA-N 1 0 316.401 3.593 20 5 DHBDRO C[C@H](NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423279557 337709190 /nfs/dbraw/zinc/70/91/90/337709190.db2.gz RMAFDQAWEIWAKK-AWEZNQCLSA-N 1 0 305.422 3.558 20 5 DHBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536860768 337746690 /nfs/dbraw/zinc/74/66/90/337746690.db2.gz AWSSKATYKWGODC-GUYCJALGSA-N 1 0 312.369 3.996 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424314218 337819623 /nfs/dbraw/zinc/81/96/23/337819623.db2.gz CAKSEBLNDYYAIK-FSPWUOQZSA-N 1 0 314.360 3.753 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000107039780 337825516 /nfs/dbraw/zinc/82/55/16/337825516.db2.gz JEUSACQUONUDDE-CYBMUJFWSA-N 1 0 309.410 3.526 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccccc2)cc1[N+](=O)[O-] ZINC000120145375 337870870 /nfs/dbraw/zinc/87/08/70/337870870.db2.gz CXEJKZHASPCXPZ-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000537292021 337928485 /nfs/dbraw/zinc/92/84/85/337928485.db2.gz UFDPMUDUJUHFCQ-GOSISDBHSA-N 1 0 312.369 3.715 20 5 DHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000515550907 337992587 /nfs/dbraw/zinc/99/25/87/337992587.db2.gz WMZMCVFHXFDCTP-HUUCEWRRSA-N 1 0 305.422 3.765 20 5 DHBDRO COCC(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000426345289 338028184 /nfs/dbraw/zinc/02/81/84/338028184.db2.gz WXBKWZSAZVFIJJ-OAHLLOKOSA-N 1 0 306.406 3.579 20 5 DHBDRO Cc1ccc(CN2Cc3ccccc3O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430135953 338098499 /nfs/dbraw/zinc/09/84/99/338098499.db2.gz HNCRETZVEAVDBH-AWEZNQCLSA-N 1 0 312.369 3.686 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1cccc(C)c1 ZINC000430220971 338101908 /nfs/dbraw/zinc/10/19/08/338101908.db2.gz REVBTVISSMYHDC-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000430234828 338102498 /nfs/dbraw/zinc/10/24/98/338102498.db2.gz WXYKUICNAJMZQM-UHFFFAOYSA-N 1 0 312.369 3.772 20 5 DHBDRO C[C@@H](Nc1ccnc2c1cccc2[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000432340177 338153502 /nfs/dbraw/zinc/15/35/02/338153502.db2.gz LQRSXWDTUKDGAM-GFCCVEGCSA-N 1 0 316.405 3.531 20 5 DHBDRO CC[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000433058108 338179165 /nfs/dbraw/zinc/17/91/65/338179165.db2.gz OTOJVCCUHDRSEN-INIZCTEOSA-N 1 0 318.417 3.578 20 5 DHBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433117410 338182251 /nfs/dbraw/zinc/18/22/51/338182251.db2.gz NJJKLHIPCCZPBG-IWEFOYFVSA-N 1 0 320.433 3.704 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCCOCC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433169132 338183904 /nfs/dbraw/zinc/18/39/04/338183904.db2.gz VOPDRXVOWHXZRL-KRWDZBQOSA-N 1 0 318.417 3.724 20 5 DHBDRO COCCC(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433230197 338186750 /nfs/dbraw/zinc/18/67/50/338186750.db2.gz UDZSHFNLQWYMJL-MRXNPFEDSA-N 1 0 320.433 3.970 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000433235959 338187197 /nfs/dbraw/zinc/18/71/97/338187197.db2.gz PCURGGFSYMIFNN-AHIWAGSCSA-N 1 0 318.417 3.722 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000433291686 338189494 /nfs/dbraw/zinc/18/94/94/338189494.db2.gz VCWYTBJIDAVQFY-CVEARBPZSA-N 1 0 306.406 3.578 20 5 DHBDRO CC1(C)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000435053719 338231166 /nfs/dbraw/zinc/23/11/66/338231166.db2.gz VFSGFESRTOTFLT-FNORWQNLSA-N 1 0 306.431 3.826 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCCOc2ccccc2)cc1 ZINC000438199115 338336341 /nfs/dbraw/zinc/33/63/41/338336341.db2.gz GOXRQGRWUDUVBV-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO CC1(C)CCC[C@@](O)(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000438371343 338341779 /nfs/dbraw/zinc/34/17/79/338341779.db2.gz AQEWXXYDPPZICM-MTIYJEKLSA-N 1 0 318.417 3.529 20 5 DHBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000442808680 338432926 /nfs/dbraw/zinc/43/29/26/338432926.db2.gz HSDOMRKJHWFVQR-YESZJQIVSA-N 1 0 304.390 3.519 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cccc1[N+](=O)[O-] ZINC000442848276 338434445 /nfs/dbraw/zinc/43/44/45/338434445.db2.gz AIGOAMGBHIQXRP-AWEZNQCLSA-N 1 0 321.380 3.642 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000194414848 338526693 /nfs/dbraw/zinc/52/66/93/338526693.db2.gz QFZZAQCXEKAODQ-INIZCTEOSA-N 1 0 314.410 3.964 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(F)cc1)CCC2 ZINC000447516545 338553598 /nfs/dbraw/zinc/55/35/98/338553598.db2.gz PDDJASIQOQRYSF-SFHVURJKSA-N 1 0 314.360 3.944 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC1CCCCC1)CCC2 ZINC000447530750 338554492 /nfs/dbraw/zinc/55/44/92/338554492.db2.gz PIKKHIOTSCFZJJ-SFHVURJKSA-N 1 0 318.417 3.911 20 5 DHBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000447597790 338561008 /nfs/dbraw/zinc/56/10/08/338561008.db2.gz GWLUDHUJLCWMJY-TVQRCGJNSA-N 1 0 302.296 3.760 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000194568821 338567319 /nfs/dbraw/zinc/56/73/19/338567319.db2.gz NEXVMPUBTITRMJ-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000449130680 338595863 /nfs/dbraw/zinc/59/58/63/338595863.db2.gz HFPPQGYNHZONAN-GFCCVEGCSA-N 1 0 320.339 3.809 20 5 DHBDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449205733 338602292 /nfs/dbraw/zinc/60/22/92/338602292.db2.gz OXKNQIAQMNONFD-KGLIPLIRSA-N 1 0 313.401 3.834 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000449319163 338612347 /nfs/dbraw/zinc/61/23/47/338612347.db2.gz JAUVHIIIHKYEAO-WDEREUQCSA-N 1 0 321.327 3.550 20 5 DHBDRO CC1(F)CC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000449375649 338619078 /nfs/dbraw/zinc/61/90/78/338619078.db2.gz IHPCOLPCGKPAJO-IDSHBHDBSA-N 1 0 306.381 3.786 20 5 DHBDRO CO[C@](C)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000449485401 338629628 /nfs/dbraw/zinc/62/96/28/338629628.db2.gz QEGITIWCQSZBMO-GOSISDBHSA-N 1 0 314.385 3.555 20 5 DHBDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000449616892 338641564 /nfs/dbraw/zinc/64/15/64/338641564.db2.gz SEEFIRAGHOGGFT-WKILWMFISA-N 1 0 312.369 3.639 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000194620175 338647796 /nfs/dbraw/zinc/64/77/96/338647796.db2.gz WLJHIUWCXUGKKC-INIZCTEOSA-N 1 0 312.369 3.771 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000450686216 338699145 /nfs/dbraw/zinc/69/91/45/338699145.db2.gz MSHBWYSZYGXNLV-HOCLYGCPSA-N 1 0 314.385 3.503 20 5 DHBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)O1 ZINC000453624388 338851165 /nfs/dbraw/zinc/85/11/65/338851165.db2.gz CKHHNMZIXGIHQY-IUODEOHRSA-N 1 0 316.357 3.512 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000195548083 338904562 /nfs/dbraw/zinc/90/45/62/338904562.db2.gz BRZKGXFVEHGKNS-SFHVURJKSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1cccc(OCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000195670127 338913815 /nfs/dbraw/zinc/91/38/15/338913815.db2.gz ZLZDMZLMWULRDY-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000459648782 339040428 /nfs/dbraw/zinc/04/04/28/339040428.db2.gz VEXQFNOIMPMXDC-ZDUSSCGKSA-N 1 0 317.364 3.630 20 5 DHBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000459749759 339045974 /nfs/dbraw/zinc/04/59/74/339045974.db2.gz YQSGPFQOAMBUNH-ZBFHGGJFSA-N 1 0 316.357 3.512 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(NCCCCC[NH+]2CCCCC2)c1 ZINC000462836643 339093445 /nfs/dbraw/zinc/09/34/45/339093445.db2.gz FKAZSUKMBBNWKK-UHFFFAOYSA-N 1 0 321.421 3.672 20 5 DHBDRO C=Cc1ccc(CC[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000462915254 339097893 /nfs/dbraw/zinc/09/78/93/339097893.db2.gz TZPASOCBTNZVHC-UHFFFAOYSA-N 1 0 312.369 3.579 20 5 DHBDRO CCC(CC)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000463059429 339103541 /nfs/dbraw/zinc/10/35/41/339103541.db2.gz YBPFVGCTDRNWQZ-MRXNPFEDSA-N 1 0 320.437 3.611 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000463470907 339118943 /nfs/dbraw/zinc/11/89/43/339118943.db2.gz UEMSHJCDWYVCBR-IUODEOHRSA-N 1 0 322.380 3.897 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000464096392 339134383 /nfs/dbraw/zinc/13/43/83/339134383.db2.gz YWPMWDCRBHHLPI-CVEARBPZSA-N 1 0 306.406 3.585 20 5 DHBDRO C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000467834146 339247065 /nfs/dbraw/zinc/24/70/65/339247065.db2.gz PGCJUHZDJJUHQC-RDTXWAMCSA-N 1 0 319.449 3.756 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000467835777 339247214 /nfs/dbraw/zinc/24/72/14/339247214.db2.gz YTVNYBRINDYHRD-CABCVRRESA-N 1 0 313.401 3.770 20 5 DHBDRO C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000467850344 339247606 /nfs/dbraw/zinc/24/76/06/339247606.db2.gz KFIXYRVKYDCDPQ-CHWSQXEVSA-N 1 0 318.348 3.852 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000467975257 339250278 /nfs/dbraw/zinc/25/02/78/339250278.db2.gz OHPLVELNMSYOIY-SFHVURJKSA-N 1 0 310.397 3.748 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000467994948 339250628 /nfs/dbraw/zinc/25/06/28/339250628.db2.gz QKOMCOWNVCRLRF-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCSCC(C)C ZINC000468623549 339267283 /nfs/dbraw/zinc/26/72/83/339267283.db2.gz UCLBFZUOKCQJSF-ZROIWOOFSA-N 1 0 308.447 3.977 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(O)c(F)c1 ZINC000468651321 339268081 /nfs/dbraw/zinc/26/80/81/339268081.db2.gz YEDMZOITDXTRKM-GHXNOFRVSA-N 1 0 316.332 3.633 20 5 DHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000469775198 339298866 /nfs/dbraw/zinc/29/88/66/339298866.db2.gz KKJRYQCTLMJCSB-CJNGLKHVSA-N 1 0 324.446 3.757 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(F)F)CC1 ZINC000470179257 339313124 /nfs/dbraw/zinc/31/31/24/339313124.db2.gz VDXRGLIYNBCEQG-XFXZXTDPSA-N 1 0 310.344 3.975 20 5 DHBDRO CO[C@@H](C)C[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000470179364 339313191 /nfs/dbraw/zinc/31/31/91/339313191.db2.gz WWGZSBIICQKIMR-HNRFISLBSA-N 1 0 306.406 3.743 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCc1ccncc1 ZINC000470204147 339314130 /nfs/dbraw/zinc/31/41/30/339314130.db2.gz UDYRKUAPPSVMNP-NTCAYCPXSA-N 1 0 311.385 3.568 20 5 DHBDRO Cn1cccc1[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000472315451 339369669 /nfs/dbraw/zinc/36/96/69/339369669.db2.gz NQKIDCJJOQRWMJ-GOSISDBHSA-N 1 0 313.401 3.703 20 5 DHBDRO CCOC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000474013812 339397147 /nfs/dbraw/zinc/39/71/47/339397147.db2.gz BBCMYNGCOGGLML-MRXNPFEDSA-N 1 0 308.422 3.869 20 5 DHBDRO CCc1cccc(F)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000474727179 339424273 /nfs/dbraw/zinc/42/42/73/339424273.db2.gz ABDSHOUTXXMVES-UHFFFAOYSA-N 1 0 302.349 3.629 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc2ncccc2c1 ZINC000475328160 339446567 /nfs/dbraw/zinc/44/65/67/339446567.db2.gz BDTMLZQIAYYJET-UTCJRWHESA-N 1 0 319.364 3.946 20 5 DHBDRO COC1CCC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000484289598 339683855 /nfs/dbraw/zinc/68/38/55/339683855.db2.gz GHINGIRFGGTIQC-NFOMZHRRSA-N 1 0 306.406 3.759 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCSC2)c2ccccc2)c1 ZINC000494036208 339939509 /nfs/dbraw/zinc/93/95/09/339939509.db2.gz BPQMZMVPAKYBCO-RDJZCZTQSA-N 1 0 314.410 3.779 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccco1 ZINC000504927648 340156459 /nfs/dbraw/zinc/15/64/59/340156459.db2.gz RZVGCAYCUDTAKX-LBPRGKRZSA-N 1 0 306.387 3.848 20 5 DHBDRO CCC[NH+](CCC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505331057 340166347 /nfs/dbraw/zinc/16/63/47/340166347.db2.gz OBQWYFHJQXQELQ-UHFFFAOYSA-N 1 0 302.321 3.818 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000507208010 340213472 /nfs/dbraw/zinc/21/34/72/340213472.db2.gz FNNYEGCACLXFNG-NWDGAFQWSA-N 1 0 310.357 3.883 20 5 DHBDRO CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000507767091 340230692 /nfs/dbraw/zinc/23/06/92/340230692.db2.gz ACQRGBHBTDWHKN-UXBLZVDNSA-N 1 0 308.381 3.755 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000507831447 340233589 /nfs/dbraw/zinc/23/35/89/340233589.db2.gz RDOPDLDIIFAMLX-GFCCVEGCSA-N 1 0 320.776 3.978 20 5 DHBDRO CC[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000402608893 340246561 /nfs/dbraw/zinc/24/65/61/340246561.db2.gz QPKJGIRXXMCVBX-LLVKDONJSA-N 1 0 304.312 3.971 20 5 DHBDRO C[C@@H](CCc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000509913326 340282687 /nfs/dbraw/zinc/28/26/87/340282687.db2.gz PBGBMHHYBZQGOU-ZDUSSCGKSA-N 1 0 324.384 3.582 20 5 DHBDRO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000509946327 340283521 /nfs/dbraw/zinc/28/35/21/340283521.db2.gz WPUZCOTWYKRVNR-CQSZACIVSA-N 1 0 314.813 3.789 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510735911 340308783 /nfs/dbraw/zinc/30/87/83/340308783.db2.gz MIVUIFGYQGHXCC-WFASDCNBSA-N 1 0 310.369 3.611 20 5 DHBDRO CCC[C@H]([NH2+][C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000511039100 340319007 /nfs/dbraw/zinc/31/90/07/340319007.db2.gz ZBLVYBJYJSVPAT-WMZOPIPTSA-N 1 0 320.433 3.967 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCCOC(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000511037736 340319074 /nfs/dbraw/zinc/31/90/74/340319074.db2.gz ZSTUKHBSSUEQIL-CYBMUJFWSA-N 1 0 314.332 3.536 20 5 DHBDRO Cc1ccc(F)cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511141425 340322200 /nfs/dbraw/zinc/32/22/00/340322200.db2.gz LXWAEBPJUPPOLW-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO CC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000511522692 340329234 /nfs/dbraw/zinc/32/92/34/340329234.db2.gz MVEQOHRLHITXNF-NSHDSACASA-N 1 0 300.305 3.571 20 5 DHBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000511646393 340333844 /nfs/dbraw/zinc/33/38/44/340333844.db2.gz GRIYSBZKWASEAV-UXBLZVDNSA-N 1 0 308.381 3.707 20 5 DHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000511724285 340336249 /nfs/dbraw/zinc/33/62/49/340336249.db2.gz VDOYGVMHOUQJNL-FRRDWIJNSA-N 1 0 309.385 3.512 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)cc1 ZINC000512113364 340348937 /nfs/dbraw/zinc/34/89/37/340348937.db2.gz IKZXZESGXOMLFV-OWOJBTEDSA-N 1 0 304.296 3.676 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C(F)(F)F)CC1 ZINC000512914307 340383784 /nfs/dbraw/zinc/38/37/84/340383784.db2.gz YVBDQHXXINXNOS-YRNVUSSQSA-N 1 0 314.307 3.930 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178654624 340451299 /nfs/dbraw/zinc/45/12/99/340451299.db2.gz NCSXSAIMBJXZEE-HIFRSBDPSA-N 1 0 312.369 3.812 20 5 DHBDRO CC(C)CCn1cccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000523391377 340622952 /nfs/dbraw/zinc/62/29/52/340622952.db2.gz REXCGTFQHLYYBL-UHFFFAOYSA-N 1 0 315.417 3.775 20 5 DHBDRO Cc1cc(F)ccc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000237546605 340671968 /nfs/dbraw/zinc/67/19/68/340671968.db2.gz FXYUDMUSQDGUDM-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C/c2ccc(F)cc2)cc1 ZINC000127681428 340854957 /nfs/dbraw/zinc/85/49/57/340854957.db2.gz NLUNNGDSHVYBOG-OWOJBTEDSA-N 1 0 300.333 3.579 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCSCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000539061479 340869389 /nfs/dbraw/zinc/86/93/89/340869389.db2.gz VSBRKGOVOXRZTD-SNVBAGLBSA-N 1 0 322.352 3.849 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1(C2CC2)CC1 ZINC000539655363 340894632 /nfs/dbraw/zinc/89/46/32/340894632.db2.gz RLIFMUQWEZKSRB-CZUORRHYSA-N 1 0 300.402 3.838 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000540171059 340920238 /nfs/dbraw/zinc/92/02/38/340920238.db2.gz MFFOEYCQFLTBMF-CQSZACIVSA-N 1 0 310.397 3.969 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccon1 ZINC000542699567 341017851 /nfs/dbraw/zinc/01/78/51/341017851.db2.gz JLXZOCTVDYOTMM-VXGBXAGGSA-N 1 0 321.402 3.804 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000542703706 341018232 /nfs/dbraw/zinc/01/82/32/341018232.db2.gz YUGZLHUVVOUFQX-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000544432615 341081884 /nfs/dbraw/zinc/08/18/84/341081884.db2.gz KNORAMUQEWZKRE-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000544611467 341088771 /nfs/dbraw/zinc/08/87/71/341088771.db2.gz RRHOLYSYUHQLAT-SFHVURJKSA-N 1 0 313.401 3.969 20 5 DHBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000075896736 341188392 /nfs/dbraw/zinc/18/83/92/341188392.db2.gz XNNWENGZPZBZKI-GFCCVEGCSA-N 1 0 320.414 3.728 20 5 DHBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1ccsc1Cl ZINC000564312797 341190717 /nfs/dbraw/zinc/19/07/17/341190717.db2.gz QDMHJLABRWBLEW-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000080242968 341271443 /nfs/dbraw/zinc/27/14/43/341271443.db2.gz RNBSRBWPAVTUDD-GFCCVEGCSA-N 1 0 304.415 3.994 20 5 DHBDRO CC1(C)SC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000549233414 341289233 /nfs/dbraw/zinc/28/92/33/341289233.db2.gz WVRQHIQRXUFXEZ-UONOGXRCSA-N 1 0 306.431 3.801 20 5 DHBDRO C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000549612349 341298953 /nfs/dbraw/zinc/29/89/53/341298953.db2.gz YOHFDOVKVBXENI-MCIONIFRSA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000549612351 341299027 /nfs/dbraw/zinc/29/90/27/341299027.db2.gz YOHFDOVKVBXENI-XGUBFFRZSA-N 1 0 306.406 3.839 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]1F ZINC000550931209 341327100 /nfs/dbraw/zinc/32/71/00/341327100.db2.gz BEJWFFNRCDTDPN-XQQFMLRXSA-N 1 0 312.410 3.946 20 5 DHBDRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000551228637 341334569 /nfs/dbraw/zinc/33/45/69/341334569.db2.gz KIWMYXBXCPTJTI-UONOGXRCSA-N 1 0 322.453 3.937 20 5 DHBDRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000551228638 341334616 /nfs/dbraw/zinc/33/46/16/341334616.db2.gz KIWMYXBXCPTJTI-ZIAGYGMSSA-N 1 0 322.453 3.937 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)F ZINC000551264428 341335882 /nfs/dbraw/zinc/33/58/82/341335882.db2.gz KOOIUGUQNBMJPM-VXGBXAGGSA-N 1 0 300.399 3.803 20 5 DHBDRO CC(C)C[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000552281455 341383820 /nfs/dbraw/zinc/38/38/20/341383820.db2.gz WHFVAKNGICQOQO-CQSZACIVSA-N 1 0 306.406 3.873 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000090857969 341419685 /nfs/dbraw/zinc/41/96/85/341419685.db2.gz RFZGHDNCEVCVRH-NOLJZWGESA-N 1 0 322.405 3.602 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccc(F)cc1Cl ZINC000553771906 341435761 /nfs/dbraw/zinc/43/57/61/341435761.db2.gz RESCVYPCSZSORU-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000554375115 341452343 /nfs/dbraw/zinc/45/23/43/341452343.db2.gz HZSPGJUAOSXBDM-JHJVBQTASA-N 1 0 312.410 3.946 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1ccccc1C ZINC000555612411 341486987 /nfs/dbraw/zinc/48/69/87/341486987.db2.gz MFVMBWYTFADUHK-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000572977820 341712037 /nfs/dbraw/zinc/71/20/37/341712037.db2.gz LHGYJRHJIRQCKG-ZIAGYGMSSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1ccccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573162041 341719297 /nfs/dbraw/zinc/71/92/97/341719297.db2.gz SGPOGKSGQNUCQH-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000573550936 341731590 /nfs/dbraw/zinc/73/15/90/341731590.db2.gz JNZGRLPJQSCEQS-VMGRFDJRSA-N 1 0 304.390 3.519 20 5 DHBDRO CS[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000575195645 341784948 /nfs/dbraw/zinc/78/49/48/341784948.db2.gz PSPMCDTUIGJUOM-ZOWXZIJZSA-N 1 0 306.431 3.846 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2COc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000178110410 341945744 /nfs/dbraw/zinc/94/57/44/341945744.db2.gz AQPYZQFYUHJVEX-DZGCQCFKSA-N 1 0 312.369 3.558 20 5 DHBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000270701517 518981628 /nfs/dbraw/zinc/98/16/28/518981628.db2.gz YHAWKWJLLDVYGQ-FJVHFBRSSA-N 1 0 318.417 3.791 20 5 DHBDRO CC(C)COC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266526818 519752121 /nfs/dbraw/zinc/75/21/21/519752121.db2.gz KKWHMGDBLURMOI-AWEZNQCLSA-N 1 0 306.406 3.793 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000158229119 521161961 /nfs/dbraw/zinc/16/19/61/521161961.db2.gz ACCCDLSBCIFXPU-PVAVHDDUSA-N 1 0 306.406 3.577 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000271200873 521259180 /nfs/dbraw/zinc/25/91/80/521259180.db2.gz ZGKYAWMDRYEQHA-JTQLQIEISA-N 1 0 320.311 3.987 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000119294734 521260675 /nfs/dbraw/zinc/26/06/75/521260675.db2.gz AADZCOIPIGFIOB-GXTWGEPZSA-N 1 0 322.405 3.602 20 5 DHBDRO COc1cc(C)ccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124556467 522260298 /nfs/dbraw/zinc/26/02/98/522260298.db2.gz OHDMRTMVUOQAMX-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000156877496 522357316 /nfs/dbraw/zinc/35/73/16/522357316.db2.gz BJYAEJBTQMADEJ-LBPRGKRZSA-N 1 0 316.357 3.502 20 5 DHBDRO COc1cc(C[NH2+]C2CC(C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000339463329 522442427 /nfs/dbraw/zinc/44/24/27/522442427.db2.gz BZMRNEYIEBEIEC-UHFFFAOYSA-N 1 0 322.405 3.526 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](CCO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154673380 522626229 /nfs/dbraw/zinc/62/62/29/522626229.db2.gz RVYVTUPJMXRVJM-PBHICJAKSA-N 1 0 308.422 3.680 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](CCO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154673497 522861939 /nfs/dbraw/zinc/86/19/39/522861939.db2.gz RVYVTUPJMXRVJM-RHSMWYFYSA-N 1 0 308.422 3.680 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000125015554 522948601 /nfs/dbraw/zinc/94/86/01/522948601.db2.gz GZZPLESZUMRUDL-WCXIOVBPSA-N 1 0 304.390 3.593 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]C3CCC3)o2)c([N+](=O)[O-])c1 ZINC000337352223 523131324 /nfs/dbraw/zinc/13/13/24/523131324.db2.gz YBONFIRFOJNFQU-UHFFFAOYSA-N 1 0 302.330 3.506 20 5 DHBDRO CO[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000191144959 523885359 /nfs/dbraw/zinc/88/53/59/523885359.db2.gz OLZCJUSKINWYIT-SNVBAGLBSA-N 1 0 324.764 3.633 20 5 DHBDRO C[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000157670176 524095398 /nfs/dbraw/zinc/09/53/98/524095398.db2.gz LEQLUQXXQOWVRF-LBPRGKRZSA-N 1 0 317.414 3.950 20 5 DHBDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc(C)c1O ZINC000266906335 524767113 /nfs/dbraw/zinc/76/71/13/524767113.db2.gz VEOCFQZXKNHBPH-ZDUSSCGKSA-N 1 0 300.358 3.768 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266887511 524900096 /nfs/dbraw/zinc/90/00/96/524900096.db2.gz QLRIKOZYOIOEFT-STQMWFEESA-N 1 0 300.358 3.582 20 5 DHBDRO C[C@H]1[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000368813217 525003026 /nfs/dbraw/zinc/00/30/26/525003026.db2.gz DKIUEUSRTRNNTD-GFCCVEGCSA-N 1 0 324.808 3.639 20 5 DHBDRO C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000156217405 525347248 /nfs/dbraw/zinc/34/72/48/525347248.db2.gz SSLGNWQOBSCYSO-ZDUSSCGKSA-N 1 0 324.384 3.755 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266776852 525384821 /nfs/dbraw/zinc/38/48/21/525384821.db2.gz BVOHDLAQGYOKNP-LRDDRELGSA-N 1 0 319.430 3.610 20 5 DHBDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000182765570 525466320 /nfs/dbraw/zinc/46/63/20/525466320.db2.gz HRXCAJOXGWQECB-BDJLRTHQSA-N 1 0 320.414 3.657 20 5 DHBDRO Cc1cc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000182765550 525521043 /nfs/dbraw/zinc/52/10/43/525521043.db2.gz HRXCAJOXGWQECB-ZBEGNZNMSA-N 1 0 320.414 3.657 20 5 DHBDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000270751746 525745232 /nfs/dbraw/zinc/74/52/32/525745232.db2.gz YNXBPMQEJCNFBX-LLVKDONJSA-N 1 0 320.414 3.572 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000122760821 525918824 /nfs/dbraw/zinc/91/88/24/525918824.db2.gz NQUKAHBTMNXFMY-LBPRGKRZSA-N 1 0 319.792 3.845 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000266748672 526108406 /nfs/dbraw/zinc/10/84/06/526108406.db2.gz PLASEFGPNBKUJJ-JKSUJKDBSA-N 1 0 317.433 3.606 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(CCOCC3)C2)ccc1Cl ZINC000366389025 527330158 /nfs/dbraw/zinc/33/01/58/527330158.db2.gz MWSIEDHOQSLFIY-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO OC1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCOCC1 ZINC000238157009 527508950 /nfs/dbraw/zinc/50/89/50/527508950.db2.gz WCHAVCBLGTYJMA-UHFFFAOYSA-N 1 0 321.420 3.624 20 5 DHBDRO CC1(C)C[C@H]([NH2+]C2CCSCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279042153 535367525 /nfs/dbraw/zinc/36/75/25/535367525.db2.gz JKMXFHQGGYCGKJ-HNNXBMFYSA-N 1 0 306.431 3.802 20 5 DHBDRO CCS[C@@H]1CCCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000353610002 535704280 /nfs/dbraw/zinc/70/42/80/535704280.db2.gz VKJFIXPGKPLQCK-GFCCVEGCSA-N 1 0 300.449 3.764 20 5 DHBDRO CC[C@H]([NH2+]CC[C@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000273184783 535906594 /nfs/dbraw/zinc/90/65/94/535906594.db2.gz FRJYTJOFJMDXSV-ZQIUZPCESA-N 1 0 306.406 3.841 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336868335 1013056744 /nfs/dbraw/zinc/05/67/44/1013056744.db2.gz WLKLSHXVYOMDOP-DLBZAZTESA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000120802870 1013282129 /nfs/dbraw/zinc/28/21/29/1013282129.db2.gz YFLNSBZCYUOTKV-XEZPLFJOSA-N 1 0 318.373 3.659 20 5 DHBDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000155347702 1013376958 /nfs/dbraw/zinc/37/69/58/1013376958.db2.gz LPLSIVAJCDTIAO-CQSZACIVSA-N 1 0 308.422 3.743 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000341714498 1013513769 /nfs/dbraw/zinc/51/37/69/1013513769.db2.gz TWYLDTKWVZPEDZ-QGZVFWFLSA-N 1 0 314.360 3.944 20 5 DHBDRO Cc1cc(NCCCOCC2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322927437 1013546228 /nfs/dbraw/zinc/54/62/28/1013546228.db2.gz MGVIDNPLQAKDQB-UHFFFAOYSA-N 1 0 315.373 3.680 20 5 DHBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000441460668 1013908461 /nfs/dbraw/zinc/90/84/61/1013908461.db2.gz DRGBQTWIJKALKZ-CKEIUWERSA-N 1 0 304.390 3.627 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000049183681 1014221602 /nfs/dbraw/zinc/22/16/02/1014221602.db2.gz VISRVYFIVBZYEY-LLVKDONJSA-N 1 0 306.387 3.824 20 5 DHBDRO O=[N+]([O-])c1ccccc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000068836727 1014314442 /nfs/dbraw/zinc/31/44/42/1014314442.db2.gz OQEYFPGQLKYKMP-OAHLLOKOSA-N 1 0 317.414 3.905 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933082401 1014539857 /nfs/dbraw/zinc/53/98/57/1014539857.db2.gz NECRDNXVKPCBGH-PBHICJAKSA-N 1 0 318.417 3.794 20 5 DHBDRO Cc1ccc([C@@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000320113492 1014588919 /nfs/dbraw/zinc/58/89/19/1014588919.db2.gz CMGOSGNWCYZIAQ-CRAIPNDOSA-N 1 0 319.449 3.674 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000442831593 1014744491 /nfs/dbraw/zinc/74/44/91/1014744491.db2.gz AZPMCKGOUBQUAG-HUUCEWRRSA-N 1 0 324.808 3.686 20 5 DHBDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000358290492 1014996284 /nfs/dbraw/zinc/99/62/84/1014996284.db2.gz RLCCZGCOIPZRCI-UHFFFAOYSA-N 1 0 322.405 3.540 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358358441 1015025739 /nfs/dbraw/zinc/02/57/39/1015025739.db2.gz YTBKCUNHYRYQBA-GOEBONIOSA-N 1 0 308.422 3.823 20 5 DHBDRO CC[N@H+](CCc1nccs1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000121123234 1015031367 /nfs/dbraw/zinc/03/13/67/1015031367.db2.gz FQRQUJMHAWMPKQ-GFCCVEGCSA-N 1 0 305.403 3.677 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000846847753 1032110859 /nfs/dbraw/zinc/11/08/59/1032110859.db2.gz NXGBLICIZMWUKS-JTQLQIEISA-N 1 0 323.755 3.942 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1OC1CC[NH+](C(C)C)CC1 ZINC001226989759 1015136921 /nfs/dbraw/zinc/13/69/21/1015136921.db2.gz OINCPIKZSAOFEP-UHFFFAOYSA-N 1 0 312.797 3.808 20 5 DHBDRO Cc1cc(NC[C@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000051234150 1015344531 /nfs/dbraw/zinc/34/45/31/1015344531.db2.gz OGZCLCNTHQREJO-CQSZACIVSA-N 1 0 305.403 3.680 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1C ZINC000933485348 1015365739 /nfs/dbraw/zinc/36/57/39/1015365739.db2.gz BWQTUVVKBUMLPM-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](CC)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151692218 1015404356 /nfs/dbraw/zinc/40/43/56/1015404356.db2.gz FIDCHDICGOCJJP-NVXWUHKLSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1[nH]c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2c1C ZINC000065013602 1015417707 /nfs/dbraw/zinc/41/77/07/1015417707.db2.gz OMMWOCFYEMKFDO-UHFFFAOYSA-N 1 0 309.369 3.983 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000610716602 1015737167 /nfs/dbraw/zinc/73/71/67/1015737167.db2.gz FQWQRKIWLKWMSE-CJNGLKHVSA-N 1 0 306.406 3.841 20 5 DHBDRO COc1ccccc1CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000051372034 1015783578 /nfs/dbraw/zinc/78/35/78/1015783578.db2.gz FPQQQMNHRVFZEN-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1Cl ZINC000896865197 1015791916 /nfs/dbraw/zinc/79/19/16/1015791916.db2.gz RRMRDCABGJEURK-DTWKUNHWSA-N 1 0 308.687 3.536 20 5 DHBDRO Cc1csc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000610799142 1015846904 /nfs/dbraw/zinc/84/69/04/1015846904.db2.gz VXQHVLXDMXHRHH-GFCCVEGCSA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000610811089 1015852822 /nfs/dbraw/zinc/85/28/22/1015852822.db2.gz OFAWKWOOLGDVIY-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO COc1ncc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000538275513 1016092219 /nfs/dbraw/zinc/09/22/19/1016092219.db2.gz GFTTTZBPNVVQBC-SNVBAGLBSA-N 1 0 321.764 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@H+](C2CC2)C2CCCCC2)cc1 ZINC000065534163 1016215647 /nfs/dbraw/zinc/21/56/47/1016215647.db2.gz ONUOOISHQYLBDU-UHFFFAOYSA-N 1 0 304.390 3.771 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CC(F)(F)C3)o2)c1 ZINC000277364340 1016244081 /nfs/dbraw/zinc/24/40/81/1016244081.db2.gz BABHPRDFIGNTIE-UHFFFAOYSA-N 1 0 308.284 3.742 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000323711256 1036341414 /nfs/dbraw/zinc/34/14/14/1036341414.db2.gz KQCJZJCLSQYOEF-LBPRGKRZSA-N 1 0 313.195 3.636 20 5 DHBDRO O=[N+]([O-])CC[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001167562206 1016572514 /nfs/dbraw/zinc/57/25/14/1016572514.db2.gz INHFHPBANQJLIJ-UHFFFAOYSA-N 1 0 317.216 3.525 20 5 DHBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CC)c1ccccc1 ZINC000478418539 1016681064 /nfs/dbraw/zinc/68/10/64/1016681064.db2.gz QBIXPLSCNRBOCN-INIZCTEOSA-N 1 0 316.405 3.655 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)c2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000478498338 1016702259 /nfs/dbraw/zinc/70/22/59/1016702259.db2.gz FWSCWVNQDJCITP-AWEZNQCLSA-N 1 0 313.401 3.820 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000523007780 1017033256 /nfs/dbraw/zinc/03/32/56/1017033256.db2.gz XGEJTYGTGSHBIC-MRXNPFEDSA-N 1 0 314.360 3.799 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1Cl ZINC000897081408 1017036239 /nfs/dbraw/zinc/03/62/39/1017036239.db2.gz BHAFOLAQUDEOBB-BBRMVZONSA-N 1 0 324.808 3.543 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000362190312 1032265887 /nfs/dbraw/zinc/26/58/87/1032265887.db2.gz LPHUUJBJZBXHEI-SJKOYZFVSA-N 1 0 322.380 3.755 20 5 DHBDRO CC(C)(C)c1ccc(-n2cc3ccc(C[NH3+])cc3n2)c([N+](=O)[O-])c1 ZINC001171324907 1032374775 /nfs/dbraw/zinc/37/47/75/1032374775.db2.gz NXTWTRUNPBEDQJ-UHFFFAOYSA-N 1 0 324.384 3.690 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000773140316 1032573989 /nfs/dbraw/zinc/57/39/89/1032573989.db2.gz VKBAZWGYRUBIGY-QOWREQOWSA-N 1 0 324.471 3.625 20 5 DHBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000424275516 1011967456 /nfs/dbraw/zinc/96/74/56/1011967456.db2.gz BZILTRDYZUZDFM-AKVJVIMFSA-N 1 0 324.808 3.541 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000479859870 1017101975 /nfs/dbraw/zinc/10/19/75/1017101975.db2.gz MRMXJMCCYINAIB-OAHLLOKOSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000475271328 1017109413 /nfs/dbraw/zinc/10/94/13/1017109413.db2.gz CLUHHHASYFDDPY-GXFFZTMASA-N 1 0 302.296 3.676 20 5 DHBDRO Cc1ccc([C@@H](C)[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000515479750 1012638079 /nfs/dbraw/zinc/63/80/79/1012638079.db2.gz JVQGSUSWVMOJRB-OAHLLOKOSA-N 1 0 314.385 3.975 20 5 DHBDRO CC[N@H+](CCC1CC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000760538018 1032686998 /nfs/dbraw/zinc/68/69/98/1032686998.db2.gz IHSDWKRULXUZFV-UHFFFAOYSA-N 1 0 314.389 3.538 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342819256 1017456015 /nfs/dbraw/zinc/45/60/15/1017456015.db2.gz AMMLVCYWIWLXGP-WMZOPIPTSA-N 1 0 318.417 3.862 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CS1 ZINC000840959325 1017560107 /nfs/dbraw/zinc/56/01/07/1017560107.db2.gz SDZIHUNHBWPZPE-OIBJUYFYSA-N 1 0 321.229 3.885 20 5 DHBDRO C[N@H+](CCCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444591597 1017581186 /nfs/dbraw/zinc/58/11/86/1017581186.db2.gz BSUHSAWCLNQPKT-UHFFFAOYSA-N 1 0 324.384 3.536 20 5 DHBDRO C[C@H](C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444611103 1017592894 /nfs/dbraw/zinc/59/28/94/1017592894.db2.gz PWTLOIJOGJOVKI-CYBMUJFWSA-N 1 0 324.384 3.707 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000444659751 1017610520 /nfs/dbraw/zinc/61/05/20/1017610520.db2.gz DZJNWBHZEZGSAZ-BXUZGUMPSA-N 1 0 310.369 3.753 20 5 DHBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc(F)cc(F)c1 ZINC000444703449 1017641086 /nfs/dbraw/zinc/64/10/86/1017641086.db2.gz KTVHATDDQSTQLV-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000268959798 1017891808 /nfs/dbraw/zinc/89/18/08/1017891808.db2.gz HUUDJSZEBBZYDF-OAHLLOKOSA-N 1 0 304.390 3.566 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000178729183 1017895237 /nfs/dbraw/zinc/89/52/37/1017895237.db2.gz KHTXQLNXDPYVSV-SGTLLEGYSA-N 1 0 312.369 3.627 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]3c3ccccc3)nc2c1 ZINC000342964831 1017907152 /nfs/dbraw/zinc/90/71/52/1017907152.db2.gz ZPYWDUHHMIMUMX-QGZVFWFLSA-N 1 0 322.368 3.808 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)C1CC1 ZINC000121599200 1017959559 /nfs/dbraw/zinc/95/95/59/1017959559.db2.gz GVEMCMUWVQJSNL-HKUYNNGSSA-N 1 0 322.408 3.845 20 5 DHBDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000152159932 1017973633 /nfs/dbraw/zinc/97/36/33/1017973633.db2.gz MAXKWAIUWPNUCT-INIZCTEOSA-N 1 0 320.414 3.574 20 5 DHBDRO COc1cccc(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173393271 1018195112 /nfs/dbraw/zinc/19/51/12/1018195112.db2.gz KGYIFWOWTTUOTC-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO CCO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000446833035 1018264530 /nfs/dbraw/zinc/26/45/30/1018264530.db2.gz FGETWWQHCTVJCF-KRWDZBQOSA-N 1 0 318.348 3.601 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccco1 ZINC000764766599 1018363714 /nfs/dbraw/zinc/36/37/14/1018363714.db2.gz GMVQHVWILQWCQB-KBPBESRZSA-N 1 0 302.374 3.730 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764884229 1018417271 /nfs/dbraw/zinc/41/72/71/1018417271.db2.gz YLYWZQJJVBJQAI-GXTWGEPZSA-N 1 0 316.405 3.721 20 5 DHBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000246502907 1018477180 /nfs/dbraw/zinc/47/71/80/1018477180.db2.gz OIUCBXIDVZYVIM-WBMJQRKESA-N 1 0 318.398 3.618 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000743863771 1018497331 /nfs/dbraw/zinc/49/73/31/1018497331.db2.gz QOYYBZXHCHULLL-UHFFFAOYSA-N 1 0 304.390 3.630 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CCCC3)CC2)c1 ZINC000583526800 1018530994 /nfs/dbraw/zinc/53/09/94/1018530994.db2.gz BPDCRRSYPCTEPA-UHFFFAOYSA-N 1 0 304.390 3.630 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000572977819 1018557353 /nfs/dbraw/zinc/55/73/53/1018557353.db2.gz LHGYJRHJIRQCKG-UONOGXRCSA-N 1 0 304.390 3.737 20 5 DHBDRO CCC[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)OCC ZINC000705349814 1018648427 /nfs/dbraw/zinc/64/84/27/1018648427.db2.gz GVAYZLLCGPHEOV-ZDUSSCGKSA-N 1 0 300.786 3.543 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCSC(F)(F)F ZINC000765239563 1018726063 /nfs/dbraw/zinc/72/60/63/1018726063.db2.gz OMIUOCFYCRSSAY-VIFPVBQESA-N 1 0 308.325 3.807 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC000765422000 1018780920 /nfs/dbraw/zinc/78/09/20/1018780920.db2.gz XHHGKWOZEXSVCW-SNVBAGLBSA-N 1 0 321.764 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000130727317 1019066588 /nfs/dbraw/zinc/06/65/88/1019066588.db2.gz NPFVBTLRYBKNAQ-UHFFFAOYSA-N 1 0 318.398 3.700 20 5 DHBDRO CC(C)CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000750037572 1019287907 /nfs/dbraw/zinc/28/79/07/1019287907.db2.gz OIYFHOGDDCEIJM-SFHVURJKSA-N 1 0 320.433 3.919 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000192734418 1032817074 /nfs/dbraw/zinc/81/70/74/1032817074.db2.gz KMVQEHUFTPGFQI-ROUUACIJSA-N 1 0 314.385 3.759 20 5 DHBDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090519492 1019388181 /nfs/dbraw/zinc/38/81/81/1019388181.db2.gz DYDXRWPAJYBBJR-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO CC(C)c1ccc(C[N@H+](CCO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000611269345 1019427564 /nfs/dbraw/zinc/42/75/64/1019427564.db2.gz FBXCNZKVUCRDJS-UHFFFAOYSA-N 1 0 308.422 3.559 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1ccc(C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000161593800 1019436907 /nfs/dbraw/zinc/43/69/07/1019436907.db2.gz FGIWXEXFJIUHDD-GOSISDBHSA-N 1 0 313.401 3.972 20 5 DHBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCCCC1 ZINC000750059689 1019591440 /nfs/dbraw/zinc/59/14/40/1019591440.db2.gz YFJAJURSDUSMQT-QGZVFWFLSA-N 1 0 306.406 3.673 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CC[C@@H]2CCCCO2)C2CC2)cc1 ZINC000347550786 1019621394 /nfs/dbraw/zinc/62/13/94/1019621394.db2.gz QNLQAIZYPVOHLF-KRWDZBQOSA-N 1 0 304.390 3.518 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000067949207 1019821501 /nfs/dbraw/zinc/82/15/01/1019821501.db2.gz BAVJYZCYCNFQRF-CYBMUJFWSA-N 1 0 309.753 3.556 20 5 DHBDRO CC[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000317108140 1019958762 /nfs/dbraw/zinc/95/87/62/1019958762.db2.gz KTGLDUZSFJBIDW-MRXNPFEDSA-N 1 0 305.422 3.510 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000317910301 1020018236 /nfs/dbraw/zinc/01/82/36/1020018236.db2.gz KLBOSPKHOWTJNR-GJZGRUSLSA-N 1 0 306.406 3.908 20 5 DHBDRO CCOc1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000318023121 1020025875 /nfs/dbraw/zinc/02/58/75/1020025875.db2.gz KUBRUYFLTSAWMV-UHFFFAOYSA-N 1 0 300.358 3.592 20 5 DHBDRO CCC[C@H]([NH2+]CC(C)(C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000318461849 1020043591 /nfs/dbraw/zinc/04/35/91/1020043591.db2.gz IBFDTQPEISKTNL-INIZCTEOSA-N 1 0 308.422 3.824 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000318545322 1020045787 /nfs/dbraw/zinc/04/57/87/1020045787.db2.gz JWQZAQYHHLZEKF-DAXOMENPSA-N 1 0 306.406 3.757 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000154218144 1020053855 /nfs/dbraw/zinc/05/38/55/1020053855.db2.gz LVFCLQVMLRXEJQ-DGCLKSJQSA-N 1 0 310.419 3.540 20 5 DHBDRO COc1ccc(C[NH2+]CC2CCC(SC)CC2)cc1[N+](=O)[O-] ZINC000922419718 1020064503 /nfs/dbraw/zinc/06/45/03/1020064503.db2.gz VHDNOCQZWJLFNY-UHFFFAOYSA-N 1 0 324.446 3.615 20 5 DHBDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093481193 1020154048 /nfs/dbraw/zinc/15/40/48/1020154048.db2.gz AFCMPBYUMZQJLZ-GFCCVEGCSA-N 1 0 320.414 3.526 20 5 DHBDRO Cc1cc(NC2CCC(F)(F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000390023796 1020169075 /nfs/dbraw/zinc/16/90/75/1020169075.db2.gz VGHYYBSVHHHZSZ-UHFFFAOYSA-N 1 0 321.327 3.863 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2[nH]ccc21 ZINC000555339125 1020215984 /nfs/dbraw/zinc/21/59/84/1020215984.db2.gz UODGVBRJYUEFGG-UHFFFAOYSA-N 1 0 309.369 3.751 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000330650332 1020236344 /nfs/dbraw/zinc/23/63/44/1020236344.db2.gz JNUWPURMLNYENP-GRDNDAEWSA-N 1 0 306.406 3.757 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)c(Cl)c1 ZINC000090992612 1020313189 /nfs/dbraw/zinc/31/31/89/1020313189.db2.gz GTDJRGUMZRGWGW-ZDUSSCGKSA-N 1 0 302.761 3.678 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000281038458 1020322926 /nfs/dbraw/zinc/32/29/26/1020322926.db2.gz PWEAWKPTHJLBPH-KZNAEPCWSA-N 1 0 318.417 3.500 20 5 DHBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC000766008381 1020359357 /nfs/dbraw/zinc/35/93/57/1020359357.db2.gz WYRPDIPLOYOUJF-CQSZACIVSA-N 1 0 319.449 3.835 20 5 DHBDRO CCN(Cc1ccncc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000348070794 1020492527 /nfs/dbraw/zinc/49/25/27/1020492527.db2.gz JLLGGIWIEYROGL-UHFFFAOYSA-N 1 0 305.765 3.665 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000765846812 1020493093 /nfs/dbraw/zinc/49/30/93/1020493093.db2.gz YUDOQCZPCPTDMG-QZTJIDSGSA-N 1 0 314.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282703092 1020501191 /nfs/dbraw/zinc/50/11/91/1020501191.db2.gz PBZGQBXAEZTVRK-OAHLLOKOSA-N 1 0 324.808 3.687 20 5 DHBDRO CCN(C)c1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000765849195 1020502630 /nfs/dbraw/zinc/50/26/30/1020502630.db2.gz NRNLCSFMXCUFEE-AWEZNQCLSA-N 1 0 313.401 3.902 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccnc(Cl)c1 ZINC000766194713 1020516121 /nfs/dbraw/zinc/51/61/21/1020516121.db2.gz VYEZWHJNSGFYMK-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612457721 1020567956 /nfs/dbraw/zinc/56/79/56/1020567956.db2.gz MGIWOOZEVPGCNB-CDMJZVDBSA-N 1 0 303.362 3.650 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353508894 1020577416 /nfs/dbraw/zinc/57/74/16/1020577416.db2.gz HNSJXPVRAHDNIE-IAGOWNOFSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@H]([NH2+]CCc1ncccc1C)c1cccc([N+](=O)[O-])c1 ZINC000404590754 1020635643 /nfs/dbraw/zinc/63/56/43/1020635643.db2.gz JUEZQOFMBBHCFM-SFHVURJKSA-N 1 0 313.401 3.972 20 5 DHBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000411963927 1020637772 /nfs/dbraw/zinc/63/77/72/1020637772.db2.gz CRLUZZRGHVPHDF-MEBBXXQBSA-N 1 0 312.797 3.541 20 5 DHBDRO CC[S@](=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000735084782 1020690257 /nfs/dbraw/zinc/69/02/57/1020690257.db2.gz UAYSVDNSBVPLSU-QFIPXVFZSA-N 1 0 311.450 3.851 20 5 DHBDRO Cc1nn(C[N@@H+]2CCC[C@H](C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000738237704 1020867769 /nfs/dbraw/zinc/86/77/69/1020867769.db2.gz BHJKLNWYGXAVHP-AWEZNQCLSA-N 1 0 308.426 3.514 20 5 DHBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000581380038 1020884901 /nfs/dbraw/zinc/88/49/01/1020884901.db2.gz GCAYJVXBHPIMCN-BXKDBHETSA-N 1 0 302.296 3.760 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccccc1C ZINC000172451986 1020891020 /nfs/dbraw/zinc/89/10/20/1020891020.db2.gz FIAMIQGWSTVRCA-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO CCC[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766271987 1021003189 /nfs/dbraw/zinc/00/31/89/1021003189.db2.gz WVAJPJKTTNAMCH-WMLDXEAASA-N 1 0 305.422 3.510 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414238219 1021023141 /nfs/dbraw/zinc/02/31/41/1021023141.db2.gz XHMZHNWZCZTXGQ-GMXVVIOVSA-N 1 0 310.419 3.538 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[C@H](C)O1 ZINC000414265108 1021039609 /nfs/dbraw/zinc/03/96/09/1021039609.db2.gz QSSBHNCURWOIAS-IPJQOSJUSA-N 1 0 318.417 3.720 20 5 DHBDRO CC[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414261883 1021040144 /nfs/dbraw/zinc/04/01/44/1021040144.db2.gz JDWDBMGPEDDGHZ-MRXNPFEDSA-N 1 0 306.406 3.841 20 5 DHBDRO COC[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180245556 1021050447 /nfs/dbraw/zinc/05/04/47/1021050447.db2.gz IWTANVLRWUENDW-KSSFIOAISA-N 1 0 314.385 3.556 20 5 DHBDRO CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277260 1021209284 /nfs/dbraw/zinc/20/92/84/1021209284.db2.gz MDQKKMJOLPDLPC-SJORKVTESA-N 1 0 306.406 3.529 20 5 DHBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743381058 1021287658 /nfs/dbraw/zinc/28/76/58/1021287658.db2.gz TUDZNGAUMCHYJK-CZUORRHYSA-N 1 0 316.405 3.803 20 5 DHBDRO COCCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000189147939 1021332438 /nfs/dbraw/zinc/33/24/38/1021332438.db2.gz OYBFEYLUXAXHCW-UHFFFAOYSA-N 1 0 320.433 3.714 20 5 DHBDRO CC(C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000618618953 1021455563 /nfs/dbraw/zinc/45/55/63/1021455563.db2.gz IMYIRJPJUROVKL-UHFFFAOYSA-N 1 0 324.384 3.539 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccccc3C3CC3)nc2c1 ZINC000618618674 1021456059 /nfs/dbraw/zinc/45/60/59/1021456059.db2.gz GKVURAUPRCKCDD-UHFFFAOYSA-N 1 0 322.368 3.638 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850376322 1021497724 /nfs/dbraw/zinc/49/77/24/1021497724.db2.gz XLQHTVYCHMRRCG-SHDPZIPESA-N 1 0 324.380 3.766 20 5 DHBDRO CC1(C)[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(F)F ZINC000850393428 1021506082 /nfs/dbraw/zinc/50/60/82/1021506082.db2.gz CKSAYKOCBNXRSS-LLVKDONJSA-N 1 0 304.724 3.629 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000695083595 1021507601 /nfs/dbraw/zinc/50/76/01/1021507601.db2.gz XFLUXEVBYOCKFR-LLVKDONJSA-N 1 0 304.724 3.916 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@H]2COC3(CCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000850523305 1021576116 /nfs/dbraw/zinc/57/61/16/1021576116.db2.gz FSOSEOZRCDSONY-MLGOLLRUSA-N 1 0 316.401 3.618 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000850525067 1021576554 /nfs/dbraw/zinc/57/65/54/1021576554.db2.gz KMMJTJLYIBRVTC-HOCLYGCPSA-N 1 0 304.390 3.737 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CC2SCCS2)c2cc([N+](=O)[O-])ccc21 ZINC000850559959 1021605826 /nfs/dbraw/zinc/60/58/26/1021605826.db2.gz HOSSDLKUCGZUNT-CYBMUJFWSA-N 1 0 324.471 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](CC3CC3)CC3CCC3)nc2c1 ZINC000619516857 1021783371 /nfs/dbraw/zinc/78/33/71/1021783371.db2.gz RPOXIISBOWOUNI-UHFFFAOYSA-N 1 0 315.373 3.748 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000746053612 1021837991 /nfs/dbraw/zinc/83/79/91/1021837991.db2.gz GAOXXNQZNNPSEO-CQSZACIVSA-N 1 0 312.797 3.543 20 5 DHBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000746090120 1021850299 /nfs/dbraw/zinc/85/02/99/1021850299.db2.gz MUIWMNDBBSUFRQ-UHFFFAOYSA-N 1 0 311.813 3.559 20 5 DHBDRO COc1cc(C[N@H+](CC2CCC2)C(C)C)c([N+](=O)[O-])cc1OC ZINC000195079801 1021887455 /nfs/dbraw/zinc/88/74/55/1021887455.db2.gz CIMGJKXLFFCSFO-UHFFFAOYSA-N 1 0 322.405 3.623 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)cs1 ZINC000619846224 1021921624 /nfs/dbraw/zinc/92/16/24/1021921624.db2.gz KLFYAROPEGZEMF-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO COCC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000341228953 1022057713 /nfs/dbraw/zinc/05/77/13/1022057713.db2.gz VZKCRXIPMHLVPJ-UHFFFAOYSA-N 1 0 316.357 3.514 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1F ZINC000852084138 1022070573 /nfs/dbraw/zinc/07/05/73/1022070573.db2.gz QEPGTZLQJKCLBA-AWEZNQCLSA-N 1 0 315.348 3.509 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CC2CC2)C2CCCCC2)cc1 ZINC000776582464 1022095703 /nfs/dbraw/zinc/09/57/03/1022095703.db2.gz URSLYDHYYDCTIF-SFHVURJKSA-N 1 0 318.417 3.673 20 5 DHBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCCCC1 ZINC000776581371 1022099129 /nfs/dbraw/zinc/09/91/29/1022099129.db2.gz IEKMQPQOBYHCPX-QGZVFWFLSA-N 1 0 306.406 3.673 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCC23CCCCC3)c1 ZINC000852310670 1022101910 /nfs/dbraw/zinc/10/19/10/1022101910.db2.gz RWARJLRFIVQHMI-IRXDYDNUSA-N 1 0 318.417 3.721 20 5 DHBDRO CCCCC[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587920 1022103406 /nfs/dbraw/zinc/10/34/06/1022103406.db2.gz ZMYPCGMBHYZMJH-DOTOQJQBSA-N 1 0 306.406 3.673 20 5 DHBDRO CC(C)CC[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587603 1022103518 /nfs/dbraw/zinc/10/35/18/1022103518.db2.gz XHCKMDUGYZMPJM-NVXWUHKLSA-N 1 0 306.406 3.529 20 5 DHBDRO CC[C@@](C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776604293 1022140003 /nfs/dbraw/zinc/14/00/03/1022140003.db2.gz ATURKHYKWJCKNW-ZWKOTPCHSA-N 1 0 314.385 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1F ZINC000852594141 1022146231 /nfs/dbraw/zinc/14/62/31/1022146231.db2.gz AASVSGBRFSWOGE-RHSMWYFYSA-N 1 0 322.380 3.515 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C/C(=C/F)CCc2ccc(F)cc2)C1 ZINC001168980632 1022197950 /nfs/dbraw/zinc/19/79/50/1022197950.db2.gz FDNSZEFTOILCFA-FIOCRVBZSA-N 1 0 324.371 3.647 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC001168976548 1022198056 /nfs/dbraw/zinc/19/80/56/1022198056.db2.gz DPQXUSIUOUGCRV-LAVFITLUSA-N 1 0 302.418 3.748 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C(F)(F)F ZINC001168979245 1022198191 /nfs/dbraw/zinc/19/81/91/1022198191.db2.gz XSPQUOUGRDIBQX-CHWSQXEVSA-N 1 0 316.323 3.549 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(F)c2)C2CCC2)C1 ZINC001168984308 1022199531 /nfs/dbraw/zinc/19/95/31/1022199531.db2.gz LTRBFKCBZVEVBT-CSMYWGQOSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC001168959356 1022200858 /nfs/dbraw/zinc/20/08/58/1022200858.db2.gz VDCNAGMWXKWNJK-QAPCUYQASA-N 1 0 310.397 3.889 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC001168966961 1022204141 /nfs/dbraw/zinc/20/41/41/1022204141.db2.gz MLKFRRLDDRDQDN-JOYOIKCWSA-N 1 0 303.189 3.528 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)c(Cl)c1 ZINC001168973307 1022205542 /nfs/dbraw/zinc/20/55/42/1022205542.db2.gz NVGXUNKIHBJVML-JFGNBEQYSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(CC3CC3)CCC(F)(F)CC2)C1 ZINC001168999684 1022210627 /nfs/dbraw/zinc/21/06/27/1022210627.db2.gz UHWFLEWCARBTBC-UONOGXRCSA-N 1 0 316.392 3.770 20 5 DHBDRO C[N@H+](Cc1cccc(Cl)c1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035289 1022221188 /nfs/dbraw/zinc/22/11/88/1022221188.db2.gz KARLPOILWUESCC-JQWIXIFHSA-N 1 0 317.216 3.871 20 5 DHBDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035643 1022221665 /nfs/dbraw/zinc/22/16/65/1022221665.db2.gz KYSYWMBIJLOKLQ-TZMCWYRMSA-N 1 0 316.323 3.583 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](Cc2ccccn2)C2CCCCC2)C1 ZINC001169039130 1022222068 /nfs/dbraw/zinc/22/20/68/1022222068.db2.gz NMNXDPBJGSETAA-QAPCUYQASA-N 1 0 317.433 3.662 20 5 DHBDRO C[Si](C)(C)C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036763 1022222293 /nfs/dbraw/zinc/22/22/93/1022222293.db2.gz PWTVAZATLCAKBH-IAGOWNOFSA-N 1 0 320.509 3.811 20 5 DHBDRO COc1cccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169142911 1022275465 /nfs/dbraw/zinc/27/54/65/1022275465.db2.gz HRNOXZKNIVGCMF-PXAZEXFGSA-N 1 0 321.421 3.559 20 5 DHBDRO [NH3+]Cc1cccc2c1cnn2-c1ccc([N+](=O)[O-])c2ccccc21 ZINC001169193459 1022292544 /nfs/dbraw/zinc/29/25/44/1022292544.db2.gz WOJZSPSQYNOYAR-UHFFFAOYSA-N 1 0 318.336 3.546 20 5 DHBDRO CCC(CC)[N@H+](CCOC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705100 1022334907 /nfs/dbraw/zinc/33/49/07/1022334907.db2.gz PUKSMRASZVLYMV-UHFFFAOYSA-N 1 0 314.813 3.885 20 5 DHBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190211335 1022341610 /nfs/dbraw/zinc/34/16/10/1022341610.db2.gz AWTVZYAOKCBTQL-SFHVURJKSA-N 1 0 320.433 3.703 20 5 DHBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000610133445 1022424729 /nfs/dbraw/zinc/42/47/29/1022424729.db2.gz PBDRAJSKEBUNMU-GVDBMIGSSA-N 1 0 318.417 3.620 20 5 DHBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001169553362 1022448632 /nfs/dbraw/zinc/44/86/32/1022448632.db2.gz CNWDZKXQXNFYDY-PBHICJAKSA-N 1 0 306.406 3.922 20 5 DHBDRO C[NH+](C)CCC(C)(C)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001169718775 1022519278 /nfs/dbraw/zinc/51/92/78/1022519278.db2.gz WTZFJENYGIIGLV-UHFFFAOYSA-N 1 0 319.327 3.756 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000615721293 1022547656 /nfs/dbraw/zinc/54/76/56/1022547656.db2.gz YKCFCZSLXQCUGN-CRPZLVSXSA-N 1 0 308.381 3.928 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2nsc3ccccc23)c1 ZINC001203248527 1022602243 /nfs/dbraw/zinc/60/22/43/1022602243.db2.gz IGIJTAWWFFAPOH-UHFFFAOYSA-N 1 0 313.382 3.537 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC(F)(F)F)CCCC2 ZINC000417316256 1022673143 /nfs/dbraw/zinc/67/31/43/1022673143.db2.gz UDOYIRYSVKZMCO-ZDUSSCGKSA-N 1 0 302.296 3.904 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3OCCC[C@H]13)CCCC2 ZINC000417316019 1022673630 /nfs/dbraw/zinc/67/36/30/1022673630.db2.gz AHHCXGKUCMNSLF-VDHUWJSZSA-N 1 0 316.401 3.519 20 5 DHBDRO CCC(O)(CC)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417338949 1022685775 /nfs/dbraw/zinc/68/57/75/1022685775.db2.gz KXXCLWIYIUQASW-INIZCTEOSA-N 1 0 306.406 3.503 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccsc1[N+](=O)[O-])c1cccc(F)c1 ZINC000068659183 1022715632 /nfs/dbraw/zinc/71/56/32/1022715632.db2.gz VLDZNKWJGRWIRO-CYBMUJFWSA-N 1 0 309.366 3.510 20 5 DHBDRO COc1cc(C)cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000566475176 1022723356 /nfs/dbraw/zinc/72/33/56/1022723356.db2.gz KTORUIKQGPJAHJ-KRWDZBQOSA-N 1 0 312.369 3.689 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCOC3CCC3)o2)c1 ZINC000742385667 1022829390 /nfs/dbraw/zinc/82/93/90/1022829390.db2.gz NWNYVRZSYUQCDD-UHFFFAOYSA-N 1 0 316.357 3.514 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)ccc1Cl ZINC000768541921 1022985188 /nfs/dbraw/zinc/98/51/88/1022985188.db2.gz MYMVPNOLFNHZPL-GFCCVEGCSA-N 1 0 306.749 3.831 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000770097976 1023273952 /nfs/dbraw/zinc/27/39/52/1023273952.db2.gz CMERUWKRMZNXCI-GFCCVEGCSA-N 1 0 311.813 3.523 20 5 DHBDRO Cc1ncc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000278841873 1023471701 /nfs/dbraw/zinc/47/17/01/1023471701.db2.gz UWYNNYZVCWPFKY-OAHLLOKOSA-N 1 0 303.387 3.527 20 5 DHBDRO CCC[C@H]([NH2+]CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000108943124 1023598262 /nfs/dbraw/zinc/59/82/62/1023598262.db2.gz QIMRELPOFUFVQZ-ZDUSSCGKSA-N 1 0 320.311 3.605 20 5 DHBDRO CS[C@@H]1CC[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000786812603 1023730657 /nfs/dbraw/zinc/73/06/57/1023730657.db2.gz IBBXLFVFFHLFDU-QLLDGSJBSA-N 1 0 306.431 3.872 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3c1cccc3O)CCC2 ZINC000278849887 1023778895 /nfs/dbraw/zinc/77/88/95/1023778895.db2.gz VOEHEUNAQNIKHV-ZWKOTPCHSA-N 1 0 324.380 3.955 20 5 DHBDRO C[N@H+](CCc1cccs1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746675333 1023784515 /nfs/dbraw/zinc/78/45/15/1023784515.db2.gz TWULBPLVZAPXQI-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO CCC[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000112377031 1023804633 /nfs/dbraw/zinc/80/46/33/1023804633.db2.gz HHMBIWYCFDRLMA-CQSZACIVSA-N 1 0 320.414 3.574 20 5 DHBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000314051077 1023846223 /nfs/dbraw/zinc/84/62/23/1023846223.db2.gz BPDVGWHMYRWHAE-SNVBAGLBSA-N 1 0 301.337 3.675 20 5 DHBDRO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499017 1023895049 /nfs/dbraw/zinc/89/50/49/1023895049.db2.gz RIBIYQIGLJCRIY-KBPBESRZSA-N 1 0 313.401 3.849 20 5 DHBDRO C[C@H]([NH2+]C1CC(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788814209 1023945409 /nfs/dbraw/zinc/94/54/09/1023945409.db2.gz KEIMCMKRIVSJBT-JQRITLKVSA-N 1 0 311.385 3.774 20 5 DHBDRO CN(C)C(=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000129749513 1024070780 /nfs/dbraw/zinc/07/07/80/1024070780.db2.gz VPGXIKPABAXWBE-UHFFFAOYSA-N 1 0 306.409 3.561 20 5 DHBDRO CCC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000268978592 1024209871 /nfs/dbraw/zinc/20/98/71/1024209871.db2.gz NZVJABGERXQUTB-OAHLLOKOSA-N 1 0 320.433 3.712 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000130727162 1024210637 /nfs/dbraw/zinc/21/06/37/1024210637.db2.gz MIOFOBHZNVTOQZ-MSOLQXFVSA-N 1 0 314.385 3.678 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN1CCC[C@@H](C)C1 ZINC000531697436 1024272036 /nfs/dbraw/zinc/27/20/36/1024272036.db2.gz RALLRBHMZQZYLA-KBMXLJTQSA-N 1 0 319.449 3.674 20 5 DHBDRO CC[C@H]([NH2+][C@H](CO)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000531738048 1024290308 /nfs/dbraw/zinc/29/03/08/1024290308.db2.gz GJMIZFGBIWKCQJ-ZWKOTPCHSA-N 1 0 314.385 3.678 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CSCc3ccccc32)c1 ZINC000051634409 1024313938 /nfs/dbraw/zinc/31/39/38/1024313938.db2.gz DAARPGUSYDTPMG-MRXNPFEDSA-N 1 0 300.383 3.673 20 5 DHBDRO COc1ccc(C2CC2)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000883258768 1024329552 /nfs/dbraw/zinc/32/95/52/1024329552.db2.gz PBVHDCNGENLWEF-UHFFFAOYSA-N 1 0 312.369 3.771 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125851630 1024332092 /nfs/dbraw/zinc/33/20/92/1024332092.db2.gz LXTLLSJXQJDQMC-HZPDHXFCSA-N 1 0 319.449 3.674 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000453194872 1024394842 /nfs/dbraw/zinc/39/48/42/1024394842.db2.gz IPCTZWQNIBIKKE-OAHLLOKOSA-N 1 0 319.792 3.927 20 5 DHBDRO C[S@@](=O)CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000116918722 1033208460 /nfs/dbraw/zinc/20/84/60/1033208460.db2.gz SOBOALZSAKGXOV-QFIPXVFZSA-N 1 0 311.450 3.851 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883363724 1024405269 /nfs/dbraw/zinc/40/52/69/1024405269.db2.gz LNWFMXSZCKVOQT-QXSWTLKVSA-N 1 0 316.401 3.689 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(OC)CCCC2)cc1[N+](=O)[O-] ZINC000453219822 1024410350 /nfs/dbraw/zinc/41/03/50/1024410350.db2.gz IEVQKSHIBQJOBW-CYBMUJFWSA-N 1 0 322.405 3.603 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453310612 1024456436 /nfs/dbraw/zinc/45/64/36/1024456436.db2.gz FPMYPKNRZALGAT-KGLIPLIRSA-N 1 0 304.390 3.595 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1OC ZINC000453322613 1024463672 /nfs/dbraw/zinc/46/36/72/1024463672.db2.gz IWUJCVZJVWDZSN-UMVBOHGHSA-N 1 0 324.446 3.623 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C)no1 ZINC000271173788 1024466686 /nfs/dbraw/zinc/46/66/86/1024466686.db2.gz USTZTGYIHGVRMB-GFCCVEGCSA-N 1 0 321.402 3.552 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000271295026 1024484424 /nfs/dbraw/zinc/48/44/24/1024484424.db2.gz SOGMOKCIIOUMOH-OCCSQVGLSA-N 1 0 316.357 3.512 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453586483 1024543045 /nfs/dbraw/zinc/54/30/45/1024543045.db2.gz VEPSPXYILRWGNH-IDJPSDCMSA-N 1 0 318.417 3.793 20 5 DHBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000585725995 1024576446 /nfs/dbraw/zinc/57/64/46/1024576446.db2.gz DYKBPHXZSRZWSU-CYBMUJFWSA-N 1 0 317.364 3.802 20 5 DHBDRO COc1ccccc1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283074838 1024585965 /nfs/dbraw/zinc/58/59/65/1024585965.db2.gz KJMJRHLMWOGHBH-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO CCCO[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000108396908 1024639275 /nfs/dbraw/zinc/63/92/75/1024639275.db2.gz CMHLSUQVZIMHFM-MRXNPFEDSA-N 1 0 306.406 3.684 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000348931365 1024650655 /nfs/dbraw/zinc/65/06/55/1024650655.db2.gz AWHSAAVBERRQFX-RLXIPRIJSA-N 1 0 309.369 3.840 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2N)cc1[N+](=O)[O-] ZINC000877074117 1033228893 /nfs/dbraw/zinc/22/88/93/1033228893.db2.gz ZLVXTIDDIPPSSO-LLVKDONJSA-N 1 0 319.792 3.990 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170297825 1024729701 /nfs/dbraw/zinc/72/97/01/1024729701.db2.gz SSOQAFNUMOLYBH-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]CC2(F)CCCCC2)c([N+](=O)[O-])c1 ZINC001170299730 1024729933 /nfs/dbraw/zinc/72/99/33/1024729933.db2.gz VQHOOHSXCLQBGY-ZDUSSCGKSA-N 1 0 324.396 3.796 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]CC2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170326848 1024742935 /nfs/dbraw/zinc/74/29/35/1024742935.db2.gz OTJPVNRQPVFSKJ-LBPRGKRZSA-N 1 0 306.406 3.560 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC001170329762 1024745548 /nfs/dbraw/zinc/74/55/48/1024745548.db2.gz TZUWFXYOWYZIDO-CXAGYDPISA-N 1 0 318.417 3.847 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170341246 1024757823 /nfs/dbraw/zinc/75/78/23/1024757823.db2.gz HMXRWBNEBKFGBN-KBPBESRZSA-N 1 0 306.406 3.799 20 5 DHBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000349959750 1024771630 /nfs/dbraw/zinc/77/16/30/1024771630.db2.gz DMTSALHYHWJQHS-IAGOWNOFSA-N 1 0 318.417 3.683 20 5 DHBDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792880197 1024819448 /nfs/dbraw/zinc/81/94/48/1024819448.db2.gz BEUYCAUUZKOQKH-LBPRGKRZSA-N 1 0 321.377 3.904 20 5 DHBDRO CC(C)[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899547 1024838150 /nfs/dbraw/zinc/83/81/50/1024838150.db2.gz WQDSYCMAGLFOBR-KRWDZBQOSA-N 1 0 314.389 3.536 20 5 DHBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000319064532 1025148326 /nfs/dbraw/zinc/14/83/26/1025148326.db2.gz XOUJMPOHWSXBHY-LLVKDONJSA-N 1 0 313.348 3.675 20 5 DHBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000279732537 1025204090 /nfs/dbraw/zinc/20/40/90/1025204090.db2.gz NQLHNOBDRHSDST-RDTXWAMCSA-N 1 0 314.385 3.503 20 5 DHBDRO Cc1[nH]c(C2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884707589 1025232581 /nfs/dbraw/zinc/23/25/81/1025232581.db2.gz RLXQRMHUNANJHR-UHFFFAOYSA-N 1 0 314.389 3.627 20 5 DHBDRO CSC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178566369 1025233810 /nfs/dbraw/zinc/23/38/10/1025233810.db2.gz VGXPXXOKZJEFCQ-GFCCVEGCSA-N 1 0 300.811 3.576 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000897458769 1025350240 /nfs/dbraw/zinc/35/02/40/1025350240.db2.gz DYZMLCWCJXEICI-JKIFEVAISA-N 1 0 320.433 3.882 20 5 DHBDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000897463320 1025366508 /nfs/dbraw/zinc/36/65/08/1025366508.db2.gz DYVBSORYLJKEJB-LLVKDONJSA-N 1 0 319.792 3.845 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465633 1025369364 /nfs/dbraw/zinc/36/93/64/1025369364.db2.gz YQPJIAGTGTXEPQ-UONOGXRCSA-N 1 0 314.385 3.625 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000886049906 1025451948 /nfs/dbraw/zinc/45/19/48/1025451948.db2.gz XTIDQFPGVRAZIA-MRXNPFEDSA-N 1 0 318.417 3.609 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000354699632 1025484843 /nfs/dbraw/zinc/48/48/43/1025484843.db2.gz GJBVXELBEIXTHI-GXTWGEPZSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804812676 1025485344 /nfs/dbraw/zinc/48/53/44/1025485344.db2.gz KQHXSIIHWGOHMQ-JSGCOSHPSA-N 1 0 323.824 3.620 20 5 DHBDRO Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)cc1[N+](=O)[O-] ZINC000804815142 1025485870 /nfs/dbraw/zinc/48/58/70/1025485870.db2.gz OSGTZMRZXFWQHL-FUNVUKJBSA-N 1 0 323.824 3.618 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000354715569 1025487004 /nfs/dbraw/zinc/48/70/04/1025487004.db2.gz WZSYIRMPSIAPOT-CHWSQXEVSA-N 1 0 316.357 3.512 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000886109316 1025509452 /nfs/dbraw/zinc/50/94/52/1025509452.db2.gz HNKQEBSNFOSXTD-XJKSGUPXSA-N 1 0 304.390 3.595 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000886114506 1025514167 /nfs/dbraw/zinc/51/41/67/1025514167.db2.gz QOPHNTYNKTYORG-ZIAGYGMSSA-N 1 0 304.390 3.595 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C2CC2)no1 ZINC000886683087 1025784038 /nfs/dbraw/zinc/78/40/38/1025784038.db2.gz WYHVIAXJTBFTEF-GFCCVEGCSA-N 1 0 315.373 3.571 20 5 DHBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000236981449 1025974236 /nfs/dbraw/zinc/97/42/36/1025974236.db2.gz ANQDOVBIDIWUJC-GUYCJALGSA-N 1 0 308.422 3.605 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cnc(C)s1 ZINC000347365902 1026031035 /nfs/dbraw/zinc/03/10/35/1026031035.db2.gz MHNGKLNDYODTRB-GHXNOFRVSA-N 1 0 317.414 3.895 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000089512640 1026051945 /nfs/dbraw/zinc/05/19/45/1026051945.db2.gz BLXUISAWIDRPFQ-MRXNPFEDSA-N 1 0 314.410 3.715 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289652363 1026114214 /nfs/dbraw/zinc/11/42/14/1026114214.db2.gz TWFCIOPFHZVQDF-XYPHTWIQSA-N 1 0 316.401 3.689 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807916155 1026146367 /nfs/dbraw/zinc/14/63/67/1026146367.db2.gz NPDZZZNURRYJMJ-ZDUSSCGKSA-N 1 0 321.421 3.720 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000280111184 1026594456 /nfs/dbraw/zinc/59/44/56/1026594456.db2.gz OVQLIBLBQKVVHP-XHDPSFHLSA-N 1 0 306.431 3.660 20 5 DHBDRO CC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000809733150 1026597126 /nfs/dbraw/zinc/59/71/26/1026597126.db2.gz PPPUSLMTHIFNKR-INIZCTEOSA-N 1 0 306.406 3.578 20 5 DHBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987732 1026656249 /nfs/dbraw/zinc/65/62/49/1026656249.db2.gz KFDDYWPVMFZCKZ-ISVAXAHUSA-N 1 0 319.188 3.559 20 5 DHBDRO COC1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000419778035 1026762132 /nfs/dbraw/zinc/76/21/32/1026762132.db2.gz KYMHSQWEIQFYMY-RAXLEYEMSA-N 1 0 304.390 3.545 20 5 DHBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420283897 1026798465 /nfs/dbraw/zinc/79/84/65/1026798465.db2.gz OJQDTBIAIUIPMI-KOLCDFICSA-N 1 0 317.311 3.543 20 5 DHBDRO Cc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000811812193 1027091258 /nfs/dbraw/zinc/09/12/58/1027091258.db2.gz OFERYRMZHDYSHT-QWRGUYRKSA-N 1 0 309.797 3.594 20 5 DHBDRO C[N@@H+]1CCC[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000228849185 1027128944 /nfs/dbraw/zinc/12/89/44/1027128944.db2.gz UWKHJWJUKFTHCL-SECBINFHSA-N 1 0 318.204 3.655 20 5 DHBDRO Cc1ncsc1CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001170650192 1027143637 /nfs/dbraw/zinc/14/36/37/1027143637.db2.gz GMXOGMLODWKBJU-UHFFFAOYSA-N 1 0 319.430 3.817 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000362385009 1027175408 /nfs/dbraw/zinc/17/54/08/1027175408.db2.gz QBJWFJJNCJYKLM-ZFWWWQNUSA-N 1 0 324.446 3.709 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000362385008 1027176063 /nfs/dbraw/zinc/17/60/63/1027176063.db2.gz QBJWFJJNCJYKLM-UKRRQHHQSA-N 1 0 324.446 3.709 20 5 DHBDRO CSC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000356047328 1027280704 /nfs/dbraw/zinc/28/07/04/1027280704.db2.gz ADSQAOBDLZWMPT-UHFFFAOYSA-N 1 0 306.431 3.845 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CS1 ZINC000575235381 1027468177 /nfs/dbraw/zinc/46/81/77/1027468177.db2.gz BIHWEQBJUMUNLV-AXAPSJFSSA-N 1 0 306.431 3.846 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)cc1F ZINC000296001363 1027515426 /nfs/dbraw/zinc/51/54/26/1027515426.db2.gz PUVGTIPZMGCORW-OAHLLOKOSA-N 1 0 315.348 3.509 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000296012036 1027516937 /nfs/dbraw/zinc/51/69/37/1027516937.db2.gz LSKMKMWXEYZBRJ-LBPRGKRZSA-N 1 0 315.329 3.662 20 5 DHBDRO CCn1cc([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000296061421 1027531915 /nfs/dbraw/zinc/53/19/15/1027531915.db2.gz VWZNLWYOLDSOBK-SJKOYZFVSA-N 1 0 314.389 3.539 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423448956 1027548204 /nfs/dbraw/zinc/54/82/04/1027548204.db2.gz QZJZPUOQLIWBHH-CYBMUJFWSA-N 1 0 311.385 3.804 20 5 DHBDRO CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423499720 1027563217 /nfs/dbraw/zinc/56/32/17/1027563217.db2.gz JLHJVPFZOBZUNB-UGSOOPFHSA-N 1 0 313.401 3.508 20 5 DHBDRO C[C@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000576582453 1027636177 /nfs/dbraw/zinc/63/61/77/1027636177.db2.gz MLTARGRPGVUIPB-JTQLQIEISA-N 1 0 303.387 3.780 20 5 DHBDRO O=[N+]([O-])c1cc(CN2CCC[C@H](OCC3CC3)C2)ccc1Cl ZINC000778173301 1027740670 /nfs/dbraw/zinc/74/06/70/1027740670.db2.gz RVHCELZRBGKIAJ-AWEZNQCLSA-N 1 0 324.808 3.639 20 5 DHBDRO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000448361123 1027755653 /nfs/dbraw/zinc/75/56/53/1027755653.db2.gz VWWGJIGLTGOWPT-GDBMZVCRSA-N 1 0 320.433 3.844 20 5 DHBDRO CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000297056726 1027787307 /nfs/dbraw/zinc/78/73/07/1027787307.db2.gz VTSMXCZZRDQEOE-QWHCGFSZSA-N 1 0 302.378 3.531 20 5 DHBDRO Cc1cc([C@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000364017062 1027797430 /nfs/dbraw/zinc/79/74/30/1027797430.db2.gz ZFTSMRXURVFKBI-HIFRSBDPSA-N 1 0 314.389 3.567 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2cccc(C[NH2+]C3CCOCC3)c2)cc1 ZINC000600783674 1027829487 /nfs/dbraw/zinc/82/94/87/1027829487.db2.gz GIHUNNLEMKTCEJ-UHFFFAOYSA-N 1 0 312.369 3.530 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000601101175 1027984626 /nfs/dbraw/zinc/98/46/26/1027984626.db2.gz OMGYTIDGCRFYII-UHFFFAOYSA-N 1 0 324.302 3.989 20 5 DHBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000601272510 1028053446 /nfs/dbraw/zinc/05/34/46/1028053446.db2.gz GGQNFXYTGGXPMG-PXAZEXFGSA-N 1 0 312.369 3.942 20 5 DHBDRO C[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000601305360 1028070796 /nfs/dbraw/zinc/07/07/96/1028070796.db2.gz WMNUITHHCFDBGK-WMLDXEAASA-N 1 0 318.417 3.985 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccccc1[N+](=O)[O-] ZINC000601304707 1028072420 /nfs/dbraw/zinc/07/24/20/1028072420.db2.gz QWKCXRSMHZHOBY-ZDUSSCGKSA-N 1 0 312.369 3.518 20 5 DHBDRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578205632 1028088020 /nfs/dbraw/zinc/08/80/20/1028088020.db2.gz WEALAWVXDURPCC-IAQYHMDHSA-N 1 0 302.399 3.864 20 5 DHBDRO C[C@@H](C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000578285700 1028109754 /nfs/dbraw/zinc/10/97/54/1028109754.db2.gz ROZJEHWLGMWOOQ-AWEZNQCLSA-N 1 0 312.369 3.593 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934836993 1028122921 /nfs/dbraw/zinc/12/29/21/1028122921.db2.gz QHVVXEJQXOOQKY-PMPSAXMXSA-N 1 0 318.417 3.794 20 5 DHBDRO O=[N+]([O-])c1ccc(CN2CC[C@@](F)(c3ccccc3)C2)c(F)c1 ZINC000578340466 1028124643 /nfs/dbraw/zinc/12/46/43/1028124643.db2.gz HLWWRQWXSRLOMW-KRWDZBQOSA-N 1 0 318.323 3.805 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+](C)C)c1 ZINC000449041158 1028289079 /nfs/dbraw/zinc/28/90/79/1028289079.db2.gz LMBLOPVJGIXZAI-CQSZACIVSA-N 1 0 313.401 3.700 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOc1ccccc1 ZINC000449067353 1028326043 /nfs/dbraw/zinc/32/60/43/1028326043.db2.gz KTYHSXLQSIBQAP-OAHLLOKOSA-N 1 0 314.385 3.585 20 5 DHBDRO C[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000449170748 1028412512 /nfs/dbraw/zinc/41/25/12/1028412512.db2.gz RUHGRBZIXOFDAR-LBPRGKRZSA-N 1 0 320.339 3.809 20 5 DHBDRO C[C@@H]1[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCC12CCOCC2 ZINC000368832567 1028413931 /nfs/dbraw/zinc/41/39/31/1028413931.db2.gz FQCIBVOVQQVLDG-LBPRGKRZSA-N 1 0 324.808 3.639 20 5 DHBDRO Cc1c(C[N@@H+](C)[C@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000369035331 1028436247 /nfs/dbraw/zinc/43/62/47/1028436247.db2.gz LOHWGBYLIZLBLS-KRWDZBQOSA-N 1 0 311.385 3.808 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449197324 1028450768 /nfs/dbraw/zinc/45/07/68/1028450768.db2.gz YYGRZYVYGMJFHQ-NEPJUHHUSA-N 1 0 317.389 3.524 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000449214735 1028457874 /nfs/dbraw/zinc/45/78/74/1028457874.db2.gz YZXZQKPCDJMDNT-KMFMINBZSA-N 1 0 320.433 3.709 20 5 DHBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369560532 1028503132 /nfs/dbraw/zinc/50/31/32/1028503132.db2.gz HIUHLWRCURRBFA-MLGOLLRUSA-N 1 0 317.414 3.761 20 5 DHBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000449283749 1028509963 /nfs/dbraw/zinc/50/99/63/1028509963.db2.gz MMCOUINJRMLOKF-CYBMUJFWSA-N 1 0 302.378 3.530 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000564916335 1028517982 /nfs/dbraw/zinc/51/79/82/1028517982.db2.gz LRKYBUUPGYLJSY-FZMZJTMJSA-N 1 0 308.353 3.507 20 5 DHBDRO C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562828 1028544264 /nfs/dbraw/zinc/54/42/64/1028544264.db2.gz NJMDYRDOVVXOEH-GHMZBOCLSA-N 1 0 305.403 3.520 20 5 DHBDRO CCC(CC)[C@@H](CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000815596909 1028562181 /nfs/dbraw/zinc/56/21/81/1028562181.db2.gz HUCSEKPDBREVEQ-SJKOYZFVSA-N 1 0 323.437 3.669 20 5 DHBDRO CC(C)OC1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815597766 1028562821 /nfs/dbraw/zinc/56/28/21/1028562821.db2.gz FXBBPCUEIAPGIP-GRTSSRMGSA-N 1 0 321.421 3.564 20 5 DHBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)C1 ZINC000565425268 1028586124 /nfs/dbraw/zinc/58/61/24/1028586124.db2.gz DDINIMYSXUCEIS-NSHDSACASA-N 1 0 303.362 3.604 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815648372 1028592339 /nfs/dbraw/zinc/59/23/39/1028592339.db2.gz KUQGTBDRYUVNMR-RCBQFDQVSA-N 1 0 311.385 3.631 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449380064 1028601545 /nfs/dbraw/zinc/60/15/45/1028601545.db2.gz VCFRJNYTFWMGSK-JSGCOSHPSA-N 1 0 312.360 3.941 20 5 DHBDRO CC[C@@](C)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000449480205 1028679786 /nfs/dbraw/zinc/67/97/86/1028679786.db2.gz XVDOWENQCMHYBN-KRWDZBQOSA-N 1 0 318.373 3.760 20 5 DHBDRO CO[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1(C)C ZINC000449504823 1028725402 /nfs/dbraw/zinc/72/54/02/1028725402.db2.gz WFAOSLZAKIBFGA-KRWDZBQOSA-N 1 0 320.433 3.965 20 5 DHBDRO CCO[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449510317 1028736131 /nfs/dbraw/zinc/73/61/31/1028736131.db2.gz XCGNAKACWQWIKY-QAEGFZEYSA-N 1 0 318.417 3.745 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000371635203 1028738641 /nfs/dbraw/zinc/73/86/41/1028738641.db2.gz TUYASLSXTGHDGB-AWEZNQCLSA-N 1 0 317.433 3.652 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000449568432 1028809831 /nfs/dbraw/zinc/80/98/31/1028809831.db2.gz ZFTOIWZAAKFXHE-UHFFFAOYSA-N 1 0 318.323 3.738 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449687606 1028924964 /nfs/dbraw/zinc/92/49/64/1028924964.db2.gz QFHNHABNWFNPIM-SFHVURJKSA-N 1 0 318.417 3.721 20 5 DHBDRO CC(=O)N[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000817412022 1029153241 /nfs/dbraw/zinc/15/32/41/1029153241.db2.gz BJEIAOCUWLQOME-GOSISDBHSA-N 1 0 318.420 3.703 20 5 DHBDRO CCC(CC)[N@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000570546314 1029383822 /nfs/dbraw/zinc/38/38/22/1029383822.db2.gz KIXHINBMBSXKEO-UHFFFAOYSA-N 1 0 318.377 3.655 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000441444732 1029732786 /nfs/dbraw/zinc/73/27/86/1029732786.db2.gz HLBKOJPJUIIWPR-WMLDXEAASA-N 1 0 304.390 3.628 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCC1(F)F ZINC000450932770 1029736641 /nfs/dbraw/zinc/73/66/41/1029736641.db2.gz COFZDCMDWYTXOC-AWEZNQCLSA-N 1 0 312.360 3.895 20 5 DHBDRO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451545912 1029906187 /nfs/dbraw/zinc/90/61/87/1029906187.db2.gz HVDKQKGEEXJSRT-UKRRQHHQSA-N 1 0 315.373 3.832 20 5 DHBDRO CCOc1cc(F)cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000865580843 1029925069 /nfs/dbraw/zinc/92/50/69/1029925069.db2.gz FTLFQFGPUWLHPP-LBPRGKRZSA-N 1 0 318.348 3.983 20 5 DHBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](CO)C(C)C ZINC000451612757 1029945089 /nfs/dbraw/zinc/94/50/89/1029945089.db2.gz MUEHOBGMNYWYQM-RRQGHBQHSA-N 1 0 308.422 3.535 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCSC3(CCCCC3)C2)c1 ZINC000530710821 1029971072 /nfs/dbraw/zinc/97/10/72/1029971072.db2.gz NWRPPYPCLSNWGX-UHFFFAOYSA-N 1 0 306.431 3.847 20 5 DHBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000530952911 1030093485 /nfs/dbraw/zinc/09/34/85/1030093485.db2.gz ACUZVRDGWVXWRY-AEFFLSMTSA-N 1 0 319.449 3.585 20 5 DHBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865968181 1030097608 /nfs/dbraw/zinc/09/76/08/1030097608.db2.gz OKMVUKLEIUOFGI-NSHDSACASA-N 1 0 313.348 3.676 20 5 DHBDRO Cc1csc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866256777 1030182760 /nfs/dbraw/zinc/18/27/60/1030182760.db2.gz POQRJFFLLOIHRP-GXSJLCMTSA-N 1 0 323.393 3.781 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[C@H]1CCCCO1 ZINC000866339270 1030239043 /nfs/dbraw/zinc/23/90/43/1030239043.db2.gz IBWSXBZULZWEMY-XJKSGUPXSA-N 1 0 324.396 3.604 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000866351843 1030247633 /nfs/dbraw/zinc/24/76/33/1030247633.db2.gz RVCNTUGNHNLQAU-WDEREUQCSA-N 1 0 316.323 3.690 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)CC(F)(F)F ZINC000866376603 1030266658 /nfs/dbraw/zinc/26/66/58/1030266658.db2.gz XJHRLPFZHSNOMW-VHSXEESVSA-N 1 0 322.302 3.843 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000866394596 1030275598 /nfs/dbraw/zinc/27/55/98/1030275598.db2.gz WNVFCHJDMMWCQL-RNCFNFMXSA-N 1 0 316.323 3.546 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCSC1 ZINC000866401832 1030281119 /nfs/dbraw/zinc/28/11/19/1030281119.db2.gz FQDUQUQZUMSHOY-ZIAGYGMSSA-N 1 0 308.447 3.649 20 5 DHBDRO Cc1scc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000866430039 1030294798 /nfs/dbraw/zinc/29/47/98/1030294798.db2.gz QQAQOYDKRYVDTF-JTQLQIEISA-N 1 0 305.403 3.706 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cnn1C(C)C ZINC000866541320 1030362418 /nfs/dbraw/zinc/36/24/18/1030362418.db2.gz YFCZRSOWVUFHML-CYBMUJFWSA-N 1 0 316.405 3.840 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)C(C)(F)F ZINC000866546315 1030364699 /nfs/dbraw/zinc/36/46/99/1030364699.db2.gz NGLYEDKYRWGKMS-SNVBAGLBSA-N 1 0 318.339 3.936 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C2CC3(C2)COC(C)(C)C3)cc1[N+](=O)[O-] ZINC000925495760 1030378087 /nfs/dbraw/zinc/37/80/87/1030378087.db2.gz NSLMLGJRIUQHBD-MJJDPTRDSA-N 1 0 318.417 3.902 20 5 DHBDRO COCC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000825245936 1030759456 /nfs/dbraw/zinc/75/94/56/1030759456.db2.gz UUUVODLYLNJKAU-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1(Br)CC1 ZINC000926494049 1030764321 /nfs/dbraw/zinc/76/43/21/1030764321.db2.gz YINLQSCZNGOTFR-VHSXEESVSA-N 1 0 313.195 3.561 20 5 DHBDRO CC1(C)SC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000558790753 1030808124 /nfs/dbraw/zinc/80/81/24/1030808124.db2.gz OHAGLSWCGCTTTC-OAHLLOKOSA-N 1 0 318.398 3.838 20 5 DHBDRO COc1ccc([C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000191900820 1030866930 /nfs/dbraw/zinc/86/69/30/1030866930.db2.gz ADIAUNNRJZMLKH-SFHVURJKSA-N 1 0 312.369 3.844 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)c2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC000926797294 1030933624 /nfs/dbraw/zinc/93/36/24/1030933624.db2.gz SDGZSKBTIGCNOF-CYBMUJFWSA-N 1 0 314.389 3.676 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000926890862 1030969832 /nfs/dbraw/zinc/96/98/32/1030969832.db2.gz GEJBGLPZPOZUNK-NEPJUHHUSA-N 1 0 314.341 3.735 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000926950463 1031011930 /nfs/dbraw/zinc/01/19/30/1031011930.db2.gz RZZAHDKUARORFM-JFGNBEQYSA-N 1 0 302.296 3.752 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCS1 ZINC000927028531 1031040632 /nfs/dbraw/zinc/04/06/32/1031040632.db2.gz AXPOCKXZTLMKCX-WQVCFCJDSA-N 1 0 320.458 3.790 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000927030305 1031041493 /nfs/dbraw/zinc/04/14/93/1031041493.db2.gz HQMDDEDQTMRJAT-IPYPFGDCSA-N 1 0 308.447 3.790 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000927066085 1031060687 /nfs/dbraw/zinc/06/06/87/1031060687.db2.gz KRWVNEDXBQQPOE-DYVFJYSZSA-N 1 0 316.405 3.685 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927126740 1031107703 /nfs/dbraw/zinc/10/77/03/1031107703.db2.gz ZJYOWZJLWAGZDZ-STQMWFEESA-N 1 0 322.380 3.876 20 5 DHBDRO C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927126737 1031107723 /nfs/dbraw/zinc/10/77/23/1031107723.db2.gz ZJYOWZJLWAGZDZ-CHWSQXEVSA-N 1 0 322.380 3.876 20 5 DHBDRO Cc1c(C[NH2+]Cc2cnc(CC(C)C)s2)cccc1[N+](=O)[O-] ZINC000359806522 1031145581 /nfs/dbraw/zinc/14/55/81/1031145581.db2.gz VUNWVEFNIPNQAJ-UHFFFAOYSA-N 1 0 319.430 3.848 20 5 DHBDRO Cc1cc(NC[C@@H](c2ccsc2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000359838198 1031159367 /nfs/dbraw/zinc/15/93/67/1031159367.db2.gz IXGSZOCFGLKWSG-HNNXBMFYSA-N 1 0 323.393 3.819 20 5 DHBDRO Cc1cc(N(CC[NH+](C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000536646577 1031245444 /nfs/dbraw/zinc/24/54/44/1031245444.db2.gz ATAMVRYLHFKPGC-UHFFFAOYSA-N 1 0 319.430 3.533 20 5 DHBDRO C[C@@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000777701850 1031358578 /nfs/dbraw/zinc/35/85/78/1031358578.db2.gz QHPPLAAUBXRLLL-GFCCVEGCSA-N 1 0 317.364 3.969 20 5 DHBDRO C[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000293172801 1031361309 /nfs/dbraw/zinc/36/13/09/1031361309.db2.gz STGTZNQVEGINKX-RISCZKNCSA-N 1 0 320.780 3.532 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccccn1 ZINC000872016112 1031396969 /nfs/dbraw/zinc/39/69/69/1031396969.db2.gz FBHBDSRIJKHHFT-GFCCVEGCSA-N 1 0 317.414 3.605 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccnc1 ZINC000872016721 1031397095 /nfs/dbraw/zinc/39/70/95/1031397095.db2.gz NWQUKTHTCYKZJE-NSHDSACASA-N 1 0 303.387 3.563 20 5 DHBDRO CC[C@H](CCC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000872032733 1031417618 /nfs/dbraw/zinc/41/76/18/1031417618.db2.gz YUJBQDJJIDLYCQ-LLVKDONJSA-N 1 0 320.311 3.814 20 5 DHBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038673 1031421729 /nfs/dbraw/zinc/42/17/29/1031421729.db2.gz ORXZWRBDZCGDNC-GXSJLCMTSA-N 1 0 321.352 3.621 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047991 1031435251 /nfs/dbraw/zinc/43/52/51/1031435251.db2.gz FVKLPIZELAIZOQ-OLZOCXBDSA-N 1 0 322.380 3.876 20 5 DHBDRO CCOCCC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872050707 1031437491 /nfs/dbraw/zinc/43/74/91/1031437491.db2.gz CGBJVCZKPLDYHX-LBPRGKRZSA-N 1 0 310.369 3.591 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000872050069 1031438602 /nfs/dbraw/zinc/43/86/02/1031438602.db2.gz WMXBBZFGXHTTAJ-IMJJTQAJSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074830 1031471048 /nfs/dbraw/zinc/47/10/48/1031471048.db2.gz IVUSLBIQZFJCJY-OLZOCXBDSA-N 1 0 322.380 3.734 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872075226 1031472674 /nfs/dbraw/zinc/47/26/74/1031472674.db2.gz AQAABASSJPOXFJ-UWVGGRQHSA-N 1 0 302.296 3.820 20 5 DHBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872078841 1031474426 /nfs/dbraw/zinc/47/44/26/1031474426.db2.gz SPSNCRPZFCUGKA-UVWXRNBGSA-N 1 0 324.446 3.781 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC1(O)CCC1 ZINC000872080792 1031476462 /nfs/dbraw/zinc/47/64/62/1031476462.db2.gz SGSPKAYUJCNKAZ-LBPRGKRZSA-N 1 0 324.446 3.663 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083088 1031478587 /nfs/dbraw/zinc/47/85/87/1031478587.db2.gz GXDJLZSVFQJMFV-KCTSRDHCSA-N 1 0 322.380 3.732 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872083889 1031479327 /nfs/dbraw/zinc/47/93/27/1031479327.db2.gz BXCOQWATXMORPP-RNCFNFMXSA-N 1 0 302.296 3.820 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085119 1031481484 /nfs/dbraw/zinc/48/14/84/1031481484.db2.gz WMGGCRLBDPRSOL-DIFFPNOSSA-N 1 0 322.380 3.590 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093824 1031490084 /nfs/dbraw/zinc/49/00/84/1031490084.db2.gz XKKDRWZSSIEWKY-PPHDSNJXSA-N 1 0 322.380 3.590 20 5 DHBDRO CC(C)OC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000872115816 1031507272 /nfs/dbraw/zinc/50/72/72/1031507272.db2.gz MFJMTGQPJFQZKL-OAHLLOKOSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129828 1031520748 /nfs/dbraw/zinc/52/07/48/1031520748.db2.gz WPUAYWSJTKLDDS-XJKCOSOUSA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)O)cc1 ZINC000925309314 1031528675 /nfs/dbraw/zinc/52/86/75/1031528675.db2.gz XWINIJXVPVKIOQ-ZDUSSCGKSA-N 1 0 314.385 3.673 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278117 1031572338 /nfs/dbraw/zinc/57/23/38/1031572338.db2.gz GYIRMDNQMFRHMN-CQSZACIVSA-N 1 0 322.380 3.658 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282454 1031576577 /nfs/dbraw/zinc/57/65/77/1031576577.db2.gz KWGBRLDKVKDYFE-MRXNPFEDSA-N 1 0 322.380 3.658 20 5 DHBDRO C[NH+](C)C1CCC(Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845569902 1031631413 /nfs/dbraw/zinc/63/14/13/1031631413.db2.gz WYJZOAARFRNBPV-UHFFFAOYSA-N 1 0 315.776 3.672 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc(C[NH+](C)C)cc1 ZINC000873018094 1031694444 /nfs/dbraw/zinc/69/44/44/1031694444.db2.gz HFHQVRKOEBHYKG-UHFFFAOYSA-N 1 0 313.401 3.885 20 5 DHBDRO Cc1nc(C)c(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000873062293 1031702018 /nfs/dbraw/zinc/70/20/18/1031702018.db2.gz ORMNRQKRFMOWRM-UHFFFAOYSA-N 1 0 305.403 3.575 20 5 DHBDRO CCC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCOCC1 ZINC000873067155 1031702452 /nfs/dbraw/zinc/70/24/52/1031702452.db2.gz WRMPATVJBQRAGL-UHFFFAOYSA-N 1 0 306.406 3.508 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873097671 1031708768 /nfs/dbraw/zinc/70/87/68/1031708768.db2.gz VKJFVPFUTPRTKX-UGSOOPFHSA-N 1 0 314.385 3.505 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873096886 1031710398 /nfs/dbraw/zinc/71/03/98/1031710398.db2.gz ZYMUBVQKYPSJCA-NSHDSACASA-N 1 0 317.389 3.710 20 5 DHBDRO CC[C@H]([NH2+]CCOC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000930233910 1031749982 /nfs/dbraw/zinc/74/99/82/1031749982.db2.gz XMQKOYXQTQAYLH-INIZCTEOSA-N 1 0 324.446 3.548 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c(F)c1 ZINC000846106145 1031879809 /nfs/dbraw/zinc/87/98/09/1031879809.db2.gz YBOHLIDOIOWJBR-JTQLQIEISA-N 1 0 321.179 3.798 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898321591 1032019885 /nfs/dbraw/zinc/01/98/85/1032019885.db2.gz SWTNKFXFNVAEIT-FUHWJXTLSA-N 1 0 309.369 3.718 20 5 DHBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[C@H](C)C1 ZINC000361639572 1032026721 /nfs/dbraw/zinc/02/67/21/1032026721.db2.gz PIDQTGAZIPKYDX-XJKSGUPXSA-N 1 0 306.406 3.540 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000877507814 1033331656 /nfs/dbraw/zinc/33/16/56/1033331656.db2.gz LZATUIRYVRBXFZ-UHFFFAOYSA-N 1 0 318.417 3.604 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000927035255 1033395480 /nfs/dbraw/zinc/39/54/80/1033395480.db2.gz GNMIOVSMSUNSRU-SWLSCSKDSA-N 1 0 318.442 3.990 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)O1 ZINC000877681273 1033410328 /nfs/dbraw/zinc/41/03/28/1033410328.db2.gz FVLFXVPPGGUZQL-LWINAJNOSA-N 1 0 319.188 3.557 20 5 DHBDRO COc1cccc(C)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000877729886 1033422921 /nfs/dbraw/zinc/42/29/21/1033422921.db2.gz DXJAFIKMPOBEJM-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccoc1 ZINC001172904270 1033437358 /nfs/dbraw/zinc/43/73/58/1033437358.db2.gz WCDKHPZUDVKURA-WBMJQRKESA-N 1 0 300.358 3.786 20 5 DHBDRO C[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903281 1033437873 /nfs/dbraw/zinc/43/78/73/1033437873.db2.gz GJXOYQUVZNYNLE-WMLDXEAASA-N 1 0 302.418 3.964 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@@H]3CCC[C@@H]3C1)CC2 ZINC001172903912 1033438035 /nfs/dbraw/zinc/43/80/35/1033438035.db2.gz JLVLFRDRWXXMHU-BBWFWOEESA-N 1 0 300.402 3.574 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1COc3ccccc31)CC2 ZINC001172901896 1033438112 /nfs/dbraw/zinc/43/81/12/1033438112.db2.gz RDABUVFIMCSFFU-MAUKXSAKSA-N 1 0 324.380 3.566 20 5 DHBDRO C[C@]1(F)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1F ZINC001172905818 1033438210 /nfs/dbraw/zinc/43/82/10/1033438210.db2.gz UUHYVNNSNZLTPG-XIRDDKMYSA-N 1 0 324.371 3.614 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC001172901829 1033438257 /nfs/dbraw/zinc/43/82/57/1033438257.db2.gz PSBJFHBONJLPRN-INIZCTEOSA-N 1 0 300.402 3.620 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C[C@H]3CCCC[C@@H]3C1)CC2 ZINC001172908740 1033439384 /nfs/dbraw/zinc/43/93/84/1033439384.db2.gz NDOBHGNAYSJWSW-KZNAEPCWSA-N 1 0 314.429 3.964 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccn1 ZINC001172895396 1033461474 /nfs/dbraw/zinc/46/14/74/1033461474.db2.gz CLNCAZNUMONDCA-BBRMVZONSA-N 1 0 311.385 3.588 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1cccs1)CC2 ZINC001172896069 1033462640 /nfs/dbraw/zinc/46/26/40/1033462640.db2.gz LHQNQMQVYZTZNA-HNNXBMFYSA-N 1 0 316.426 3.736 20 5 DHBDRO C[N@H+](CC1CC(F)(F)C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172917628 1033464840 /nfs/dbraw/zinc/46/48/40/1033464840.db2.gz WDMUUWQCPIJRPC-OAHLLOKOSA-N 1 0 324.371 3.819 20 5 DHBDRO C[N@H+](CC1CCCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921803 1033469970 /nfs/dbraw/zinc/46/99/70/1033469970.db2.gz UBADTACTPARCPY-KRWDZBQOSA-N 1 0 302.418 3.964 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000478491875 1033495962 /nfs/dbraw/zinc/49/59/62/1033495962.db2.gz TUFZVGXDAWQHFG-BRWVUGGUSA-N 1 0 318.417 3.588 20 5 DHBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152129737 1033503980 /nfs/dbraw/zinc/50/39/80/1033503980.db2.gz HZORHTAEZCCMAA-PWSUYJOCSA-N 1 0 317.389 3.790 20 5 DHBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152129648 1033506055 /nfs/dbraw/zinc/50/60/55/1033506055.db2.gz HZORHTAEZCCMAA-ZYHUDNBSSA-N 1 0 317.389 3.790 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000927069563 1033515369 /nfs/dbraw/zinc/51/53/69/1033515369.db2.gz WWWIVPANBVEALJ-GUYCJALGSA-N 1 0 316.405 3.685 20 5 DHBDRO CC(C)C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000877966934 1033535309 /nfs/dbraw/zinc/53/53/09/1033535309.db2.gz ZOAMQWVQRUGSBO-UHFFFAOYSA-N 1 0 318.377 3.511 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCC(C)CC2)c1F ZINC001173174867 1033580500 /nfs/dbraw/zinc/58/05/00/1033580500.db2.gz DXXVGQUHFPSNKO-CPCZMJQVSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC[C@@H](C)C2)c1F ZINC001173181795 1033583116 /nfs/dbraw/zinc/58/31/16/1033583116.db2.gz PVANRUZOZKPSFH-OLZOCXBDSA-N 1 0 324.396 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(C)(C)CC2)c1F ZINC001173187620 1033583533 /nfs/dbraw/zinc/58/35/33/1033583533.db2.gz BCANQHPJBHOCQN-LBPRGKRZSA-N 1 0 324.396 3.796 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ncccc1C ZINC001173215368 1033598003 /nfs/dbraw/zinc/59/80/03/1033598003.db2.gz VNRFJLMVZSNLMS-RHSMWYFYSA-N 1 0 313.401 3.970 20 5 DHBDRO Cc1c(F)cccc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217939 1033598058 /nfs/dbraw/zinc/59/80/58/1033598058.db2.gz NJZZFCSQVQYQTH-GFCCVEGCSA-N 1 0 302.349 3.763 20 5 DHBDRO Cc1ccc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001173215709 1033598197 /nfs/dbraw/zinc/59/81/97/1033598197.db2.gz YUQKDADPQXQJPK-MRXNPFEDSA-N 1 0 312.413 3.975 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2ccncc21 ZINC001173219917 1033599604 /nfs/dbraw/zinc/59/96/04/1033599604.db2.gz RBNHKIQSTQYHNV-CQSZACIVSA-N 1 0 321.380 3.864 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(F)c1F ZINC001173218869 1033600376 /nfs/dbraw/zinc/60/03/76/1033600376.db2.gz RYLQFAWIGZZELU-LBPRGKRZSA-N 1 0 320.339 3.902 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c1cccc2O ZINC001173225412 1033603600 /nfs/dbraw/zinc/60/36/00/1033603600.db2.gz JVIWVZHHFIYQNT-SJKOYZFVSA-N 1 0 312.369 3.509 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC001173231381 1033605268 /nfs/dbraw/zinc/60/52/68/1033605268.db2.gz BYJCYMIIEDHRPR-HNNXBMFYSA-N 1 0 318.417 3.561 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)c(F)c1F ZINC001173212603 1033614693 /nfs/dbraw/zinc/61/46/93/1033614693.db2.gz BIFWELAWBIKSEV-SNVBAGLBSA-N 1 0 324.302 3.733 20 5 DHBDRO Cc1ccc(F)cc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212570 1033614852 /nfs/dbraw/zinc/61/48/52/1033614852.db2.gz AZEAFNQBPBCVLX-CYBMUJFWSA-N 1 0 302.349 3.763 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000878371694 1033679211 /nfs/dbraw/zinc/67/92/11/1033679211.db2.gz OKZKMULQQUTGOF-HIFRSBDPSA-N 1 0 304.390 3.656 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(C(F)F)CC1)C1CC1 ZINC000479441325 1033756081 /nfs/dbraw/zinc/75/60/81/1033756081.db2.gz AZHFOTLRFJTVFT-ZDUSSCGKSA-N 1 0 310.344 3.551 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000878659540 1033787511 /nfs/dbraw/zinc/78/75/11/1033787511.db2.gz DOYGAAMWCCVJHD-GXTWGEPZSA-N 1 0 306.406 3.839 20 5 DHBDRO COc1ccc(C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000479570616 1033810512 /nfs/dbraw/zinc/81/05/12/1033810512.db2.gz PZJFEDSBLDAXDD-ZFWWWQNUSA-N 1 0 304.390 3.685 20 5 DHBDRO C[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)(C)C ZINC000878768258 1033824532 /nfs/dbraw/zinc/82/45/32/1033824532.db2.gz DCAQZVMIHIJJHD-UHFFFAOYSA-N 1 0 324.768 3.529 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000479857105 1033920737 /nfs/dbraw/zinc/92/07/37/1033920737.db2.gz ARFKKQWXPGHDAA-OAHLLOKOSA-N 1 0 319.449 3.818 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667824 1034081319 /nfs/dbraw/zinc/08/13/19/1034081319.db2.gz UCYNDKDTZZKFMW-VXGBXAGGSA-N 1 0 300.280 3.582 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000178649145 1034256103 /nfs/dbraw/zinc/25/61/03/1034256103.db2.gz WVPNZKQWIJNVES-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000880320470 1034296115 /nfs/dbraw/zinc/29/61/15/1034296115.db2.gz TUXYVZXFICFQJJ-NSHDSACASA-N 1 0 323.805 3.694 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880319658 1034296346 /nfs/dbraw/zinc/29/63/46/1034296346.db2.gz IFYUWWKOHPKTSL-OLZOCXBDSA-N 1 0 317.414 3.910 20 5 DHBDRO CCS[C@@H]1CCCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000481017637 1034552483 /nfs/dbraw/zinc/55/24/83/1034552483.db2.gz RGSCUWYZOKERGD-MRXNPFEDSA-N 1 0 324.446 3.581 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192852033 1034709905 /nfs/dbraw/zinc/70/99/05/1034709905.db2.gz OPMRAISCXKUBPN-SJKOYZFVSA-N 1 0 316.405 3.829 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000777438762 1034741760 /nfs/dbraw/zinc/74/17/60/1034741760.db2.gz DHAAOVAMASMMPF-INIZCTEOSA-N 1 0 324.808 3.639 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)s1 ZINC000600188315 1034789407 /nfs/dbraw/zinc/78/94/07/1034789407.db2.gz AANLFRNOLDTNNT-TXEJJXNPSA-N 1 0 300.383 3.775 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000555720957 1034875140 /nfs/dbraw/zinc/87/51/40/1034875140.db2.gz BLMYKAZIUQMOAA-GJZGRUSLSA-N 1 0 304.390 3.614 20 5 DHBDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000482574743 1035138079 /nfs/dbraw/zinc/13/80/79/1035138079.db2.gz GHLZZICUEXSDCX-SFHVURJKSA-N 1 0 314.360 3.898 20 5 DHBDRO C[C@@H]([NH2+][C@H]1C[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001176029884 1035187656 /nfs/dbraw/zinc/18/76/56/1035187656.db2.gz WSFLJIKGKVNYRQ-LQAWEQHXSA-N 1 0 300.333 3.941 20 5 DHBDRO CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482947472 1035204354 /nfs/dbraw/zinc/20/43/54/1035204354.db2.gz KGSNXVDEYXTLQE-NVXWUHKLSA-N 1 0 319.449 3.818 20 5 DHBDRO COC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCC1 ZINC000483174518 1035235582 /nfs/dbraw/zinc/23/55/82/1035235582.db2.gz GAZHFNCHSGMEKY-UHFFFAOYSA-N 1 0 304.390 3.518 20 5 DHBDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000483242730 1035244136 /nfs/dbraw/zinc/24/41/36/1035244136.db2.gz CFWRHEAMLCUVPJ-GFCCVEGCSA-N 1 0 316.405 3.729 20 5 DHBDRO CC[NH+](CC)C[C@@H](C)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001177733860 1035390327 /nfs/dbraw/zinc/39/03/27/1035390327.db2.gz VGVUIZUGTMZKNS-CQSZACIVSA-N 1 0 307.438 3.538 20 5 DHBDRO Cc1c(C[NH2+]C[C@H](c2cccnc2)C(C)C)cccc1[N+](=O)[O-] ZINC001177942852 1035401756 /nfs/dbraw/zinc/40/17/56/1035401756.db2.gz HSBAMUUFLOJVDD-KRWDZBQOSA-N 1 0 313.401 3.828 20 5 DHBDRO CO[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001179243524 1035471050 /nfs/dbraw/zinc/47/10/50/1035471050.db2.gz QDGADGJZAZDFGG-BLSFAOBESA-N 1 0 318.417 3.793 20 5 DHBDRO CO[C@](C)(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CC1 ZINC001180177946 1035605646 /nfs/dbraw/zinc/60/56/46/1035605646.db2.gz JFTLBZMEQNDAFM-QGZVFWFLSA-N 1 0 306.406 3.620 20 5 DHBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001193664346 1035701606 /nfs/dbraw/zinc/70/16/06/1035701606.db2.gz YEXVTTSXZCXVAV-UONOGXRCSA-N 1 0 306.406 3.778 20 5 DHBDRO C[C@@H](C1CCCCC1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001193808516 1035744034 /nfs/dbraw/zinc/74/40/34/1035744034.db2.gz VIHJZKQZRHQZRP-AWEZNQCLSA-N 1 0 306.406 3.874 20 5 DHBDRO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC(C)C ZINC000089885683 1035763832 /nfs/dbraw/zinc/76/38/32/1035763832.db2.gz OLSBLLQDBSELIE-UHFFFAOYSA-N 1 0 303.362 3.728 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494705576 1035772141 /nfs/dbraw/zinc/77/21/41/1035772141.db2.gz XKWCTTWERMYXRU-CXAGYDPISA-N 1 0 304.390 3.547 20 5 DHBDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001194191566 1035867922 /nfs/dbraw/zinc/86/79/22/1035867922.db2.gz MXWIPGOONZEGEQ-JKSUJKDBSA-N 1 0 324.396 3.807 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000485707590 1035883288 /nfs/dbraw/zinc/88/32/88/1035883288.db2.gz KKLBEQVHBKYBSK-GJZGRUSLSA-N 1 0 304.390 3.758 20 5 DHBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000539826818 1035886532 /nfs/dbraw/zinc/88/65/32/1035886532.db2.gz ZKSBCIAYXQQCLG-AWEZNQCLSA-N 1 0 318.398 3.544 20 5 DHBDRO COc1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000485697999 1035888691 /nfs/dbraw/zinc/88/86/91/1035888691.db2.gz UKQPBCUSLSFNOT-UHFFFAOYSA-N 1 0 324.739 3.686 20 5 DHBDRO COC(C)(C)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000539927153 1035933543 /nfs/dbraw/zinc/93/35/43/1035933543.db2.gz JHHOJJUQPFUTSY-UHFFFAOYSA-N 1 0 318.373 3.712 20 5 DHBDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001181574656 1035942107 /nfs/dbraw/zinc/94/21/07/1035942107.db2.gz BFJRHMGOYJDHOM-GFCCVEGCSA-N 1 0 302.296 3.892 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCOC2CCCCC2)cccc1[N+](=O)[O-] ZINC000540171811 1035992749 /nfs/dbraw/zinc/99/27/49/1035992749.db2.gz AZRVPJSKLSNQOQ-CQSZACIVSA-N 1 0 306.406 3.903 20 5 DHBDRO Cc1ccccc1OCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540189533 1035998032 /nfs/dbraw/zinc/99/80/32/1035998032.db2.gz BADMTGCGUMVNOK-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000152911964 1036024688 /nfs/dbraw/zinc/02/46/88/1036024688.db2.gz WXUAQOKSOHRWMV-QGZVFWFLSA-N 1 0 304.390 3.518 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCCC(F)(F)C2)cc1 ZINC001181945799 1036054590 /nfs/dbraw/zinc/05/45/90/1036054590.db2.gz ONCRRAIVSUFECZ-CQSZACIVSA-N 1 0 312.360 3.943 20 5 DHBDRO CC(C)C[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1 ZINC000914566602 1036118656 /nfs/dbraw/zinc/11/86/56/1036118656.db2.gz DDNPUYIWQSSDGX-UHFFFAOYSA-N 1 0 321.402 3.950 20 5 DHBDRO Cc1ccc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001195256909 1036193349 /nfs/dbraw/zinc/19/33/49/1036193349.db2.gz DNBXAONBRDQTAW-UHFFFAOYSA-N 1 0 306.406 3.681 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](C/C=C/c2ccncc2)C2CC2)c1 ZINC000495067466 1036211994 /nfs/dbraw/zinc/21/19/94/1036211994.db2.gz OESUPFANTKUNPG-DUXPYHPUSA-N 1 0 309.369 3.668 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C/C=C\c2ccncc2)C2CC2)cc1 ZINC000495062299 1036215207 /nfs/dbraw/zinc/21/52/07/1036215207.db2.gz FBNRNEUZFSJRIR-UPHRSURJSA-N 1 0 309.369 3.668 20 5 DHBDRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774215058 1036245344 /nfs/dbraw/zinc/24/53/44/1036245344.db2.gz UTVKNQAPIOYNNP-JGGQBBKZSA-N 1 0 306.431 3.846 20 5 DHBDRO CC[C@@H](OCC[N+](C)(C)C)c1ccc(Br)cc1 ZINC001224775163 1036342952 /nfs/dbraw/zinc/34/29/52/1036342952.db2.gz JPWWSAJIARVOCU-CQSZACIVSA-N 1 0 301.248 3.623 20 5 DHBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775677962 1036410153 /nfs/dbraw/zinc/41/01/53/1036410153.db2.gz LKIZGJFCVRQTFY-COXVUDFISA-N 1 0 306.406 3.577 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000464770173 1036446832 /nfs/dbraw/zinc/44/68/32/1036446832.db2.gz FKZWSYVGCWKDEI-CJNGLKHVSA-N 1 0 324.446 3.580 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000464770174 1036446942 /nfs/dbraw/zinc/44/69/42/1036446942.db2.gz FKZWSYVGCWKDEI-CZUORRHYSA-N 1 0 324.446 3.580 20 5 DHBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000542053487 1036501619 /nfs/dbraw/zinc/50/16/19/1036501619.db2.gz URIMHSUVFAEPFD-AEGPPILISA-N 1 0 304.390 3.614 20 5 DHBDRO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000271745108 1036512247 /nfs/dbraw/zinc/51/22/47/1036512247.db2.gz DITISDSGSNHWPD-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO CCC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001183335169 1036575569 /nfs/dbraw/zinc/57/55/69/1036575569.db2.gz HNCZYTRUOCQOEN-LLVKDONJSA-N 1 0 321.204 3.542 20 5 DHBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000774625065 1036585150 /nfs/dbraw/zinc/58/51/50/1036585150.db2.gz OIEITSTXHLNXRQ-CXAGYDPISA-N 1 0 314.389 3.536 20 5 DHBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487213144 1036587834 /nfs/dbraw/zinc/58/78/34/1036587834.db2.gz XOOHPRWONJYXEQ-TVQRCGJNSA-N 1 0 302.296 3.892 20 5 DHBDRO CC[C@@H](C)C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774628354 1036594850 /nfs/dbraw/zinc/59/48/50/1036594850.db2.gz UIKWATOKDMYMNT-SNVBAGLBSA-N 1 0 310.785 3.533 20 5 DHBDRO C[C@@H](C[NH2+]Cc1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001203864274 1036658798 /nfs/dbraw/zinc/65/87/98/1036658798.db2.gz LCYKBCZEZHLJQE-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCOCC1 ZINC000271974004 1036815959 /nfs/dbraw/zinc/81/59/59/1036815959.db2.gz NPEZGZMENZTIPD-UONOGXRCSA-N 1 0 324.446 3.624 20 5 DHBDRO Cc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])s1 ZINC001184500618 1036871516 /nfs/dbraw/zinc/87/15/16/1036871516.db2.gz KQSCTSHMKVXYKO-CQSZACIVSA-N 1 0 319.430 3.550 20 5 DHBDRO C[NH+](C)C1(CNc2ccc(F)cc2[N+](=O)[O-])CCCCCC1 ZINC001184633952 1036900411 /nfs/dbraw/zinc/90/04/11/1036900411.db2.gz DRROYQCKWXSABM-UHFFFAOYSA-N 1 0 309.385 3.800 20 5 DHBDRO CCOc1cc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001184839584 1036961060 /nfs/dbraw/zinc/96/10/60/1036961060.db2.gz MAXXGZVVCRLRAV-UONOGXRCSA-N 1 0 321.421 3.526 20 5 DHBDRO CCOc1cc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001184839585 1036962888 /nfs/dbraw/zinc/96/28/88/1036962888.db2.gz MAXXGZVVCRLRAV-ZIAGYGMSSA-N 1 0 321.421 3.526 20 5 DHBDRO C[C@]12C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252319 1036985770 /nfs/dbraw/zinc/98/57/70/1036985770.db2.gz RBZCIZXFJMIQIB-CIRFHOKZSA-N 1 0 300.402 3.505 20 5 DHBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774831942 1037046823 /nfs/dbraw/zinc/04/68/23/1037046823.db2.gz FZVDHJKLLCUIEB-ZDUSSCGKSA-N 1 0 307.350 3.514 20 5 DHBDRO CC[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301087685 1037082355 /nfs/dbraw/zinc/08/23/55/1037082355.db2.gz YBVWNZWZXUMIFK-UHFFFAOYSA-N 1 0 317.311 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000774854542 1037104294 /nfs/dbraw/zinc/10/42/94/1037104294.db2.gz WQKZNRWRWWJOFW-OAHLLOKOSA-N 1 0 319.361 3.658 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001198751423 1037123867 /nfs/dbraw/zinc/12/38/67/1037123867.db2.gz DFKCBFYMAUZYCK-OAHLLOKOSA-N 1 0 324.808 3.687 20 5 DHBDRO CC(C)(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774871262 1037130881 /nfs/dbraw/zinc/13/08/81/1037130881.db2.gz XOVDTKNSQNPXKE-UHFFFAOYSA-N 1 0 321.377 3.761 20 5 DHBDRO CC(C)CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001185593224 1037189668 /nfs/dbraw/zinc/18/96/68/1037189668.db2.gz LNIVGQMQOHDSAP-UHFFFAOYSA-N 1 0 323.412 3.904 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000193903064 1037307694 /nfs/dbraw/zinc/30/76/94/1037307694.db2.gz IAWIKFPDNVXOPF-RYUDHWBXSA-N 1 0 315.329 3.915 20 5 DHBDRO COc1cc(C[N@H+](C)C[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000489206262 1037308440 /nfs/dbraw/zinc/30/84/40/1037308440.db2.gz NZOVOZXHRMPTEW-AWEZNQCLSA-N 1 0 314.385 3.839 20 5 DHBDRO CN(C)c1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761531126 1037348045 /nfs/dbraw/zinc/34/80/45/1037348045.db2.gz ABRBYCNFQGTKAI-UHFFFAOYSA-N 1 0 319.792 3.604 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2Cc3ccccc3C2)cc1Cl ZINC000761526487 1037348821 /nfs/dbraw/zinc/34/88/21/1037348821.db2.gz NGVYDOLYKVLPLW-UHFFFAOYSA-N 1 0 316.788 3.753 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000609234550 1037462276 /nfs/dbraw/zinc/46/22/76/1037462276.db2.gz URXXKOBTEJKUKB-SFHVURJKSA-N 1 0 312.369 3.558 20 5 DHBDRO COc1cc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000490093176 1037612532 /nfs/dbraw/zinc/61/25/32/1037612532.db2.gz XMDHOOOMNOHTDF-YUELXQCFSA-N 1 0 304.390 3.756 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125851176 1037973329 /nfs/dbraw/zinc/97/33/29/1037973329.db2.gz LXTLLSJXQJDQMC-CVEARBPZSA-N 1 0 319.449 3.674 20 5 DHBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000494503912 1038113486 /nfs/dbraw/zinc/11/34/86/1038113486.db2.gz HMFFPAQLTBXOBO-KDOFPFPSSA-N 1 0 314.385 3.769 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)C(C)(C)C ZINC000164537272 1038205870 /nfs/dbraw/zinc/20/58/70/1038205870.db2.gz PDUVHFKJXHGTLO-CYBMUJFWSA-N 1 0 321.421 3.598 20 5 DHBDRO C[C@H]1CCC[C@@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001190590205 1038349459 /nfs/dbraw/zinc/34/94/59/1038349459.db2.gz WOWUEVCRUYTVFV-GOEBONIOSA-N 1 0 306.406 3.874 20 5 DHBDRO C[C@H](CF)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000588930246 1038406619 /nfs/dbraw/zinc/40/66/19/1038406619.db2.gz BNKMWZHYHCVPMH-LLVKDONJSA-N 1 0 322.311 3.974 20 5 DHBDRO CC[C@H](C)[C@@H](C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001190911987 1038407629 /nfs/dbraw/zinc/40/76/29/1038407629.db2.gz AFPQGVUBKJXXKZ-UONOGXRCSA-N 1 0 306.406 3.873 20 5 DHBDRO C[C@@H]1CCC[N@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000589107414 1038432610 /nfs/dbraw/zinc/43/26/10/1038432610.db2.gz SNLZPLKPGZXLIU-LLVKDONJSA-N 1 0 313.348 3.676 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(C2CC2)s1 ZINC000589184925 1038445289 /nfs/dbraw/zinc/44/52/89/1038445289.db2.gz AYEDQBMKBXKAIL-UHFFFAOYSA-N 1 0 317.414 3.603 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000589192461 1038448003 /nfs/dbraw/zinc/44/80/03/1038448003.db2.gz CAXXHQPQAZVGGY-GPCFVJJQSA-N 1 0 309.369 3.840 20 5 DHBDRO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H](c1ccccc1)[NH+](C)C ZINC000589598058 1038521850 /nfs/dbraw/zinc/52/18/50/1038521850.db2.gz KSWMRCDPLRCHGF-XHDPSFHLSA-N 1 0 305.403 3.760 20 5 DHBDRO C[NH+](C)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000057139519 1038573924 /nfs/dbraw/zinc/57/39/24/1038573924.db2.gz MOXKIJORUCKQFT-HNNXBMFYSA-N 1 0 321.327 3.588 20 5 DHBDRO C[C@@H]1CC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000591348273 1038839150 /nfs/dbraw/zinc/83/91/50/1038839150.db2.gz JCVDIHHCBUBXHA-VFVRVIDISA-N 1 0 318.417 3.908 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC=CO2)o1 ZINC000780570163 1038924199 /nfs/dbraw/zinc/92/41/99/1038924199.db2.gz KXIJLSJUNAGRRI-CYBMUJFWSA-N 1 0 314.341 3.637 20 5 DHBDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000598996099 1038984500 /nfs/dbraw/zinc/98/45/00/1038984500.db2.gz BYGVOAVHFSOQHS-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO CC(C)c1ccc(CNC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994379 1038984561 /nfs/dbraw/zinc/98/45/61/1038984561.db2.gz LPZPJJBUMBOWGB-MRXNPFEDSA-N 1 0 319.449 3.540 20 5 DHBDRO C[C@@H](Nc1ccc2cnccc2c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000599050003 1039005999 /nfs/dbraw/zinc/00/59/99/1039005999.db2.gz IQKYVVPKFQILNL-GFCCVEGCSA-N 1 0 316.405 3.531 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599064141 1039019819 /nfs/dbraw/zinc/01/98/19/1039019819.db2.gz KHLGSEVHASXTMG-RDTXWAMCSA-N 1 0 317.433 3.652 20 5 DHBDRO O=[N+]([O-])c1ccc(NCCC[NH2+]C2CCCCC2)c(Cl)c1 ZINC000603503679 1039024726 /nfs/dbraw/zinc/02/47/26/1039024726.db2.gz VTDKRRUXUHGDTI-UHFFFAOYSA-N 1 0 311.813 3.973 20 5 DHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CC=CCC2)n1 ZINC000599073093 1039028667 /nfs/dbraw/zinc/02/86/67/1039028667.db2.gz KVMJYGIRKWVUMM-BZUAXINKSA-N 1 0 318.421 3.611 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000599075009 1039028821 /nfs/dbraw/zinc/02/88/21/1039028821.db2.gz ZNASPFKFWVYSRR-YOEHRIQHSA-N 1 0 317.433 3.571 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599074381 1039030888 /nfs/dbraw/zinc/03/08/88/1039030888.db2.gz RAXIEDOQRBZDOR-ROUUACIJSA-N 1 0 317.433 3.652 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593673950 1039033822 /nfs/dbraw/zinc/03/38/22/1039033822.db2.gz NKKKGEOQHJLTGE-HYXAFXHYSA-N 1 0 308.328 3.729 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593673947 1039035005 /nfs/dbraw/zinc/03/50/05/1039035005.db2.gz NKKKGEOQHJLTGE-HWKANZROSA-N 1 0 308.328 3.729 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592181776 1039162164 /nfs/dbraw/zinc/16/21/64/1039162164.db2.gz HUXBUABTYYJEOY-ZIAGYGMSSA-N 1 0 304.390 3.547 20 5 DHBDRO CC(C)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000603850742 1039184076 /nfs/dbraw/zinc/18/40/76/1039184076.db2.gz AEQASURLLGPOTF-GOSISDBHSA-N 1 0 314.385 3.961 20 5 DHBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000592380731 1039184584 /nfs/dbraw/zinc/18/45/84/1039184584.db2.gz QCWYMGRETHPOTF-BXUZGUMPSA-N 1 0 318.398 3.838 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000603860461 1039193941 /nfs/dbraw/zinc/19/39/41/1039193941.db2.gz BADZJUSZRNQMMK-OKILXGFUSA-N 1 0 323.412 3.904 20 5 DHBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000604012421 1039279900 /nfs/dbraw/zinc/27/99/00/1039279900.db2.gz CIDHBTFIFIZHNP-UHFFFAOYSA-N 1 0 320.414 3.947 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000604013231 1039280883 /nfs/dbraw/zinc/28/08/83/1039280883.db2.gz URWZRMBDNFQVDE-INIZCTEOSA-N 1 0 304.390 3.758 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157723922 1039408049 /nfs/dbraw/zinc/40/80/49/1039408049.db2.gz ZTMAEMCYXLUWRT-AEFFLSMTSA-N 1 0 317.433 3.510 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000592399031 1039432369 /nfs/dbraw/zinc/43/23/69/1039432369.db2.gz LXFNCWLSGCGBFZ-SDADXPQNSA-N 1 0 320.458 3.790 20 5 DHBDRO COC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000594502870 1039804002 /nfs/dbraw/zinc/80/40/02/1039804002.db2.gz RVJTZKRYJBXZJD-SJORKVTESA-N 1 0 312.369 3.559 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000168201139 1039807521 /nfs/dbraw/zinc/80/75/21/1039807521.db2.gz KRNBRSLHOXWLMQ-WDEREUQCSA-N 1 0 303.362 3.920 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594507488 1039808167 /nfs/dbraw/zinc/80/81/67/1039808167.db2.gz DJQGTXPVIOOWJG-VHSSKADRSA-N 1 0 318.417 3.902 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000594515558 1039821156 /nfs/dbraw/zinc/82/11/56/1039821156.db2.gz UKXQQVLLIUZFDQ-WCQYABFASA-N 1 0 322.405 3.532 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594517302 1039825147 /nfs/dbraw/zinc/82/51/47/1039825147.db2.gz APNZDCQXXZMHKB-QILLFSRXSA-N 1 0 317.433 3.571 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594520845 1039830034 /nfs/dbraw/zinc/83/00/34/1039830034.db2.gz QBQMQWLQIBLRTD-KMFMINBZSA-N 1 0 306.406 3.902 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCCCO1 ZINC000594520416 1039830886 /nfs/dbraw/zinc/83/08/86/1039830886.db2.gz PBLPNVXXTWBNSR-XOKHGSTOSA-N 1 0 306.406 3.902 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000168201998 1039834011 /nfs/dbraw/zinc/83/40/11/1039834011.db2.gz UGYHMDUEBNWQJN-WDEREUQCSA-N 1 0 303.362 3.920 20 5 DHBDRO Cc1ccncc1CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000594969565 1039945707 /nfs/dbraw/zinc/94/57/07/1039945707.db2.gz XHWUIRUIXKLCNE-UHFFFAOYSA-N 1 0 313.401 3.754 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594955774 1039962430 /nfs/dbraw/zinc/96/24/30/1039962430.db2.gz DOOHHFMAKXTERK-ZDUSSCGKSA-N 1 0 312.797 3.543 20 5 DHBDRO CCO[C@@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595010749 1039973459 /nfs/dbraw/zinc/97/34/59/1039973459.db2.gz FCSWNHVLIOXPIR-BBRMVZONSA-N 1 0 324.421 3.705 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000595022532 1039987747 /nfs/dbraw/zinc/98/77/47/1039987747.db2.gz MKMOGVFYUWJWLU-GHMZBOCLSA-N 1 0 314.332 3.832 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccccc1C ZINC000595004032 1040014674 /nfs/dbraw/zinc/01/46/74/1040014674.db2.gz MOXNIFFPXQOQTH-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO CCSCC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595029388 1040037274 /nfs/dbraw/zinc/03/72/74/1040037274.db2.gz XWXKFGZSAHTTQG-VXGBXAGGSA-N 1 0 312.435 3.786 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccncc1 ZINC000595029391 1040037388 /nfs/dbraw/zinc/03/73/88/1040037388.db2.gz XZSSURQOCFAMKB-MLGOLLRUSA-N 1 0 315.373 3.800 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC(C)(F)F ZINC000595039587 1040045867 /nfs/dbraw/zinc/04/58/67/1040045867.db2.gz TXPXGCBRTZEVRI-SNVBAGLBSA-N 1 0 302.321 3.689 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(SC)CCC1 ZINC000595046009 1040048181 /nfs/dbraw/zinc/04/81/81/1040048181.db2.gz COCODVZQTCYXDJ-LLVKDONJSA-N 1 0 310.419 3.540 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000595046910 1040051112 /nfs/dbraw/zinc/05/11/12/1040051112.db2.gz DDYHUMYHGOTLIV-IDKOKCKLSA-N 1 0 318.295 3.595 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000595104719 1040066425 /nfs/dbraw/zinc/06/64/25/1040066425.db2.gz SJCCDVDWJGEIBG-SUNYJGFJSA-N 1 0 314.385 3.676 20 5 DHBDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595102475 1040067726 /nfs/dbraw/zinc/06/77/26/1040067726.db2.gz INKCWYHGIWPJKC-BVGQSLNGSA-N 1 0 314.385 3.758 20 5 DHBDRO Cc1ccncc1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595075769 1040070419 /nfs/dbraw/zinc/07/04/19/1040070419.db2.gz YFOKDOXRCYNUDD-SFHVURJKSA-N 1 0 311.385 3.508 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595080168 1040072881 /nfs/dbraw/zinc/07/28/81/1040072881.db2.gz OEOOZQMETAFJHE-IINYFYTJSA-N 1 0 314.332 3.689 20 5 DHBDRO CC1(C)[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1(F)F ZINC000595091382 1040078423 /nfs/dbraw/zinc/07/84/23/1040078423.db2.gz HZYWDWQZLXGQHQ-KBPBESRZSA-N 1 0 310.344 3.853 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2C)c1[N+](=O)[O-] ZINC000595327690 1040100457 /nfs/dbraw/zinc/10/04/57/1040100457.db2.gz QLAKABYTJFVNND-OAHLLOKOSA-N 1 0 315.373 3.845 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000595327811 1040100718 /nfs/dbraw/zinc/10/07/18/1040100718.db2.gz SGESCYQOHABNGJ-INIZCTEOSA-N 1 0 322.380 3.658 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000595348923 1040105756 /nfs/dbraw/zinc/10/57/56/1040105756.db2.gz WMZCJRUHFLCPSJ-OAHLLOKOSA-N 1 0 315.373 3.845 20 5 DHBDRO Cc1noc(CN2C[C@H](C)CC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595482098 1040137938 /nfs/dbraw/zinc/13/79/38/1040137938.db2.gz HMOBUXUOCJMIAR-IUODEOHRSA-N 1 0 315.373 3.864 20 5 DHBDRO O=[N+]([O-])c1ccc(CN(Cc2cc(C3CC3)no2)C2CC2)cc1 ZINC000595404808 1040138103 /nfs/dbraw/zinc/13/81/03/1040138103.db2.gz ODPXUZNYVJOKMD-UHFFFAOYSA-N 1 0 313.357 3.625 20 5 DHBDRO CC[C@H](c1ccncc1)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595400781 1040139466 /nfs/dbraw/zinc/13/94/66/1040139466.db2.gz LMMCMDLITWTYBM-OAHLLOKOSA-N 1 0 303.337 3.712 20 5 DHBDRO CC[C@H](CC(F)F)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595478126 1040150449 /nfs/dbraw/zinc/15/04/49/1040150449.db2.gz XRURMONNYSQFNX-GFCCVEGCSA-N 1 0 300.349 3.751 20 5 DHBDRO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000595491300 1040152029 /nfs/dbraw/zinc/15/20/29/1040152029.db2.gz VFCYZBJMPSCCMI-AWEZNQCLSA-N 1 0 310.369 3.513 20 5 DHBDRO Cc1noc(C[N@@H+]2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595507088 1040156105 /nfs/dbraw/zinc/15/61/05/1040156105.db2.gz JVWOEXZJMKVCGG-ZLDLUXBVSA-N 1 0 315.373 3.658 20 5 DHBDRO Cc1noc(C[N@@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000595507086 1040156171 /nfs/dbraw/zinc/15/61/71/1040156171.db2.gz JVWOEXZJMKVCGG-OSAQELSMSA-N 1 0 315.373 3.658 20 5 DHBDRO Nc1cccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000595525190 1040160674 /nfs/dbraw/zinc/16/06/74/1040160674.db2.gz PMHKNDUFSKQQFF-INIZCTEOSA-N 1 0 311.385 3.557 20 5 DHBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063256038 1040166774 /nfs/dbraw/zinc/16/67/74/1040166774.db2.gz SUFHYIKHTVFRKH-UHFFFAOYSA-N 1 0 317.414 3.733 20 5 DHBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595638871 1040198812 /nfs/dbraw/zinc/19/88/12/1040198812.db2.gz MYLSILLXCXTHNE-NSHDSACASA-N 1 0 318.377 3.559 20 5 DHBDRO CCC(C)(C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595641204 1040210445 /nfs/dbraw/zinc/21/04/45/1040210445.db2.gz FDTIHWKASOZVLU-CYBMUJFWSA-N 1 0 321.421 3.646 20 5 DHBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595641244 1040211933 /nfs/dbraw/zinc/21/19/33/1040211933.db2.gz GEZBDYDGXLIWDH-NSHDSACASA-N 1 0 318.377 3.559 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CCCC2=O)CC1 ZINC000595820310 1040248076 /nfs/dbraw/zinc/24/80/76/1040248076.db2.gz VBDIUVDOWRMAFV-CQSZACIVSA-N 1 0 316.401 3.799 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595830128 1040266998 /nfs/dbraw/zinc/26/69/98/1040266998.db2.gz BAACLPXHTLUFST-KBXCAEBGSA-N 1 0 312.369 3.809 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000596065070 1040299903 /nfs/dbraw/zinc/29/99/03/1040299903.db2.gz BUEYHTAVTAKFHC-UHFFFAOYSA-N 1 0 311.332 3.571 20 5 DHBDRO Cc1ncc(-c2cccc(C[N@H+]3CCC[C@H]3C)c2)cc1[N+](=O)[O-] ZINC000596630360 1040529676 /nfs/dbraw/zinc/52/96/76/1040529676.db2.gz PWYGDDZUNSYXKO-CYBMUJFWSA-N 1 0 311.385 3.950 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000064114306 1040669326 /nfs/dbraw/zinc/66/93/26/1040669326.db2.gz PWIRZQOWPBZLKN-HNNXBMFYSA-N 1 0 321.352 3.822 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000601963006 1040844605 /nfs/dbraw/zinc/84/46/05/1040844605.db2.gz HYSFTDNZSTWDFN-KBPBESRZSA-N 1 0 311.385 3.608 20 5 DHBDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602519213 1041066370 /nfs/dbraw/zinc/06/63/70/1041066370.db2.gz VJIWHPHYRSHFDR-JTQLQIEISA-N 1 0 317.370 3.518 20 5 DHBDRO CC(C)(C)OCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602527104 1041089355 /nfs/dbraw/zinc/08/93/55/1041089355.db2.gz YMNVBMQSRIBIEL-UHFFFAOYSA-N 1 0 320.311 3.518 20 5 DHBDRO CSCCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602555679 1041097481 /nfs/dbraw/zinc/09/74/81/1041097481.db2.gz HOCJRIVDKKLEGH-UHFFFAOYSA-N 1 0 322.352 3.846 20 5 DHBDRO CC(C)(CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602677649 1041158814 /nfs/dbraw/zinc/15/88/14/1041158814.db2.gz XSNUYZBLYTZEOH-UHFFFAOYSA-N 1 0 303.362 3.652 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CC[C@@H]3c3ccccc3)nc2c1 ZINC000602716880 1041176328 /nfs/dbraw/zinc/17/63/28/1041176328.db2.gz KUWFHWMEFMNTBD-HUUCEWRRSA-N 1 0 323.352 3.772 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090728398 185311682 /nfs/dbraw/zinc/31/16/82/185311682.db2.gz KJGHTGSQDPRQCX-PWSUYJOCSA-N 1 0 317.389 3.962 20 5 DHBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090217915 334943989 /nfs/dbraw/zinc/94/39/89/334943989.db2.gz QEFKCUYFAOMLST-LXZKKBNFSA-N 1 0 306.406 3.697 20 5 DHBDRO Cc1ccc(C[NH+]2CCC(OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000092223092 193176617 /nfs/dbraw/zinc/17/66/17/193176617.db2.gz RDTBAJXZZDWXRF-UHFFFAOYSA-N 1 0 306.406 3.540 20 5 DHBDRO COCC1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000323775679 335036966 /nfs/dbraw/zinc/03/69/66/335036966.db2.gz YUKNZUFEYJBCEG-UHFFFAOYSA-N 1 0 315.373 3.680 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1cnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000040997571 183155178 /nfs/dbraw/zinc/15/51/78/183155178.db2.gz LKFDKIQAGBMBOR-OAHLLOKOSA-N 1 0 305.403 3.991 20 5 DHBDRO C[N@H+](CCCOc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000059403220 184138465 /nfs/dbraw/zinc/13/84/65/184138465.db2.gz LQHUNHDWGRGSAV-UHFFFAOYSA-N 1 0 314.385 3.538 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282187653 130906146 /nfs/dbraw/zinc/90/61/46/130906146.db2.gz WHZSDFHWAPLOGW-WMLDXEAASA-N 1 0 318.417 3.903 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCOCC3)CC2)ccc1Cl ZINC000284924277 131122121 /nfs/dbraw/zinc/12/21/21/131122121.db2.gz XWZOAEZUPJWDFN-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO C[N@H+](CCCCC(F)(F)F)CCc1ccccc1[N+](=O)[O-] ZINC000285462781 131170606 /nfs/dbraw/zinc/17/06/06/131170606.db2.gz ZJVXLSNCRHIHDR-UHFFFAOYSA-N 1 0 304.312 3.802 20 5 DHBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000287438273 131281189 /nfs/dbraw/zinc/28/11/89/131281189.db2.gz KXDNEGYESQOVQN-IGCXYCKISA-N 1 0 318.417 3.579 20 5 DHBDRO CCn1cc([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000296061417 131938492 /nfs/dbraw/zinc/93/84/92/131938492.db2.gz VWZNLWYOLDSOBK-SJCJKPOMSA-N 1 0 314.389 3.539 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163894731 132126081 /nfs/dbraw/zinc/12/60/81/132126081.db2.gz OXIRFKVUYYGCJG-LRDDRELGSA-N 1 0 302.378 3.520 20 5 DHBDRO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000473530266 429714958 /nfs/dbraw/zinc/71/49/58/429714958.db2.gz YWFVEYGQHPRDBI-GFCCVEGCSA-N 1 0 316.405 3.531 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000537987770 331485329 /nfs/dbraw/zinc/48/53/29/331485329.db2.gz RLFYLZFDQPLJQJ-MRXNPFEDSA-N 1 0 320.433 3.853 20 5 DHBDRO CCC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000090084272 331821841 /nfs/dbraw/zinc/82/18/41/331821841.db2.gz SSCRAIYJBXKCCM-CZUORRHYSA-N 1 0 308.422 3.823 20 5 DHBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)[NH+](C)C)cc1 ZINC000520065460 332063495 /nfs/dbraw/zinc/06/34/95/332063495.db2.gz CMPFNVDKOIZCCZ-GOSISDBHSA-N 1 0 313.401 3.926 20 5 DHBDRO Cc1cccc(OCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000537971961 332252910 /nfs/dbraw/zinc/25/29/10/332252910.db2.gz OKIFBGVBGNNFPB-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]CC3CCCCC3)c2c1 ZINC000561754602 332490419 /nfs/dbraw/zinc/49/04/19/332490419.db2.gz SARVXENGHVHYQV-UHFFFAOYSA-N 1 0 301.390 3.789 20 5 DHBDRO Cc1cc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000562779032 332625778 /nfs/dbraw/zinc/62/57/78/332625778.db2.gz CLTOGOJHGZDYPE-GFCCVEGCSA-N 1 0 306.387 3.694 20 5 DHBDRO Cc1cccnc1CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562789781 332626885 /nfs/dbraw/zinc/62/68/85/332626885.db2.gz YDZQYUMGFARQEA-OAHLLOKOSA-N 1 0 313.401 3.890 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000178110036 333001823 /nfs/dbraw/zinc/00/18/23/333001823.db2.gz UIWSLHYKBLEYKR-BBRMVZONSA-N 1 0 312.369 3.558 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000314069987 333085640 /nfs/dbraw/zinc/08/56/40/333085640.db2.gz SSYCSSRLIDMEQJ-GOEBONIOSA-N 1 0 307.438 3.530 20 5 DHBDRO CCC(CC)[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000314289398 333098689 /nfs/dbraw/zinc/09/86/89/333098689.db2.gz XIISTHCKZGQOQZ-DYVFJYSZSA-N 1 0 307.438 3.612 20 5 DHBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000518778719 333165476 /nfs/dbraw/zinc/16/54/76/333165476.db2.gz XKSYDAZWMVXZBS-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO COc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000525787621 333313575 /nfs/dbraw/zinc/31/35/75/333313575.db2.gz FUWIRZNOSSYMKD-BPLDGKMQSA-N 1 0 304.390 3.756 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1cccnc1OC)c1cccc([N+](=O)[O-])c1 ZINC000124525598 333494751 /nfs/dbraw/zinc/49/47/51/333494751.db2.gz QTMAVBFCVXDSQY-MRXNPFEDSA-N 1 0 315.373 3.629 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000411448732 333672090 /nfs/dbraw/zinc/67/20/90/333672090.db2.gz FJJQYJWZOKZOBE-ZTFRIQLXSA-N 1 0 300.333 3.941 20 5 DHBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411892663 333710469 /nfs/dbraw/zinc/71/04/69/333710469.db2.gz MVAHOFKEAJWLLN-PJSAGSTRSA-N 1 0 312.369 3.558 20 5 DHBDRO COC1([C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000414529284 334008898 /nfs/dbraw/zinc/00/88/98/334008898.db2.gz VIAWMCKOUSTKJS-ZDUSSCGKSA-N 1 0 306.406 3.765 20 5 DHBDRO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285327901 334146880 /nfs/dbraw/zinc/14/68/80/334146880.db2.gz UDNUTXRZFVEYDV-LLVKDONJSA-N 1 0 315.348 3.656 20 5 DHBDRO CCOCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292755251 334191934 /nfs/dbraw/zinc/19/19/34/334191934.db2.gz BKYSGQZWKYIUCU-UHFFFAOYSA-N 1 0 320.311 3.518 20 5 DHBDRO C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000388773367 334269990 /nfs/dbraw/zinc/26/99/90/334269990.db2.gz GFWUWAVVRHWXPO-KOLCDFICSA-N 1 0 317.311 3.508 20 5 DHBDRO CCn1nc(C)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1C ZINC000531964909 334319401 /nfs/dbraw/zinc/31/94/01/334319401.db2.gz JCLRPRBHIIAHPN-GFCCVEGCSA-N 1 0 316.405 3.587 20 5 DHBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534841851 334339447 /nfs/dbraw/zinc/33/94/47/334339447.db2.gz GAINNTTUHMWVAK-DOMZBBRYSA-N 1 0 315.373 3.870 20 5 DHBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000049530328 334345450 /nfs/dbraw/zinc/34/54/50/334345450.db2.gz UZVLFVRAFVVDDF-CQSZACIVSA-N 1 0 306.387 3.776 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cn(C(C)C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000341408453 334437156 /nfs/dbraw/zinc/43/71/56/334437156.db2.gz SFHGJROJUXHSKN-QGZVFWFLSA-N 1 0 316.405 3.922 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000341714495 334473154 /nfs/dbraw/zinc/47/31/54/334473154.db2.gz TWYLDTKWVZPEDZ-KRWDZBQOSA-N 1 0 314.360 3.944 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000341873192 334488684 /nfs/dbraw/zinc/48/86/84/334488684.db2.gz FPNRYMODZFFJEC-BHYGNILZSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@H]([NH2+][C@@H](CO)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000417372406 334764910 /nfs/dbraw/zinc/76/49/10/334764910.db2.gz VZHKXDSNGNVSKJ-XJKSGUPXSA-N 1 0 306.406 3.577 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccncc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188769111 334871950 /nfs/dbraw/zinc/87/19/50/334871950.db2.gz WOGWSSIFOGGNLC-LRDDRELGSA-N 1 0 315.373 3.800 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000344083886 335216521 /nfs/dbraw/zinc/21/65/21/335216521.db2.gz ZZPDABSFUFLORH-QGZVFWFLSA-N 1 0 314.385 3.887 20 5 DHBDRO CCC[C@@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000344313738 335240028 /nfs/dbraw/zinc/24/00/28/335240028.db2.gz ZODFBXCWWFYPQN-SJORKVTESA-N 1 0 320.433 3.823 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000344544274 335260387 /nfs/dbraw/zinc/26/03/87/335260387.db2.gz DYZXWXSEZLBTNE-UHFFFAOYSA-N 1 0 322.405 3.540 20 5 DHBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000345690024 335342029 /nfs/dbraw/zinc/34/20/29/335342029.db2.gz GJGJPJMWSYFEQB-BMIGLBTASA-N 1 0 324.377 3.661 20 5 DHBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000345700139 335343071 /nfs/dbraw/zinc/34/30/71/335343071.db2.gz JRAMHNOTRRHKIX-SJCJKPOMSA-N 1 0 318.348 3.600 20 5 DHBDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000345700144 335343252 /nfs/dbraw/zinc/34/32/52/335343252.db2.gz JRAMHNOTRRHKIX-SJKOYZFVSA-N 1 0 318.348 3.600 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000192466069 336035014 /nfs/dbraw/zinc/03/50/14/336035014.db2.gz WRYZQVQFKPTPHW-RYUDHWBXSA-N 1 0 314.341 3.735 20 5 DHBDRO COCC[C@H]1CCCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000332338741 336169050 /nfs/dbraw/zinc/16/90/50/336169050.db2.gz QMVVWIOVHSQNFN-LSDHHAIUSA-N 1 0 306.406 3.794 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000103471349 336240967 /nfs/dbraw/zinc/24/09/67/336240967.db2.gz DJSXPVPCIMUJLE-CQSZACIVSA-N 1 0 300.333 3.723 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC000532492294 336250438 /nfs/dbraw/zinc/25/04/38/336250438.db2.gz LSMXOJFWMVQYSV-HOTGVXAUSA-N 1 0 319.449 3.674 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301060756 336287841 /nfs/dbraw/zinc/28/78/41/336287841.db2.gz AZOJIJWFAAHTDU-UHFFFAOYSA-N 1 0 323.824 3.560 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000301062219 336287964 /nfs/dbraw/zinc/28/79/64/336287964.db2.gz UFYBXLOLVQPWMJ-GOSISDBHSA-N 1 0 311.385 3.844 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000301112677 336290600 /nfs/dbraw/zinc/29/06/00/336290600.db2.gz ZKIBQJPAJOSBRI-MRXNPFEDSA-N 1 0 321.327 3.588 20 5 DHBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000301131578 336291625 /nfs/dbraw/zinc/29/16/25/336291625.db2.gz ZIFYKBVACFBJKF-MRXNPFEDSA-N 1 0 317.433 3.543 20 5 DHBDRO C[C@H]([NH2+]C(C)(C)CNc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000301179396 336293607 /nfs/dbraw/zinc/29/36/07/336293607.db2.gz HEZFGDKGCNFWNB-ZDUSSCGKSA-N 1 0 314.389 3.531 20 5 DHBDRO Cc1cc(NC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301530723 336312815 /nfs/dbraw/zinc/31/28/15/336312815.db2.gz KYEJVJUTZJMZLT-UHFFFAOYSA-N 1 0 303.406 3.722 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000301542596 336313623 /nfs/dbraw/zinc/31/36/23/336313623.db2.gz OKDQVDOEUSBBSN-UHFFFAOYSA-N 1 0 307.369 3.553 20 5 DHBDRO Cc1cc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000302058278 336346115 /nfs/dbraw/zinc/34/61/15/336346115.db2.gz RMHVQGVPKOCZMR-HUUCEWRRSA-N 1 0 317.433 3.968 20 5 DHBDRO Cc1cc(N(C)Cc2ccc(O)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302674032 336364365 /nfs/dbraw/zinc/36/43/65/336364365.db2.gz SUTYYCDJGGYEQB-UHFFFAOYSA-N 1 0 323.352 3.793 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000320861176 336374794 /nfs/dbraw/zinc/37/47/94/336374794.db2.gz GJMAKMAEZFLMKU-IAGOWNOFSA-N 1 0 318.417 3.812 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352966404 336379913 /nfs/dbraw/zinc/37/99/13/336379913.db2.gz KNQZSFBQTLPTKM-HUUCEWRRSA-N 1 0 306.406 3.982 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000358023796 336607022 /nfs/dbraw/zinc/60/70/22/336607022.db2.gz XSGITPXCMXSDJJ-KRWDZBQOSA-N 1 0 300.358 3.844 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000358317915 336623796 /nfs/dbraw/zinc/62/37/96/336623796.db2.gz BAAMTDJLROVOGJ-INIZCTEOSA-N 1 0 312.369 3.907 20 5 DHBDRO CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361886900 336776782 /nfs/dbraw/zinc/77/67/82/336776782.db2.gz NNCLIGYSSIEERJ-DLBZAZTESA-N 1 0 308.422 3.823 20 5 DHBDRO CCCCOC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362456430 336798331 /nfs/dbraw/zinc/79/83/31/336798331.db2.gz VRWAAXLNEKSDAZ-CQSZACIVSA-N 1 0 306.406 3.937 20 5 DHBDRO Cc1nc2c(s1)CCC[C@@H]2C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000373576181 336965777 /nfs/dbraw/zinc/96/57/77/336965777.db2.gz XGIFAKISXCCJJZ-CYBMUJFWSA-N 1 0 317.414 3.569 20 5 DHBDRO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000305183214 337017960 /nfs/dbraw/zinc/01/79/60/337017960.db2.gz WPXCBPSTMXARNP-RDTXWAMCSA-N 1 0 314.385 3.759 20 5 DHBDRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000305183212 337017997 /nfs/dbraw/zinc/01/79/97/337017997.db2.gz WPXCBPSTMXARNP-KDOFPFPSSA-N 1 0 314.385 3.759 20 5 DHBDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000355127920 337027011 /nfs/dbraw/zinc/02/70/11/337027011.db2.gz TYMJAOMBYMGXSG-UHFFFAOYSA-N 1 0 315.398 3.746 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000123021177 337034131 /nfs/dbraw/zinc/03/41/31/337034131.db2.gz HPDPEWZEHOEVCH-SCLBCKFNSA-N 1 0 314.385 3.972 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583704106 337092445 /nfs/dbraw/zinc/09/24/45/337092445.db2.gz VEIMFVNKCNNICQ-ZMSDIMECSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178641169 337165735 /nfs/dbraw/zinc/16/57/35/337165735.db2.gz WJMRARNADQUZTO-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000180259656 337175557 /nfs/dbraw/zinc/17/55/57/337175557.db2.gz PMBFRDIAGUKFAJ-UKRRQHHQSA-N 1 0 322.405 3.603 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000321109227 337198781 /nfs/dbraw/zinc/19/87/81/337198781.db2.gz BAWNKVDWQMLWCJ-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000191684597 337300423 /nfs/dbraw/zinc/30/04/23/337300423.db2.gz OWSAPEIASOXHTF-UHFFFAOYSA-N 1 0 312.369 3.771 20 5 DHBDRO Cc1ccc(C[NH2+]CC(C)(C)c2ncccc2C)cc1[N+](=O)[O-] ZINC000583781912 337332569 /nfs/dbraw/zinc/33/25/69/337332569.db2.gz JFINDLOFWPXNEP-UHFFFAOYSA-N 1 0 313.401 3.674 20 5 DHBDRO COc1cccc(C[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000536861469 337746866 /nfs/dbraw/zinc/74/68/66/337746866.db2.gz CLAASQGRQOALKH-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000536861460 337746872 /nfs/dbraw/zinc/74/68/72/337746872.db2.gz CLAASQGRQOALKH-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000122134199 337908416 /nfs/dbraw/zinc/90/84/16/337908416.db2.gz YUKXDJGXNKEBDC-CYBMUJFWSA-N 1 0 309.369 3.969 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000123054972 337944094 /nfs/dbraw/zinc/94/40/94/337944094.db2.gz ZSUREKQYLADBMC-CHWSQXEVSA-N 1 0 300.358 3.582 20 5 DHBDRO CCC[C@H]([NH2+]CCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000315060993 337980354 /nfs/dbraw/zinc/98/03/54/337980354.db2.gz ZORFFPQJMWZQGK-KRWDZBQOSA-N 1 0 305.422 3.512 20 5 DHBDRO COCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000426351446 338028482 /nfs/dbraw/zinc/02/84/82/338028482.db2.gz LCKRGXOXAPENGA-ZBFHGGJFSA-N 1 0 320.433 3.568 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)co2)cc1 ZINC000426473122 338033177 /nfs/dbraw/zinc/03/31/77/338033177.db2.gz QNAQDRQHPIIIJQ-LRDDRELGSA-N 1 0 313.357 3.624 20 5 DHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000429673491 338086916 /nfs/dbraw/zinc/08/69/16/338086916.db2.gz RVWATJMGPYMXSD-JKSUJKDBSA-N 1 0 308.447 3.791 20 5 DHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429683095 338087275 /nfs/dbraw/zinc/08/72/75/338087275.db2.gz INMHHSYETVMPBI-HIFRSBDPSA-N 1 0 312.410 3.888 20 5 DHBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429768935 338089373 /nfs/dbraw/zinc/08/93/73/338089373.db2.gz QYPRZHITLPAOPM-WBMJQRKESA-N 1 0 315.373 3.918 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC([NH+]2CCCCC2)CC1 ZINC000432331058 338153213 /nfs/dbraw/zinc/15/32/13/338153213.db2.gz IPNZDCHYRAKKFE-UHFFFAOYSA-N 1 0 323.824 3.703 20 5 DHBDRO CC1(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000432820880 338169252 /nfs/dbraw/zinc/16/92/52/338169252.db2.gz HQWKLFAFWJKYFY-UHFFFAOYSA-N 1 0 304.390 3.628 20 5 DHBDRO CC(C)[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000433098664 338181732 /nfs/dbraw/zinc/18/17/32/338181732.db2.gz WMUOQTRYHSBDII-HOTGVXAUSA-N 1 0 320.433 3.702 20 5 DHBDRO CC[NH+](CC)C[C@@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163669 338183507 /nfs/dbraw/zinc/18/35/07/338183507.db2.gz CBTQTUBXLNLGCO-DYVFJYSZSA-N 1 0 319.449 3.637 20 5 DHBDRO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433272314 338188903 /nfs/dbraw/zinc/18/89/03/338188903.db2.gz HPAOMMLXDXHEOQ-BBRMVZONSA-N 1 0 320.433 3.704 20 5 DHBDRO CC(C)(C)C[C@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433298407 338190176 /nfs/dbraw/zinc/19/01/76/338190176.db2.gz OOQKXUVVWMICHO-WBMJQRKESA-N 1 0 320.433 3.704 20 5 DHBDRO Cc1cncc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433302550 338190471 /nfs/dbraw/zinc/19/04/71/338190471.db2.gz JCOATOPYVLYVTR-KRWDZBQOSA-N 1 0 311.385 3.810 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCS2)c2cc([N+](=O)[O-])ccc21 ZINC000433308472 338190993 /nfs/dbraw/zinc/19/09/93/338190993.db2.gz YEVRWFANUQKDQC-IUODEOHRSA-N 1 0 306.431 3.802 20 5 DHBDRO CC(C)[NH+](CCCNc1ncc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000434952019 338228163 /nfs/dbraw/zinc/22/81/63/338228163.db2.gz RPPLUDMNJWJSCR-UHFFFAOYSA-N 1 0 314.817 3.564 20 5 DHBDRO CC(C)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000435066932 338231584 /nfs/dbraw/zinc/23/15/84/338231584.db2.gz XDWMOAKVIZGHPO-ZDUSSCGKSA-N 1 0 317.389 3.994 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000435583693 338242811 /nfs/dbraw/zinc/24/28/11/338242811.db2.gz HRGKAHGPFIVCAO-OAHLLOKOSA-N 1 0 318.421 3.507 20 5 DHBDRO Cc1ccnc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000435593641 338243098 /nfs/dbraw/zinc/24/30/98/338243098.db2.gz RZYHRHTXYOUUBI-HNNXBMFYSA-N 1 0 318.421 3.507 20 5 DHBDRO C[C@@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000438121196 338333485 /nfs/dbraw/zinc/33/34/85/338333485.db2.gz YAJCAHXARNPGKI-ZDUSSCGKSA-N 1 0 314.360 3.896 20 5 DHBDRO CC(C)N(C)c1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000438325733 338339709 /nfs/dbraw/zinc/33/97/09/338339709.db2.gz JEJFRLXGNUNEQF-UHFFFAOYSA-N 1 0 313.401 3.729 20 5 DHBDRO COc1cc(C[N@@H+]2CCCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000438353673 338340818 /nfs/dbraw/zinc/34/08/18/338340818.db2.gz KITADUUFEGGLMX-UHFFFAOYSA-N 1 0 322.405 3.624 20 5 DHBDRO CCC1(C)CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446830994 338537316 /nfs/dbraw/zinc/53/73/16/338537316.db2.gz ZGKIBSVTFHFOQR-UHFFFAOYSA-N 1 0 316.405 3.920 20 5 DHBDRO CCCC[C@H](COC)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447546021 338555988 /nfs/dbraw/zinc/55/59/88/338555988.db2.gz ZRFWWQABPGOTNX-PBHICJAKSA-N 1 0 306.406 3.767 20 5 DHBDRO COC1CCC(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447585299 338559499 /nfs/dbraw/zinc/55/94/99/338559499.db2.gz ITPMVNJBCNEMBB-AUCFXJAVSA-N 1 0 318.417 3.767 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)COC3)CCC2 ZINC000447589341 338559839 /nfs/dbraw/zinc/55/98/39/338559839.db2.gz XNLSKLVZHYTMLJ-IBGZPJMESA-N 1 0 324.380 3.792 20 5 DHBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000447602697 338561764 /nfs/dbraw/zinc/56/17/64/338561764.db2.gz VIELOELMHWBUIK-LYYZXLFJSA-N 1 0 320.437 3.689 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOc1ccccc1 ZINC000449067352 338590031 /nfs/dbraw/zinc/59/00/31/338590031.db2.gz KTYHSXLQSIBQAP-HNNXBMFYSA-N 1 0 314.385 3.585 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000449195413 338601442 /nfs/dbraw/zinc/60/14/42/338601442.db2.gz WCHYHACKXFGUOS-HOCLYGCPSA-N 1 0 318.417 3.607 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1c(F)cncc1F ZINC000449319160 338612345 /nfs/dbraw/zinc/61/23/45/338612345.db2.gz JAUVHIIIHKYEAO-GHMZBOCLSA-N 1 0 321.327 3.550 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC1CCOCC1 ZINC000449355079 338617150 /nfs/dbraw/zinc/61/71/50/338617150.db2.gz VJHSVVGGRVPASI-QINSGFPZSA-N 1 0 318.417 3.795 20 5 DHBDRO CC1(F)CC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000449375647 338619082 /nfs/dbraw/zinc/61/90/82/338619082.db2.gz IHPCOLPCGKPAJO-BUTPEJBISA-N 1 0 306.381 3.786 20 5 DHBDRO CCc1cc(CCC[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)on1 ZINC000450684794 338699056 /nfs/dbraw/zinc/69/90/56/338699056.db2.gz RZTDQMMKQDUEQE-QGZVFWFLSA-N 1 0 317.389 3.819 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000450880640 338710214 /nfs/dbraw/zinc/71/02/14/338710214.db2.gz XMAZDHPDOCKSRI-UHFFFAOYSA-N 1 0 309.797 3.677 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000453107761 338794606 /nfs/dbraw/zinc/79/46/06/338794606.db2.gz LWMDKGGLSZNRDZ-CQSZACIVSA-N 1 0 306.387 3.906 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000453399608 338838168 /nfs/dbraw/zinc/83/81/68/338838168.db2.gz ANDZBAMWDFJFMB-ZIAGYGMSSA-N 1 0 306.406 3.759 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453405746 338839326 /nfs/dbraw/zinc/83/93/26/338839326.db2.gz FFPVNUMRPYHLOF-CJNGLKHVSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000453637455 338851683 /nfs/dbraw/zinc/85/16/83/338851683.db2.gz UXILCOAIBIVYLN-SJKOYZFVSA-N 1 0 320.389 3.520 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCc2cccc(Cl)c2)c1 ZINC000459447701 339029632 /nfs/dbraw/zinc/02/96/32/339029632.db2.gz GXSGTLJLJLGDCD-UHFFFAOYSA-N 1 0 304.777 3.623 20 5 DHBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459618788 339038726 /nfs/dbraw/zinc/03/87/26/339038726.db2.gz SZLPAJGPWQTQKP-BZNIZROVSA-N 1 0 302.378 3.530 20 5 DHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000459642986 339039918 /nfs/dbraw/zinc/03/99/18/339039918.db2.gz HPKMZYXTHNSOBS-XBXGTLAGSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1cc(N[C@H]2CCCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167386372 339053555 /nfs/dbraw/zinc/05/35/55/339053555.db2.gz XQVDQYKNDAVPLS-NSHDSACASA-N 1 0 303.387 3.759 20 5 DHBDRO COc1cc(NCC2([NH+](C)C)CCCCCC2)ccc1[N+](=O)[O-] ZINC000462088024 339072053 /nfs/dbraw/zinc/07/20/53/339072053.db2.gz BXTHORIPVHPQLL-UHFFFAOYSA-N 1 0 321.421 3.670 20 5 DHBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000463027218 339101253 /nfs/dbraw/zinc/10/12/53/339101253.db2.gz CVHBEXPHEJRIPD-DAXOMENPSA-N 1 0 306.406 3.838 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000463493449 339119569 /nfs/dbraw/zinc/11/95/69/339119569.db2.gz LJJWIVSKZOWCLO-AAEUAGOBSA-N 1 0 310.369 3.753 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000463493453 339119585 /nfs/dbraw/zinc/11/95/85/339119585.db2.gz LJJWIVSKZOWCLO-WCQYABFASA-N 1 0 310.369 3.753 20 5 DHBDRO Cc1oc2ccccc2c1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000463724663 339124667 /nfs/dbraw/zinc/12/46/67/339124667.db2.gz BYXKCRDCKKYXLQ-UHFFFAOYSA-N 1 0 310.353 3.982 20 5 DHBDRO COc1cc(C[NH+]2CCC3(CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000464676135 339148511 /nfs/dbraw/zinc/14/85/11/339148511.db2.gz FGRDGTAZXTVFMO-UHFFFAOYSA-N 1 0 322.380 3.899 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467835780 339247289 /nfs/dbraw/zinc/24/72/89/339247289.db2.gz YTVNYBRINDYHRD-LSDHHAIUSA-N 1 0 313.401 3.770 20 5 DHBDRO C[C@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467836860 339247308 /nfs/dbraw/zinc/24/73/08/339247308.db2.gz TUCXCLVKMDNFII-XHSDSOJGSA-N 1 0 319.449 3.613 20 5 DHBDRO CC(C)C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000467979593 339250318 /nfs/dbraw/zinc/25/03/18/339250318.db2.gz BPPZJYNRUGLQNE-KRWDZBQOSA-N 1 0 313.401 3.909 20 5 DHBDRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467997743 339250705 /nfs/dbraw/zinc/25/07/05/339250705.db2.gz FWMUFEIUPJOMLE-XIKOKIGWSA-N 1 0 314.360 3.800 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000468007727 339251081 /nfs/dbraw/zinc/25/10/81/339251081.db2.gz WGZZOHQPTGKLBC-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1ccncc1 ZINC000468553577 339266085 /nfs/dbraw/zinc/26/60/85/339266085.db2.gz LSMQSUCECARLME-HUUCEWRRSA-N 1 0 313.401 3.532 20 5 DHBDRO CCOCCC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468610465 339267041 /nfs/dbraw/zinc/26/70/41/339267041.db2.gz SJTDRAXHKBSYBD-PTNGSMBKSA-N 1 0 318.417 3.795 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCS1 ZINC000468612898 339267062 /nfs/dbraw/zinc/26/70/62/339267062.db2.gz SLXZKIUHYYUZQC-WQMJKPAKSA-N 1 0 306.431 3.873 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(O)cc1 ZINC000468641500 339267786 /nfs/dbraw/zinc/26/77/86/339267786.db2.gz DAOAYFVYYXUFFQ-KAMYIIQDSA-N 1 0 312.369 3.536 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000468646731 339267925 /nfs/dbraw/zinc/26/79/25/339267925.db2.gz YKPUWUZZFBWMDO-GIIHOQTISA-N 1 0 324.380 3.591 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000468648520 339268047 /nfs/dbraw/zinc/26/80/47/339268047.db2.gz QCYLLLUAFAYRIA-QGRJPZFESA-N 1 0 304.390 3.545 20 5 DHBDRO COCC[C@H]1CCCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000468692170 339268827 /nfs/dbraw/zinc/26/88/27/339268827.db2.gz ZZEZSZSFDZWVFN-YXMGTMDOSA-N 1 0 318.417 3.747 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CCO)CCCC1 ZINC000468733521 339269320 /nfs/dbraw/zinc/26/93/20/339269320.db2.gz LFAPTJAFUKWUNL-RVDMUPIBSA-N 1 0 318.417 3.531 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2c(c1)COC2 ZINC000468737295 339269618 /nfs/dbraw/zinc/26/96/18/339269618.db2.gz FFGPNVPHNFFWHN-VGOFMYFVSA-N 1 0 324.380 3.818 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000469078333 339279397 /nfs/dbraw/zinc/27/93/97/339279397.db2.gz SOHMBPMVTYFZGJ-MPYBMCPGSA-N 1 0 318.417 3.529 20 5 DHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000469775199 339298893 /nfs/dbraw/zinc/29/88/93/339298893.db2.gz KKJRYQCTLMJCSB-CZUORRHYSA-N 1 0 324.446 3.757 20 5 DHBDRO CCOC[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470174962 339312784 /nfs/dbraw/zinc/31/27/84/339312784.db2.gz OIAINSPEFDPKPC-OBHPCNEJSA-N 1 0 318.417 3.747 20 5 DHBDRO COC[C@H]1CCCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470209062 339314250 /nfs/dbraw/zinc/31/42/50/339314250.db2.gz XDWUXCRIXQEFPE-MJSCBBHESA-N 1 0 318.417 3.747 20 5 DHBDRO Cc1ccc2[nH]c(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2c1C ZINC000472061574 339361702 /nfs/dbraw/zinc/36/17/02/339361702.db2.gz FKKMCQNORPAXIW-UHFFFAOYSA-N 1 0 309.369 3.983 20 5 DHBDRO CC[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000477864688 339503203 /nfs/dbraw/zinc/50/32/03/339503203.db2.gz UWNONVWIOCZVIL-MSOLQXFVSA-N 1 0 320.433 3.967 20 5 DHBDRO COC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCC(C)CC1 ZINC000479484921 339537672 /nfs/dbraw/zinc/53/76/72/339537672.db2.gz AAYRUJYZSPLBMO-XOYHFGRZSA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccccc3)CCC2)c(F)c1 ZINC000479918636 339553349 /nfs/dbraw/zinc/55/33/49/339553349.db2.gz CQVFEHABUDFODZ-UHFFFAOYSA-N 1 0 300.333 3.903 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000480660835 339581774 /nfs/dbraw/zinc/58/17/74/339581774.db2.gz IYUGKAIFHNZGNF-GWCFXTLKSA-N 1 0 316.323 3.704 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000481722487 339611277 /nfs/dbraw/zinc/61/12/77/339611277.db2.gz ZVEJPTGKRPNVEG-NVXWUHKLSA-N 1 0 306.406 3.587 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000483714172 339672391 /nfs/dbraw/zinc/67/23/91/339672391.db2.gz UHRYTAWEPVELCF-XJKSGUPXSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000495416028 339983645 /nfs/dbraw/zinc/98/36/45/339983645.db2.gz WEUSWHSZTPQYIT-CZUORRHYSA-N 1 0 320.433 3.852 20 5 DHBDRO CC(C)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000498933992 340026501 /nfs/dbraw/zinc/02/65/01/340026501.db2.gz PESPWADCWHKZBG-KRWDZBQOSA-N 1 0 317.364 3.658 20 5 DHBDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000506994103 340204920 /nfs/dbraw/zinc/20/49/20/340204920.db2.gz CGSPSXKDQYKJNC-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO Cc1ccccc1[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000507181022 340211502 /nfs/dbraw/zinc/21/15/02/340211502.db2.gz MXGYNLUCTDSEQE-KRWDZBQOSA-N 1 0 310.397 3.935 20 5 DHBDRO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000402563213 340243081 /nfs/dbraw/zinc/24/30/81/340243081.db2.gz KZDAFPSRHPEDME-VIFPVBQESA-N 1 0 308.275 3.802 20 5 DHBDRO Cc1ccc(CNc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000508451373 340243949 /nfs/dbraw/zinc/24/39/49/340243949.db2.gz JUPRIHPMCFVOFZ-UHFFFAOYSA-N 1 0 322.368 3.760 20 5 DHBDRO COCC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000509949925 340283585 /nfs/dbraw/zinc/28/35/85/340283585.db2.gz UKSNDMVFNNKAGB-MNDMWVCDSA-N 1 0 306.406 3.649 20 5 DHBDRO COC[C@H](C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000510434725 340299219 /nfs/dbraw/zinc/29/92/19/340299219.db2.gz GBCQNVBJIXBXJF-LBPRGKRZSA-N 1 0 320.414 3.790 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000510933174 340315384 /nfs/dbraw/zinc/31/53/84/340315384.db2.gz MVJWFMAITDETOC-CJNGLKHVSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511081492 340320274 /nfs/dbraw/zinc/32/02/74/340320274.db2.gz NPPJFICVILRWRU-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1F ZINC000511124024 340321506 /nfs/dbraw/zinc/32/15/06/340321506.db2.gz KDTZHVYTICYOCH-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCC(F)(F)C1 ZINC000511145639 340322312 /nfs/dbraw/zinc/32/23/12/340322312.db2.gz WNUIITSIWDQOKV-ZDUSSCGKSA-N 1 0 312.360 3.895 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]C/C=C/c2ccc(F)c(F)c2)c1 ZINC000512050364 340346751 /nfs/dbraw/zinc/34/67/51/340346751.db2.gz BVSPYTPKGRRLBN-DUXPYHPUSA-N 1 0 318.323 3.719 20 5 DHBDRO COc1ccc(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173341383 340362861 /nfs/dbraw/zinc/36/28/61/340362861.db2.gz ANDLGFTUEBCJAD-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO COc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000173380975 340363818 /nfs/dbraw/zinc/36/38/18/340363818.db2.gz IAMLMMPRDDFCAI-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO C[C@H](N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173453376 340365380 /nfs/dbraw/zinc/36/53/80/340365380.db2.gz UIWWGICLQYDETC-YOEHRIQHSA-N 1 0 317.433 3.510 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(C(F)(F)F)CCC1 ZINC000512977346 340386569 /nfs/dbraw/zinc/38/65/69/340386569.db2.gz KHCITLPPZSPROP-UHFFFAOYSA-N 1 0 302.296 3.725 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000516631719 340425399 /nfs/dbraw/zinc/42/53/99/340425399.db2.gz XLKYPWDIZWMCRI-AHIWAGSCSA-N 1 0 306.406 3.757 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000183421587 340487864 /nfs/dbraw/zinc/48/78/64/340487864.db2.gz LDVHHWVGOSPFNT-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000521578717 340525400 /nfs/dbraw/zinc/52/54/00/340525400.db2.gz MMBSZMGEWJAWMJ-AWEZNQCLSA-N 1 0 313.401 3.927 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000194083955 340588835 /nfs/dbraw/zinc/58/88/35/340588835.db2.gz NEBDWPOOIFBHPX-UHFFFAOYSA-N 1 0 309.797 3.535 20 5 DHBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCCC1 ZINC000037999259 340788914 /nfs/dbraw/zinc/78/89/14/340788914.db2.gz HPYKPJJRMDSKOH-GFCCVEGCSA-N 1 0 311.813 3.782 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)SC ZINC000537952391 340792926 /nfs/dbraw/zinc/79/29/26/340792926.db2.gz CRVZSUNBLSRVTP-VXGBXAGGSA-N 1 0 314.476 3.807 20 5 DHBDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539299620 340879942 /nfs/dbraw/zinc/87/99/42/340879942.db2.gz RCIFYEGMCABWLR-BLLLJJGKSA-N 1 0 312.369 3.942 20 5 DHBDRO CSC[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130246073 341008352 /nfs/dbraw/zinc/00/83/52/341008352.db2.gz LFLVONGAZCLSEM-GUTXKFCHSA-N 1 0 308.447 3.647 20 5 DHBDRO CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000564258949 341019547 /nfs/dbraw/zinc/01/95/47/341019547.db2.gz JDOFEUNWPWKVNM-GJZGRUSLSA-N 1 0 320.437 3.835 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000544432613 341081923 /nfs/dbraw/zinc/08/19/23/341081923.db2.gz KNORAMUQEWZKRE-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO CCC(CC)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000546165463 341155520 /nfs/dbraw/zinc/15/55/20/341155520.db2.gz GVXNHBDALPBWLF-ZDUSSCGKSA-N 1 0 322.405 3.533 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000237287036 341210602 /nfs/dbraw/zinc/21/06/02/341210602.db2.gz VVNJMVLWWKGPAK-UHFFFAOYSA-N 1 0 304.346 3.752 20 5 DHBDRO COc1cccc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549172130 341287923 /nfs/dbraw/zinc/28/79/23/341287923.db2.gz RJBPRYONHXADCN-CQSZACIVSA-N 1 0 314.385 3.839 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245572480 341302931 /nfs/dbraw/zinc/30/29/31/341302931.db2.gz CKEAKOGEOUVQAA-XFMPKHEZSA-N 1 0 322.405 3.600 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCC(F)(F)C2)C2CC2)cc1 ZINC000551094321 341331463 /nfs/dbraw/zinc/33/14/63/341331463.db2.gz XYOGIUQVWDMZQC-ZDUSSCGKSA-N 1 0 310.344 3.995 20 5 DHBDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000089512005 341405251 /nfs/dbraw/zinc/40/52/51/341405251.db2.gz JZBITHHYGFDSCI-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO COCc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000158533758 341658752 /nfs/dbraw/zinc/65/87/52/341658752.db2.gz VNYUFVDZDQBNQM-CQSZACIVSA-N 1 0 314.385 3.900 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)cc1 ZINC000568328215 341665440 /nfs/dbraw/zinc/66/54/40/341665440.db2.gz LBZOQHCNKTZPCO-UHFFFAOYSA-N 1 0 318.323 3.909 20 5 DHBDRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000573254339 341722512 /nfs/dbraw/zinc/72/25/12/341722512.db2.gz ALEAAOGKAAQCTL-BBRMVZONSA-N 1 0 312.369 3.558 20 5 DHBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000573550933 341731656 /nfs/dbraw/zinc/73/16/56/341731656.db2.gz JNZGRLPJQSCEQS-PVUWLOKVSA-N 1 0 304.390 3.519 20 5 DHBDRO Cc1ccc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000576341123 341841288 /nfs/dbraw/zinc/84/12/88/341841288.db2.gz VUSBUUCLDRJRRH-KRWDZBQOSA-N 1 0 300.358 3.706 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000577070489 341883485 /nfs/dbraw/zinc/88/34/85/341883485.db2.gz PGRXDKBUEMVKHI-ZDUSSCGKSA-N 1 0 311.385 3.638 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCCC1(F)F ZINC000577077561 341883991 /nfs/dbraw/zinc/88/39/91/341883991.db2.gz QMDGUIXTWAVRLU-SMDDNHRTSA-N 1 0 310.344 3.997 20 5 DHBDRO COc1cc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000577525180 341915648 /nfs/dbraw/zinc/91/56/48/341915648.db2.gz GRGFCMWUWWKBSR-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccc(C)n1 ZINC000355222033 517306846 /nfs/dbraw/zinc/30/68/46/517306846.db2.gz NPMXWTPGUVTEPN-SDNWHVSQSA-N 1 0 311.385 3.534 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000339457047 519836289 /nfs/dbraw/zinc/83/62/89/519836289.db2.gz BQFLWDVEDCQUEN-GFCCVEGCSA-N 1 0 315.373 3.670 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000156772815 521176528 /nfs/dbraw/zinc/17/65/28/521176528.db2.gz HDFJJLSGAGZDBJ-COXVUDFISA-N 1 0 306.406 3.983 20 5 DHBDRO CCOC1CC(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000189262709 521645632 /nfs/dbraw/zinc/64/56/32/521645632.db2.gz PESHRUZHWUITEZ-NFOMZHRRSA-N 1 0 306.406 3.759 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000248881219 522753556 /nfs/dbraw/zinc/75/35/56/522753556.db2.gz KTJNRWMMCPZPRN-ULQDDVLXSA-N 1 0 304.390 3.519 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000156989320 522858074 /nfs/dbraw/zinc/85/80/74/522858074.db2.gz ZQLXYNOWUGXNNL-GDBMZVCRSA-N 1 0 320.414 3.605 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000134795011 522930924 /nfs/dbraw/zinc/93/09/24/522930924.db2.gz NNFAIGJFRIGYQR-HZMVEIRTSA-N 1 0 316.401 3.593 20 5 DHBDRO COc1ccc(C[NH2+]C(C)(C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000124678930 524068981 /nfs/dbraw/zinc/06/89/81/524068981.db2.gz SSLVTRCUMIPWBQ-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000193285233 524753639 /nfs/dbraw/zinc/75/36/39/524753639.db2.gz HWHPGCPJMACFKL-NHYWBVRUSA-N 1 0 317.414 3.822 20 5 DHBDRO Cc1cc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000182765588 525518794 /nfs/dbraw/zinc/51/87/94/525518794.db2.gz HRXCAJOXGWQECB-MEDUHNTESA-N 1 0 320.414 3.657 20 5 DHBDRO C[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000337187782 525552297 /nfs/dbraw/zinc/55/22/97/525552297.db2.gz QJTXXGLJTVSNMG-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000124509942 525601858 /nfs/dbraw/zinc/60/18/58/525601858.db2.gz NIWVUKZRDNCMDE-PEBVRCNWSA-N 1 0 318.348 3.507 20 5 DHBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000130690237 525782598 /nfs/dbraw/zinc/78/25/98/525782598.db2.gz ALXBZHWSNQNHHM-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCOC3)s2)cc1 ZINC000237989944 527343107 /nfs/dbraw/zinc/34/31/07/527343107.db2.gz KWZJQWJQDYMBPT-CYBMUJFWSA-N 1 0 318.398 3.592 20 5 DHBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278715026 535271210 /nfs/dbraw/zinc/27/12/10/535271210.db2.gz LXQLLAWQLPCZSV-QGTPRVQTSA-N 1 0 318.417 3.765 20 5 DHBDRO CC(C)(O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000274730248 535293153 /nfs/dbraw/zinc/29/31/53/535293153.db2.gz GZMFUXQYONVIMR-UHFFFAOYSA-N 1 0 320.414 3.574 20 5 DHBDRO CCCN(CC)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000725263853 563570170 /nfs/dbraw/zinc/57/01/70/563570170.db2.gz RCYCCNAJUPBMQB-UHFFFAOYSA-N 1 0 301.184 3.589 20 5 DHBDRO COc1ccc(C2([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000517757187 1013058717 /nfs/dbraw/zinc/05/87/17/1013058717.db2.gz OJAUYLWNWZEIRT-KRWDZBQOSA-N 1 0 324.380 3.870 20 5 DHBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000140067313 1013184114 /nfs/dbraw/zinc/18/41/14/1013184114.db2.gz KXGLICKVIISXAY-UHFFFAOYSA-N 1 0 304.777 3.923 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccs2)cc1[N+](=O)[O-] ZINC000152598900 1033531284 /nfs/dbraw/zinc/53/12/84/1033531284.db2.gz BRAJCNPJLVFVJK-LLVKDONJSA-N 1 0 306.387 3.906 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155127877 1013233274 /nfs/dbraw/zinc/23/32/74/1013233274.db2.gz AKRBPZGNDNHGJI-WDEREUQCSA-N 1 0 303.362 3.654 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCC1CCOCC1 ZINC000894659634 1013449607 /nfs/dbraw/zinc/44/96/07/1013449607.db2.gz XYQCHDXWLXZORU-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO Cc1cccnc1CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894714084 1013461799 /nfs/dbraw/zinc/46/17/99/1013461799.db2.gz BPYDBTGQZPFSKG-UHFFFAOYSA-N 1 0 319.792 3.674 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000336890496 1013483900 /nfs/dbraw/zinc/48/39/00/1013483900.db2.gz HJMSTFNOEVCCFN-RDJZCZTQSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000120878107 1013546774 /nfs/dbraw/zinc/54/67/74/1013546774.db2.gz XOKXOVVNVVUSEG-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000052873692 1013640084 /nfs/dbraw/zinc/64/00/84/1013640084.db2.gz UNHPTMVTFGSGLL-UHFFFAOYSA-N 1 0 320.389 3.616 20 5 DHBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)C(C)C ZINC000118833252 1013708962 /nfs/dbraw/zinc/70/89/62/1013708962.db2.gz MXQAPOMDPXKKRM-CQSZACIVSA-N 1 0 321.421 3.598 20 5 DHBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168463 1013781911 /nfs/dbraw/zinc/78/19/11/1013781911.db2.gz WHRIBPWQLLWVLB-RYUDHWBXSA-N 1 0 303.362 3.747 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000609195607 1013850023 /nfs/dbraw/zinc/85/00/23/1013850023.db2.gz RZFHFKTWGCHWFM-INIZCTEOSA-N 1 0 304.390 3.756 20 5 DHBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000340527816 1013918396 /nfs/dbraw/zinc/91/83/96/1013918396.db2.gz XZJZEQYYFJXMIF-STQMWFEESA-N 1 0 315.373 3.719 20 5 DHBDRO Cc1ccc([C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000319920785 1014278795 /nfs/dbraw/zinc/27/87/95/1014278795.db2.gz BQSAQRMLLZGHBV-HOTGVXAUSA-N 1 0 319.449 3.818 20 5 DHBDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000025942600 1014465201 /nfs/dbraw/zinc/46/52/01/1014465201.db2.gz NOOFFUZQHJEROU-CYBMUJFWSA-N 1 0 300.358 3.796 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000427984353 1014562126 /nfs/dbraw/zinc/56/21/26/1014562126.db2.gz MPVYORPVPWHPOJ-CVEARBPZSA-N 1 0 306.406 3.983 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000165636276 1014769177 /nfs/dbraw/zinc/76/91/77/1014769177.db2.gz YOGPSJPAWZVKLQ-OAHLLOKOSA-N 1 0 320.433 3.887 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOc1ccccc1F ZINC000537970293 1014943698 /nfs/dbraw/zinc/94/36/98/1014943698.db2.gz PMCOLCOYDDUQOL-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000348676008 1015093594 /nfs/dbraw/zinc/09/35/94/1015093594.db2.gz BTXTWXDTDPNHOY-OLZOCXBDSA-N 1 0 315.373 3.719 20 5 DHBDRO C=C/C=C/CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000895540327 1015196242 /nfs/dbraw/zinc/19/62/42/1015196242.db2.gz CMNAGXOGOXIIKB-ONEGZZNKSA-N 1 0 317.208 3.641 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895585929 1015213560 /nfs/dbraw/zinc/21/35/60/1015213560.db2.gz ZVWWJOBIELDJAY-CYBMUJFWSA-N 1 0 317.414 3.658 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000051180654 1015255115 /nfs/dbraw/zinc/25/51/15/1015255115.db2.gz ILDUWGZKNMYVID-MRXNPFEDSA-N 1 0 312.369 3.811 20 5 DHBDRO COc1ccc(C)cc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610538816 1015345160 /nfs/dbraw/zinc/34/51/60/1015345160.db2.gz YUORNCHELKUCNO-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1c([C@H]2CCC[N@H+]2[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000367336645 1015419205 /nfs/dbraw/zinc/41/92/05/1015419205.db2.gz WKFCDNREJGLJBM-SJKOYZFVSA-N 1 0 314.389 3.535 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000610550207 1015464695 /nfs/dbraw/zinc/46/46/95/1015464695.db2.gz NZDGLGWDNXGKKP-AWEZNQCLSA-N 1 0 323.462 3.749 20 5 DHBDRO COc1c(O)ccc(CN(C)[C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000891639904 1015475889 /nfs/dbraw/zinc/47/58/89/1015475889.db2.gz JUBAZBCAZDMWRU-JTQLQIEISA-N 1 0 322.386 3.564 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000178247905 1015512716 /nfs/dbraw/zinc/51/27/16/1015512716.db2.gz GJNRQDPXOIJJOQ-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581547 1015627331 /nfs/dbraw/zinc/62/73/31/1015627331.db2.gz SAZDPSXXUYQCOX-GFCCVEGCSA-N 1 0 303.362 3.747 20 5 DHBDRO C[C@H](c1ccccc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580877 1015629305 /nfs/dbraw/zinc/62/93/05/1015629305.db2.gz SGITVHRMFHEWHL-GFCCVEGCSA-N 1 0 311.341 3.929 20 5 DHBDRO CC(C)C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)C ZINC000610581264 1015629386 /nfs/dbraw/zinc/62/93/86/1015629386.db2.gz WNSMHXBTZCGOCV-UHFFFAOYSA-N 1 0 305.378 3.850 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3C3CCC3)nc2c1 ZINC000610581334 1015629745 /nfs/dbraw/zinc/62/97/45/1015629745.db2.gz AOAOEWZVJDKQPT-CQSZACIVSA-N 1 0 301.346 3.501 20 5 DHBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000610717405 1015740724 /nfs/dbraw/zinc/74/07/24/1015740724.db2.gz FTDNCJXIMZHYHF-UGAXZCSASA-N 1 0 318.417 3.793 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000277223135 1016080733 /nfs/dbraw/zinc/08/07/33/1016080733.db2.gz XWAAJISSLGNKCG-BXUZGUMPSA-N 1 0 310.344 3.693 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)ccc1Cl ZINC000846908853 1032144127 /nfs/dbraw/zinc/14/41/27/1032144127.db2.gz WTTCGMXLSWSTNJ-AWEZNQCLSA-N 1 0 317.776 3.633 20 5 DHBDRO Cc1c(C[N@H+](C)CCCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000071950589 1016269260 /nfs/dbraw/zinc/26/92/60/1016269260.db2.gz XRAXVOWZKXDKOY-UHFFFAOYSA-N 1 0 314.385 3.804 20 5 DHBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000071954211 1016278295 /nfs/dbraw/zinc/27/82/95/1016278295.db2.gz WASVFEWCECDWBE-NEPJUHHUSA-N 1 0 311.813 3.781 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000539218252 1016283157 /nfs/dbraw/zinc/28/31/57/1016283157.db2.gz UVXQOKSVZNOZGJ-GOSISDBHSA-N 1 0 312.369 3.715 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000294766801 1032146807 /nfs/dbraw/zinc/14/68/07/1032146807.db2.gz JVAJJOJDLUQKKH-UHFFFAOYSA-N 1 0 319.792 3.711 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000089513429 1032146942 /nfs/dbraw/zinc/14/69/42/1032146942.db2.gz ZQQKZHXNJBDMKO-KRWDZBQOSA-N 1 0 312.369 3.907 20 5 DHBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000281158363 1016387383 /nfs/dbraw/zinc/38/73/83/1016387383.db2.gz BIBGEKSUQDQKFG-OAHLLOKOSA-N 1 0 316.332 3.520 20 5 DHBDRO CCC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)(C)C ZINC000451435237 1016488214 /nfs/dbraw/zinc/48/82/14/1016488214.db2.gz JCLVTFPOBWZJHU-CQSZACIVSA-N 1 0 321.421 3.646 20 5 DHBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000051650474 1016694865 /nfs/dbraw/zinc/69/48/65/1016694865.db2.gz BCJVNCXYNFBALQ-MRXNPFEDSA-N 1 0 312.369 3.593 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1cccc(O)c1 ZINC000537606526 1032216742 /nfs/dbraw/zinc/21/67/42/1032216742.db2.gz OXXNGRIUFCDKDQ-ZDUSSCGKSA-N 1 0 300.358 3.802 20 5 DHBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC[C@H](C)C1 ZINC000362160754 1032254497 /nfs/dbraw/zinc/25/44/97/1032254497.db2.gz YMLDXURRYRPCIQ-BBRMVZONSA-N 1 0 306.406 3.540 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000035257711 1017075570 /nfs/dbraw/zinc/07/55/70/1017075570.db2.gz OIPBZUZWMTVZTC-RYUDHWBXSA-N 1 0 302.296 3.806 20 5 DHBDRO CSc1ccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000537627037 1032352700 /nfs/dbraw/zinc/35/27/00/1032352700.db2.gz JVJUINYTJOYRLB-UHFFFAOYSA-N 1 0 314.410 3.875 20 5 DHBDRO CC(C)(C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773010114 1032525340 /nfs/dbraw/zinc/52/53/40/1032525340.db2.gz HEJIXCQDXHJRHN-UHFFFAOYSA-N 1 0 319.449 3.980 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)CCc2nccs2)cc1[N+](=O)[O-] ZINC000093843939 1032561071 /nfs/dbraw/zinc/56/10/71/1032561071.db2.gz SPGZRXRXYLXVMV-UHFFFAOYSA-N 1 0 319.430 3.849 20 5 DHBDRO CC(C)c1ccc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000577634697 1012062254 /nfs/dbraw/zinc/06/22/54/1012062254.db2.gz VBWXJISNIJBNIJ-MRXNPFEDSA-N 1 0 319.449 3.538 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)c1cccs1 ZINC000430200977 1012329287 /nfs/dbraw/zinc/32/92/87/1012329287.db2.gz IPBYUJKRIJPWCA-NSHDSACASA-N 1 0 306.387 3.858 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000610214985 1012423058 /nfs/dbraw/zinc/42/30/58/1012423058.db2.gz GXEVZIVCHWFJOQ-OAHLLOKOSA-N 1 0 314.360 3.799 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COCc2ccccc21 ZINC000515221756 1012582326 /nfs/dbraw/zinc/58/23/26/1012582326.db2.gz OSSQGYPWDXYMMB-SCLBCKFNSA-N 1 0 312.369 3.825 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000515379582 1012615027 /nfs/dbraw/zinc/61/50/27/1012615027.db2.gz HJQOIASGPZGEKD-HIFRSBDPSA-N 1 0 324.808 3.639 20 5 DHBDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000178645699 1017374795 /nfs/dbraw/zinc/37/47/95/1017374795.db2.gz LBQRTJZEYBCFGI-CYBMUJFWSA-N 1 0 315.373 3.628 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1csc(C)n1 ZINC000347328390 1017388565 /nfs/dbraw/zinc/38/85/65/1017388565.db2.gz ZZRFLLTUZPVUIW-KPKJPENVSA-N 1 0 317.414 3.895 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000163252575 1017489382 /nfs/dbraw/zinc/48/93/82/1017489382.db2.gz OEBBXXATPSEJIO-MSOLQXFVSA-N 1 0 314.385 3.678 20 5 DHBDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444687462 1017631603 /nfs/dbraw/zinc/63/16/03/1017631603.db2.gz VDGYSJIMJFMHFN-KGLIPLIRSA-N 1 0 316.405 3.776 20 5 DHBDRO CC(C)(CC1CCCCCC1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000444799049 1017684189 /nfs/dbraw/zinc/68/41/89/1017684189.db2.gz GPWUOAFTOUKGKL-UHFFFAOYSA-N 1 0 308.426 3.520 20 5 DHBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001167625625 1017713411 /nfs/dbraw/zinc/71/34/11/1017713411.db2.gz WTMSAQQFVXRTTE-UHFFFAOYSA-N 1 0 316.405 3.561 20 5 DHBDRO CC[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000125801741 1032720260 /nfs/dbraw/zinc/72/02/60/1032720260.db2.gz SAXOTCJPMIEJDW-ZDUSSCGKSA-N 1 0 315.373 3.524 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000356787615 1017749430 /nfs/dbraw/zinc/74/94/30/1017749430.db2.gz PDIPGRAFDKYUEP-QRTARXTBSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153566729 1017822942 /nfs/dbraw/zinc/82/29/42/1017822942.db2.gz OOQDECNRBCGXDF-AWEZNQCLSA-N 1 0 318.417 3.794 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)c(F)c1 ZINC000178733964 1017926779 /nfs/dbraw/zinc/92/67/79/1017926779.db2.gz BLXGGQWMMKPKRJ-JTQLQIEISA-N 1 0 324.302 3.905 20 5 DHBDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000052039476 1017933051 /nfs/dbraw/zinc/93/30/51/1017933051.db2.gz WAPLKTPNTKFTTK-UHFFFAOYSA-N 1 0 300.358 3.626 20 5 DHBDRO C[C@]1(c2ccccc2)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000446724412 1018229020 /nfs/dbraw/zinc/22/90/20/1018229020.db2.gz ZYJOZWNTQXFJNV-SFHVURJKSA-N 1 0 314.360 3.898 20 5 DHBDRO CCCc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446848545 1018266840 /nfs/dbraw/zinc/26/68/40/1018266840.db2.gz IGSPIZWFFACVQZ-UHFFFAOYSA-N 1 0 324.384 3.713 20 5 DHBDRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446845201 1018272799 /nfs/dbraw/zinc/27/27/99/1018272799.db2.gz YSSVXEAYHWLBHW-VXGBXAGGSA-N 1 0 304.394 3.776 20 5 DHBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000447068312 1018322005 /nfs/dbraw/zinc/32/20/05/1018322005.db2.gz OIRNWJRHMBVTTN-INIZCTEOSA-N 1 0 310.369 3.515 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000173979565 1018373880 /nfs/dbraw/zinc/37/38/80/1018373880.db2.gz SKLPIECFBDIFIW-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000447384594 1018382945 /nfs/dbraw/zinc/38/29/45/1018382945.db2.gz MTVKUALTZMREIY-INIZCTEOSA-N 1 0 310.369 3.515 20 5 DHBDRO CC1(C)CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447527112 1018405398 /nfs/dbraw/zinc/40/53/98/1018405398.db2.gz DHOHTHXSXBXIAK-HUUCEWRRSA-N 1 0 320.437 3.833 20 5 DHBDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447532628 1018409744 /nfs/dbraw/zinc/40/97/44/1018409744.db2.gz WQTGAUIJIVQZOM-LVQVYYBASA-N 1 0 320.437 3.691 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764884233 1018416777 /nfs/dbraw/zinc/41/67/77/1018416777.db2.gz YLYWZQJJVBJQAI-OCCSQVGLSA-N 1 0 316.405 3.721 20 5 DHBDRO CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)[C@H](C)C(C)C ZINC000764927075 1018429255 /nfs/dbraw/zinc/42/92/55/1018429255.db2.gz XAUVHWURUGDKJI-CYBMUJFWSA-N 1 0 304.394 3.577 20 5 DHBDRO Cc1cccc2c(CC[NH2+]Cc3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000174447915 1018429469 /nfs/dbraw/zinc/42/94/69/1018429469.db2.gz LQUBNOFHYXBTDM-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000526007966 1018429765 /nfs/dbraw/zinc/42/97/65/1018429765.db2.gz MYCOZEKCRKHVNC-OAHLLOKOSA-N 1 0 300.333 3.723 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000246310879 1018448722 /nfs/dbraw/zinc/44/87/22/1018448722.db2.gz QSYQACRTTJGJDV-GJZGRUSLSA-N 1 0 318.398 3.527 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)nc2C)cc1[N+](=O)[O-] ZINC000278323928 1018568078 /nfs/dbraw/zinc/56/80/78/1018568078.db2.gz FFUJKCNURADDPX-NSHDSACASA-N 1 0 303.337 3.597 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)s1 ZINC000572987746 1018610650 /nfs/dbraw/zinc/61/06/50/1018610650.db2.gz FBJOKJMRACNRBO-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340446868 1018636690 /nfs/dbraw/zinc/63/66/90/1018636690.db2.gz PXNDFSZDQSYIGN-MLGOLLRUSA-N 1 0 315.373 3.887 20 5 DHBDRO Cc1cc(C)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1 ZINC000278560115 1018825994 /nfs/dbraw/zinc/82/59/94/1018825994.db2.gz ASYMNRWQWBMGEE-UHFFFAOYSA-N 1 0 324.384 3.686 20 5 DHBDRO CC[NH+](CC)CCSCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000088733663 1018918282 /nfs/dbraw/zinc/91/82/82/1018918282.db2.gz CCHNMFWPQHQBCY-UHFFFAOYSA-N 1 0 302.827 3.823 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)c1 ZINC000921834962 1018926415 /nfs/dbraw/zinc/92/64/15/1018926415.db2.gz KLORVXBMIOJHTK-MBNYWOFBSA-N 1 0 324.808 3.543 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000462931583 1018929689 /nfs/dbraw/zinc/92/96/89/1018929689.db2.gz XFPDMDDQFYOSPN-QGZVFWFLSA-N 1 0 321.421 3.526 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CCO)CCCC1)CCC2 ZINC000278626764 1018950121 /nfs/dbraw/zinc/95/01/21/1018950121.db2.gz GPWUJVKCEJGDNT-KRWDZBQOSA-N 1 0 318.417 3.505 20 5 DHBDRO CCc1onc(C)c1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000922982536 1018957873 /nfs/dbraw/zinc/95/78/73/1018957873.db2.gz DYCOVRNLIJMTNY-WQLSENKSSA-N 1 0 315.373 3.647 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2c1cccc2F ZINC000584182482 1019002401 /nfs/dbraw/zinc/00/24/01/1019002401.db2.gz BTDSJQDBTBXOIB-DLBZAZTESA-N 1 0 312.344 3.998 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340520813 1019055380 /nfs/dbraw/zinc/05/53/80/1019055380.db2.gz GTNPVUKXQJLRCQ-MRXNPFEDSA-N 1 0 312.369 3.510 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1ccccc1[N+](=O)[O-] ZINC000921968035 1019232620 /nfs/dbraw/zinc/23/26/20/1019232620.db2.gz VZQPBLZYPLECRF-OLZOCXBDSA-N 1 0 312.369 3.769 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cccnc2)CC1 ZINC000611258917 1019424826 /nfs/dbraw/zinc/42/48/26/1019424826.db2.gz GDIMFESEVNEMLO-CQSZACIVSA-N 1 0 311.385 3.930 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)CCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000611274761 1019430431 /nfs/dbraw/zinc/43/04/31/1019430431.db2.gz XBXQONBAVJEMCB-UHFFFAOYSA-N 1 0 308.422 3.965 20 5 DHBDRO CC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000158844432 1019440593 /nfs/dbraw/zinc/44/05/93/1019440593.db2.gz GZUMBWFXMMBYQT-UHFFFAOYSA-N 1 0 317.414 3.950 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000611350314 1019450626 /nfs/dbraw/zinc/45/06/26/1019450626.db2.gz ICCQPDDBOPEGOT-HZPDHXFCSA-N 1 0 318.417 3.542 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C2(CO)CCCCC2)cc1[N+](=O)[O-] ZINC000611461704 1019490653 /nfs/dbraw/zinc/49/06/53/1019490653.db2.gz LEQNAVORIUHRAA-UHFFFAOYSA-N 1 0 306.406 3.503 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000611480896 1019500649 /nfs/dbraw/zinc/50/06/49/1019500649.db2.gz QQMBUASASLHEEG-CYBMUJFWSA-N 1 0 323.356 3.657 20 5 DHBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000611555043 1019518383 /nfs/dbraw/zinc/51/83/83/1019518383.db2.gz KJEPFHNUOFOWTF-DGCLKSJQSA-N 1 0 316.323 3.800 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000158893545 1019737407 /nfs/dbraw/zinc/73/74/07/1019737407.db2.gz AYYGPWJDUSAEKK-OAHLLOKOSA-N 1 0 302.761 3.505 20 5 DHBDRO Cc1cc(N2CC[C@H](C)[C@@H](F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611931005 1019881104 /nfs/dbraw/zinc/88/11/04/1019881104.db2.gz FPWNLYBBWMBJBS-HZMBPMFUSA-N 1 0 303.337 3.636 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000534331858 1020033923 /nfs/dbraw/zinc/03/39/23/1020033923.db2.gz AZGVTRZSXPUFEC-GNJLHFKMSA-N 1 0 309.369 3.840 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000154234020 1020083293 /nfs/dbraw/zinc/08/32/93/1020083293.db2.gz GVOAFDRXJCMXET-BLLLJJGKSA-N 1 0 324.446 3.930 20 5 DHBDRO C[C@@H]([NH2+]Cc1scnc1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922538321 1020117726 /nfs/dbraw/zinc/11/77/26/1020117726.db2.gz PLIPZVLPEULRET-SNVBAGLBSA-N 1 0 303.387 3.780 20 5 DHBDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000093315550 1020147519 /nfs/dbraw/zinc/14/75/19/1020147519.db2.gz CJVGCFNVSYNNAX-CYBMUJFWSA-N 1 0 300.358 3.802 20 5 DHBDRO CC(C)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000093644435 1020164787 /nfs/dbraw/zinc/16/47/87/1020164787.db2.gz RCEWKEZYHNIZFD-GDBMZVCRSA-N 1 0 319.449 3.633 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155077690 1020187520 /nfs/dbraw/zinc/18/75/20/1020187520.db2.gz SYHLQFOIDYNBGW-KRWDZBQOSA-N 1 0 311.385 3.671 20 5 DHBDRO C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000124672263 1020208808 /nfs/dbraw/zinc/20/88/08/1020208808.db2.gz LYEGHRZVGASCKP-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000330807105 1020242950 /nfs/dbraw/zinc/24/29/50/1020242950.db2.gz MLTALMAYJPPHBH-HNNXBMFYSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@@H](C)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179322590 1020251480 /nfs/dbraw/zinc/25/14/80/1020251480.db2.gz DHHFQIOPUBKELL-LLVKDONJSA-N 1 0 305.403 3.949 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000155622602 1020255417 /nfs/dbraw/zinc/25/54/17/1020255417.db2.gz MWGIFRSEMWIAAX-ZDUSSCGKSA-N 1 0 322.405 3.676 20 5 DHBDRO C[N@@H+]1CCC[C@@H](CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000553387658 1020285633 /nfs/dbraw/zinc/28/56/33/1020285633.db2.gz HGVWPWQBYYKFEF-VIFPVBQESA-N 1 0 318.204 3.655 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000922838562 1020303771 /nfs/dbraw/zinc/30/37/71/1020303771.db2.gz TXMOTFOUAMQOBN-GXSJLCMTSA-N 1 0 300.811 3.622 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCc2cccnc21 ZINC000922880314 1020327651 /nfs/dbraw/zinc/32/76/51/1020327651.db2.gz CRZAQDCCWXXZIG-LWAXHKBTSA-N 1 0 309.369 3.670 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000555720956 1020368134 /nfs/dbraw/zinc/36/81/34/1020368134.db2.gz BLMYKAZIUQMOAA-CABCVRRESA-N 1 0 304.390 3.614 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000126038739 1020370155 /nfs/dbraw/zinc/37/01/55/1020370155.db2.gz TWQHBTMVOCIXFT-OLZOCXBDSA-N 1 0 316.323 3.848 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000126038230 1020371020 /nfs/dbraw/zinc/37/10/20/1020371020.db2.gz TWQHBTMVOCIXFT-STQMWFEESA-N 1 0 316.323 3.848 20 5 DHBDRO COCCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000123051026 1020447096 /nfs/dbraw/zinc/44/70/96/1020447096.db2.gz XFNMCWSYWGAQCK-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282640835 1020478136 /nfs/dbraw/zinc/47/81/36/1020478136.db2.gz BPFBMBDRSUULPV-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000765846796 1020490209 /nfs/dbraw/zinc/49/02/09/1020490209.db2.gz YHGOGFQRNLLJHI-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO CCS[C@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000303498786 1020493212 /nfs/dbraw/zinc/49/32/12/1020493212.db2.gz XXIOMAARIXKLIY-HNNXBMFYSA-N 1 0 324.446 3.711 20 5 DHBDRO C[C@@H]([NH2+][C@H]1C[C@H]1c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000411496975 1020549407 /nfs/dbraw/zinc/54/94/07/1020549407.db2.gz YOAYCJKEDSDQFX-RLCCDNCMSA-N 1 0 300.333 3.941 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000163153152 1020577161 /nfs/dbraw/zinc/57/71/61/1020577161.db2.gz UZLBOKGZUXLAAB-SJORKVTESA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@H]([NH2+]CCCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000163228688 1020585880 /nfs/dbraw/zinc/58/58/80/1020585880.db2.gz XJHMIYMVPDOXQC-INIZCTEOSA-N 1 0 308.422 3.824 20 5 DHBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000411889692 1020628947 /nfs/dbraw/zinc/62/89/47/1020628947.db2.gz GKLYZEKOTBWTJK-RZAIGCCYSA-N 1 0 312.369 3.558 20 5 DHBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738052958 1020859088 /nfs/dbraw/zinc/85/90/88/1020859088.db2.gz FZALQAWPUPFYBG-XJKSGUPXSA-N 1 0 316.405 3.803 20 5 DHBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738052050 1020860141 /nfs/dbraw/zinc/86/01/41/1020860141.db2.gz BWTUXHQVBYZTPL-XJKSGUPXSA-N 1 0 316.405 3.803 20 5 DHBDRO C[NH+](C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000580779068 1020860331 /nfs/dbraw/zinc/86/03/31/1020860331.db2.gz WBIDKTIMWKJPAV-HNNXBMFYSA-N 1 0 321.327 3.588 20 5 DHBDRO COc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000120127899 1021044055 /nfs/dbraw/zinc/04/40/55/1021044055.db2.gz KQYJASOECKAQJK-MRXNPFEDSA-N 1 0 312.369 3.593 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000776273853 1021215211 /nfs/dbraw/zinc/21/52/11/1021215211.db2.gz AZCGGTHKQWXVTC-HZPDHXFCSA-N 1 0 318.398 3.527 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC000776276463 1021219440 /nfs/dbraw/zinc/21/94/40/1021219440.db2.gz KAIJZDXKITWLEX-ROUUACIJSA-N 1 0 318.417 3.673 20 5 DHBDRO C[C@H](O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892671843 1021269100 /nfs/dbraw/zinc/26/91/00/1021269100.db2.gz DUIUCXWOOBAJLI-NSHDSACASA-N 1 0 320.776 3.591 20 5 DHBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000618198584 1021325983 /nfs/dbraw/zinc/32/59/83/1021325983.db2.gz FHKZQCQKJVJUIC-LSDHHAIUSA-N 1 0 318.398 3.590 20 5 DHBDRO CCOC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000189349282 1021360700 /nfs/dbraw/zinc/36/07/00/1021360700.db2.gz JERRGWGFLLLMPT-ZBFHGGJFSA-N 1 0 308.422 3.567 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000154615965 1021422820 /nfs/dbraw/zinc/42/28/20/1021422820.db2.gz AUJHEOUAAUGCTL-MRXNPFEDSA-N 1 0 304.296 3.650 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC3(CCC3)C1)CCC2 ZINC000618572101 1021424815 /nfs/dbraw/zinc/42/48/15/1021424815.db2.gz ZAOGNNPRNUYVNU-RHSMWYFYSA-N 1 0 316.401 3.664 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000618577713 1021428978 /nfs/dbraw/zinc/42/89/78/1021428978.db2.gz BOWCVOUKTOULAC-YOEHRIQHSA-N 1 0 317.433 3.571 20 5 DHBDRO CSCC1(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000850356147 1021486403 /nfs/dbraw/zinc/48/64/03/1021486403.db2.gz PCJCPPHPCSHSGS-UHFFFAOYSA-N 1 0 314.838 3.871 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCSC(F)(F)F ZINC000850425554 1021524724 /nfs/dbraw/zinc/52/47/24/1021524724.db2.gz NSERMUCSKLVYQL-QMMMGPOBSA-N 1 0 324.324 3.507 20 5 DHBDRO CC[C@H](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850505120 1021566376 /nfs/dbraw/zinc/56/63/76/1021566376.db2.gz NCLFPOGGCAQCAR-AWEZNQCLSA-N 1 0 305.422 3.589 20 5 DHBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618984955 1021605897 /nfs/dbraw/zinc/60/58/97/1021605897.db2.gz NFZPWNYXAIFMEO-PBFPGSCMSA-N 1 0 318.417 3.722 20 5 DHBDRO COc1ccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000538159654 1032996856 /nfs/dbraw/zinc/99/68/56/1032996856.db2.gz UOBWMFHSOFEWEF-UHFFFAOYSA-N 1 0 312.369 3.691 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C2CCCC2)c1 ZINC000337453375 1033006474 /nfs/dbraw/zinc/00/64/74/1033006474.db2.gz INQCOGMLIPXXOQ-ZDUSSCGKSA-N 1 0 314.389 3.757 20 5 DHBDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000556616464 1021794132 /nfs/dbraw/zinc/79/41/32/1021794132.db2.gz LYNJJEDMKKWATD-LLVKDONJSA-N 1 0 304.394 3.776 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000556609944 1021794948 /nfs/dbraw/zinc/79/49/48/1021794948.db2.gz WGQUYCFRBSGNBI-FGCJYXMVSA-N 1 0 316.401 3.642 20 5 DHBDRO CCCC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236806449 1021949901 /nfs/dbraw/zinc/94/99/01/1021949901.db2.gz FSUPACCMDRBAII-UHFFFAOYSA-N 1 0 304.346 3.753 20 5 DHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000919963793 1021987089 /nfs/dbraw/zinc/98/70/89/1021987089.db2.gz FVHFFUVSUWFOBS-KBPBESRZSA-N 1 0 323.412 3.904 20 5 DHBDRO CC(C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000851838652 1022015238 /nfs/dbraw/zinc/01/52/38/1022015238.db2.gz NCEJSVAYASMWCF-UHFFFAOYSA-N 1 0 306.312 3.898 20 5 DHBDRO CCC1CCC([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776593476 1022117960 /nfs/dbraw/zinc/11/79/60/1022117960.db2.gz WUBUDNIUMHNDDR-PUJMQQBBSA-N 1 0 306.406 3.529 20 5 DHBDRO CC1(C)CCC[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC001168847666 1022161685 /nfs/dbraw/zinc/16/16/85/1022161685.db2.gz FVFBEODMOOFGQT-QGZVFWFLSA-N 1 0 318.417 3.907 20 5 DHBDRO CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168981253 1022199028 /nfs/dbraw/zinc/19/90/28/1022199028.db2.gz GWXZITGGOQWSHY-KEYYUXOJSA-N 1 0 308.397 3.948 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C1 ZINC001168984313 1022199688 /nfs/dbraw/zinc/19/96/88/1022199688.db2.gz LYFGGOSZMJOYSN-JLSDUUJJSA-N 1 0 302.418 3.953 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C1 ZINC001168984314 1022199816 /nfs/dbraw/zinc/19/98/16/1022199816.db2.gz LYFGGOSZMJOYSN-OLMNPRSZSA-N 1 0 302.418 3.953 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2F)C2CCC2)C1 ZINC001168984688 1022199821 /nfs/dbraw/zinc/19/98/21/1022199821.db2.gz QAFULNKYJWTOMR-MRRJBJDNSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC001168963151 1022201092 /nfs/dbraw/zinc/20/10/92/1022201092.db2.gz NVCWEAZXBYRWBA-TVQRCGJNSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC001168959354 1022201876 /nfs/dbraw/zinc/20/18/76/1022201876.db2.gz VDCNAGMWXKWNJK-CRAIPNDOSA-N 1 0 310.397 3.889 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC001168960076 1022201969 /nfs/dbraw/zinc/20/19/69/1022201969.db2.gz ZUMMOBICEIIEKA-LPHOPBHVSA-N 1 0 324.424 3.854 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(c3ccccc3)CCCCC2)C1 ZINC001168966104 1022202855 /nfs/dbraw/zinc/20/28/55/1022202855.db2.gz GKGYFMQVMHKVKH-AEFFLSMTSA-N 1 0 316.445 3.924 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC001168970673 1022206187 /nfs/dbraw/zinc/20/61/87/1022206187.db2.gz IEKSBKRCJBPWDR-QWRGUYRKSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C(c2cccs2)c2cccs2)C1 ZINC001169008033 1022211731 /nfs/dbraw/zinc/21/17/31/1022211731.db2.gz QWNPKMXPDNZEAI-RYUDHWBXSA-N 1 0 322.455 3.934 20 5 DHBDRO CC(C)Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169006886 1022213442 /nfs/dbraw/zinc/21/34/42/1022213442.db2.gz ZPJOAECLCLSNDL-ZVZYQTTQSA-N 1 0 304.434 3.981 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001169007684 1022213453 /nfs/dbraw/zinc/21/34/53/1022213453.db2.gz PFMNIUXBYPCBOK-DDBAPUKQSA-N 1 0 302.418 3.748 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC001168988166 1022216910 /nfs/dbraw/zinc/21/69/10/1022216910.db2.gz OQXWNLUZNROVRK-CVEARBPZSA-N 1 0 318.417 3.543 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3Cl)CCC2)C1 ZINC001168990705 1022219891 /nfs/dbraw/zinc/21/98/91/1022219891.db2.gz DLXQZCBMSTWOHZ-STQMWFEESA-N 1 0 308.809 3.754 20 5 DHBDRO C[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCc2ccc(Cl)cc21 ZINC001169038871 1022221799 /nfs/dbraw/zinc/22/17/99/1022221799.db2.gz LBVKWXQNSWXWCB-WOSRLPQWSA-N 1 0 322.836 3.747 20 5 DHBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036173 1022221827 /nfs/dbraw/zinc/22/18/27/1022221827.db2.gz FPELEXPEHUVXPF-OCCSQVGLSA-N 1 0 316.323 3.583 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001169039252 1022222597 /nfs/dbraw/zinc/22/25/97/1022222597.db2.gz OPOQLNQEQRNXCK-BQFCYCMXSA-N 1 0 320.408 3.526 20 5 DHBDRO CCCC[N@H+](CC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104667110 1022222785 /nfs/dbraw/zinc/22/27/85/1022222785.db2.gz NZCKVGIIUKJVRT-UHFFFAOYSA-N 1 0 317.389 3.914 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC001169025499 1022228805 /nfs/dbraw/zinc/22/88/05/1022228805.db2.gz JQUTUPUUFOVXSQ-DVOMOZLQSA-N 1 0 308.809 3.922 20 5 DHBDRO COc1cccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169142917 1022274293 /nfs/dbraw/zinc/27/42/93/1022274293.db2.gz HRNOXZKNIVGCMF-YVEFUNNKSA-N 1 0 321.421 3.559 20 5 DHBDRO CC(C)(C)c1ccc(-n2ncc3c2cccc3C[NH3+])c([N+](=O)[O-])c1 ZINC001169192247 1022293338 /nfs/dbraw/zinc/29/33/38/1022293338.db2.gz MNCBMRVMCYNEKO-UHFFFAOYSA-N 1 0 324.384 3.690 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)(C)O ZINC000609707846 1022335235 /nfs/dbraw/zinc/33/52/35/1022335235.db2.gz GLWQBHYIHYZTLX-NSHDSACASA-N 1 0 320.414 3.572 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000804318708 1022371012 /nfs/dbraw/zinc/37/10/12/1022371012.db2.gz BJONISROPXQCFM-ZDUSSCGKSA-N 1 0 321.421 3.720 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000090809950 1022461532 /nfs/dbraw/zinc/46/15/32/1022461532.db2.gz OVSWOLAROSFBBM-BBRMVZONSA-N 1 0 308.422 3.597 20 5 DHBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000538430096 1033061140 /nfs/dbraw/zinc/06/11/40/1033061140.db2.gz ROLKEJYPXKMQDU-SJLPKXTDSA-N 1 0 319.449 3.585 20 5 DHBDRO C[NH+](C)CCC(C)(C)Nc1cc2cccnc2c2ncccc12 ZINC001169718490 1022517556 /nfs/dbraw/zinc/51/75/56/1022517556.db2.gz OHPIBFRYBHOGIQ-UHFFFAOYSA-N 1 0 308.429 3.925 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000615942297 1022597512 /nfs/dbraw/zinc/59/75/12/1022597512.db2.gz ZJCKRNFMXWIXBH-UHFFFAOYSA-N 1 0 315.720 3.573 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)s2)c([N+](=O)[O-])cc1F ZINC000766894147 1022606297 /nfs/dbraw/zinc/60/62/97/1022606297.db2.gz PRPWNDZENCHDEE-JTQLQIEISA-N 1 0 324.377 3.963 20 5 DHBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000893296279 1022617796 /nfs/dbraw/zinc/61/77/96/1022617796.db2.gz SEVJVHZUHQWZTC-ZFWWWQNUSA-N 1 0 312.797 3.541 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1Cc2ccccc2C1)C1CC1 ZINC000184008376 1022633487 /nfs/dbraw/zinc/63/34/87/1022633487.db2.gz HWGXNUBNBMHUEW-LJQANCHMSA-N 1 0 322.408 3.673 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000616152037 1022649923 /nfs/dbraw/zinc/64/99/23/1022649923.db2.gz CLSRULVGVQUUEZ-OQLLNIDSSA-N 1 0 311.385 3.834 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cscn1)CCCC2 ZINC000417316140 1022674172 /nfs/dbraw/zinc/67/41/72/1022674172.db2.gz TXRHTFXWBUXZML-MRXNPFEDSA-N 1 0 317.414 3.651 20 5 DHBDRO C[C@@H](CCCCO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417354141 1022699301 /nfs/dbraw/zinc/69/93/01/1022699301.db2.gz YXKYJYSAHKAFAL-SUMWQHHRSA-N 1 0 306.406 3.503 20 5 DHBDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000566475179 1022722760 /nfs/dbraw/zinc/72/27/60/1022722760.db2.gz KTORUIKQGPJAHJ-QGZVFWFLSA-N 1 0 312.369 3.689 20 5 DHBDRO CCC1(CC)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000776847574 1022733315 /nfs/dbraw/zinc/73/33/15/1022733315.db2.gz SXXBXCNGAYHRMU-MRXNPFEDSA-N 1 0 306.406 3.530 20 5 DHBDRO C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000173354121 1022893465 /nfs/dbraw/zinc/89/34/65/1022893465.db2.gz SPXIGXOYZSUKOK-ZDUSSCGKSA-N 1 0 324.384 3.755 20 5 DHBDRO CC[N@H+](CC(=O)N(C)C)Cc1c2ccccc2cc2ccccc21 ZINC000768307110 1022944542 /nfs/dbraw/zinc/94/45/42/1022944542.db2.gz GSNOIOYUXJMCRS-UHFFFAOYSA-N 1 0 320.436 3.903 20 5 DHBDRO C[C@H](NCC[C@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184505954 1022945574 /nfs/dbraw/zinc/94/55/74/1022945574.db2.gz QWSOOZXFRXUZIN-GJZGRUSLSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1nc2c(o1)CCC[C@@H]2N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000925690205 1023162815 /nfs/dbraw/zinc/16/28/15/1023162815.db2.gz GIGZYDJQWJVXGQ-GWCFXTLKSA-N 1 0 301.346 3.619 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000876636555 1033112034 /nfs/dbraw/zinc/11/20/34/1033112034.db2.gz YUMXVYRNGLESKP-UHFFFAOYSA-N 1 0 320.433 3.991 20 5 DHBDRO C[N@H+](CCc1cccs1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000093268074 1023591408 /nfs/dbraw/zinc/59/14/08/1023591408.db2.gz FAZGWZMTPHJMQL-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3c1cccc3O)CCC2 ZINC000278849879 1023779067 /nfs/dbraw/zinc/77/90/67/1023779067.db2.gz VOEHEUNAQNIKHV-MSOLQXFVSA-N 1 0 324.380 3.955 20 5 DHBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000314051076 1023845716 /nfs/dbraw/zinc/84/57/16/1023845716.db2.gz BPDVGWHMYRWHAE-JTQLQIEISA-N 1 0 301.337 3.675 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCC3(CCCO3)CC2)c1 ZINC000788257914 1023865958 /nfs/dbraw/zinc/86/59/58/1023865958.db2.gz PFSKSOSJRWVGFB-UHFFFAOYSA-N 1 0 324.808 3.830 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1F ZINC000788468101 1023888823 /nfs/dbraw/zinc/88/88/23/1023888823.db2.gz DPCUOBNXFNDZFW-MRXNPFEDSA-N 1 0 314.360 3.941 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]C2CCC(C)(O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000788585642 1023910025 /nfs/dbraw/zinc/91/00/25/1023910025.db2.gz SQKVUJWTFKRGKU-OKZIQPOMSA-N 1 0 318.417 3.600 20 5 DHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788627106 1023916452 /nfs/dbraw/zinc/91/64/52/1023916452.db2.gz LWMMVXWFNMPIJO-SGIREYDYSA-N 1 0 323.462 3.892 20 5 DHBDRO CSc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788759500 1023930272 /nfs/dbraw/zinc/93/02/72/1023930272.db2.gz ULCZLXOJOMZKGM-LLVKDONJSA-N 1 0 317.414 3.750 20 5 DHBDRO C[C@H]([NH2+]CCCCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000194217800 1023993336 /nfs/dbraw/zinc/99/33/36/1023993336.db2.gz LUWQVIQZUVPZDM-LBPRGKRZSA-N 1 0 320.414 3.746 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000268733072 1024148153 /nfs/dbraw/zinc/14/81/53/1024148153.db2.gz CQALZTIZDVVKTC-DLBZAZTESA-N 1 0 318.348 3.508 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000268944984 1024201959 /nfs/dbraw/zinc/20/19/59/1024201959.db2.gz BAALADOJAMJIBP-WMLDXEAASA-N 1 0 314.385 3.678 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000269007820 1024217467 /nfs/dbraw/zinc/21/74/67/1024217467.db2.gz QZFLEYSJHKADGT-HOTGVXAUSA-N 1 0 318.373 3.661 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000269061969 1024233306 /nfs/dbraw/zinc/23/33/06/1024233306.db2.gz XZDNDUYFCUNWLD-KOLCDFICSA-N 1 0 320.311 3.521 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3C=CCC3)cs2)c1 ZINC000883238934 1024311300 /nfs/dbraw/zinc/31/13/00/1024311300.db2.gz QZWVSQWVMGZCHJ-LBPRGKRZSA-N 1 0 315.398 3.774 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125851373 1024331415 /nfs/dbraw/zinc/33/14/15/1024331415.db2.gz LXTLLSJXQJDQMC-HOTGVXAUSA-N 1 0 319.449 3.674 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)CC(F)F ZINC000883260295 1024333419 /nfs/dbraw/zinc/33/34/19/1024333419.db2.gz PQHYAOWITUSSFI-SNVBAGLBSA-N 1 0 316.348 3.935 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000883265859 1024337868 /nfs/dbraw/zinc/33/78/68/1024337868.db2.gz MPCHOIUFIAFNID-LBPRGKRZSA-N 1 0 314.332 3.519 20 5 DHBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877004321 1033205658 /nfs/dbraw/zinc/20/56/58/1033205658.db2.gz KOKZAHGJADRFSJ-VXTDNTOSSA-N 1 0 320.437 3.689 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C2CCC3(COC3)CC2)cccc1[N+](=O)[O-] ZINC000883379265 1024411374 /nfs/dbraw/zinc/41/13/74/1024411374.db2.gz VHLFADPUGSDELD-CYBMUJFWSA-N 1 0 304.390 3.513 20 5 DHBDRO CCC[C@@H]([NH2+]CC1(CF)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000453303572 1024450887 /nfs/dbraw/zinc/45/08/87/1024450887.db2.gz DIRMZRMHTAWMTB-MRXNPFEDSA-N 1 0 324.396 3.792 20 5 DHBDRO Cc1ncsc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000271067809 1024453224 /nfs/dbraw/zinc/45/32/24/1024453224.db2.gz KCAXKVNURCXBEM-UHFFFAOYSA-N 1 0 303.387 3.524 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000569047159 1024466610 /nfs/dbraw/zinc/46/66/10/1024466610.db2.gz RRTLXFQEGNMFHR-CYBMUJFWSA-N 1 0 316.405 3.675 20 5 DHBDRO CCC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453353454 1024478972 /nfs/dbraw/zinc/47/89/72/1024478972.db2.gz HXTGUJQWPTWRLS-ZWKOTPCHSA-N 1 0 318.417 3.939 20 5 DHBDRO CC[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453367962 1024491592 /nfs/dbraw/zinc/49/15/92/1024491592.db2.gz MOZJWUTUGVYFCW-SJORKVTESA-N 1 0 304.390 3.548 20 5 DHBDRO COCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000453388856 1024510224 /nfs/dbraw/zinc/51/02/24/1024510224.db2.gz RCTKMNQXBBMSQZ-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCCc2nccs2)cccc1[N+](=O)[O-] ZINC000271549601 1024538157 /nfs/dbraw/zinc/53/81/57/1024538157.db2.gz VOHPUEWCKXBOKS-LBPRGKRZSA-N 1 0 305.403 3.643 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000532188089 1024570885 /nfs/dbraw/zinc/57/08/85/1024570885.db2.gz AKRCRWMPHOMCKJ-HOTGVXAUSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000532202577 1024575179 /nfs/dbraw/zinc/57/51/79/1024575179.db2.gz XHFZFRTXRXKGFH-GDBMZVCRSA-N 1 0 307.438 3.530 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC(C(F)(F)F)C1)CCC2 ZINC000348678472 1024604769 /nfs/dbraw/zinc/60/47/69/1024604769.db2.gz GYYDUTNVQYDBRO-MGULZYLOSA-N 1 0 314.307 3.903 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCc2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000278999163 1024672938 /nfs/dbraw/zinc/67/29/38/1024672938.db2.gz FOCVYLGBHCNEKH-KRWDZBQOSA-N 1 0 311.385 3.545 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001170313030 1024741434 /nfs/dbraw/zinc/74/14/34/1024741434.db2.gz JCMAXDKESYCETO-LRDDRELGSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH+]2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170329914 1024745971 /nfs/dbraw/zinc/74/59/71/1024745971.db2.gz WRSHVXMBVUFWAG-CYBMUJFWSA-N 1 0 312.369 3.550 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC23CCCCC3)c([N+](=O)[O-])c1 ZINC001170334353 1024746359 /nfs/dbraw/zinc/74/63/59/1024746359.db2.gz CLAWGVRYVTUTPB-CQSZACIVSA-N 1 0 318.417 3.943 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170334434 1024746682 /nfs/dbraw/zinc/74/66/82/1024746682.db2.gz DSLFKUGPLGOYSP-DZKIICNBSA-N 1 0 318.417 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC23CCCCC3)c([N+](=O)[O-])c1 ZINC001170334352 1024747223 /nfs/dbraw/zinc/74/72/23/1024747223.db2.gz CLAWGVRYVTUTPB-AWEZNQCLSA-N 1 0 318.417 3.943 20 5 DHBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878076 1024820079 /nfs/dbraw/zinc/82/00/79/1024820079.db2.gz RVGSUSBLMMGUBG-IUODEOHRSA-N 1 0 321.377 3.952 20 5 DHBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000793388746 1025032733 /nfs/dbraw/zinc/03/27/33/1025032733.db2.gz FWCADIKGMUMRHI-NRFANRHFSA-N 1 0 318.420 3.690 20 5 DHBDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000120721437 1025052804 /nfs/dbraw/zinc/05/28/04/1025052804.db2.gz CHYUKIOJFCCJJJ-QWQRMKEZSA-N 1 0 314.385 3.758 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000539060876 1033260378 /nfs/dbraw/zinc/26/03/78/1033260378.db2.gz JYIMVEMOEKFBHW-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000248926547 1025186608 /nfs/dbraw/zinc/18/66/08/1025186608.db2.gz XHEDPXSBTVFYBD-XGWLTEMNSA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000319203881 1025194709 /nfs/dbraw/zinc/19/47/09/1025194709.db2.gz QNICOVZINLOHNZ-NSHDSACASA-N 1 0 313.348 3.676 20 5 DHBDRO CCCCCn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000348352588 1025362991 /nfs/dbraw/zinc/36/29/91/1025362991.db2.gz RXPBTGISPSZFQH-UHFFFAOYSA-N 1 0 316.405 3.580 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000897464043 1025365991 /nfs/dbraw/zinc/36/59/91/1025365991.db2.gz JUNRHNQEJHQAFC-RHSMWYFYSA-N 1 0 318.417 3.637 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000324803687 1025380363 /nfs/dbraw/zinc/38/03/63/1025380363.db2.gz QERHBSSTNIKNCL-UHFFFAOYSA-N 1 0 304.390 3.532 20 5 DHBDRO C[C@@H](C[NH2+]Cc1csc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000897469563 1025405603 /nfs/dbraw/zinc/40/56/03/1025405603.db2.gz MOEJLNXHLTZPEY-NSHDSACASA-N 1 0 317.414 3.822 20 5 DHBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H]1c1ccccc1Cl ZINC000885959931 1025420175 /nfs/dbraw/zinc/42/01/75/1025420175.db2.gz FBFANXCZZRYXBI-HNNXBMFYSA-N 1 0 317.776 3.980 20 5 DHBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000886020646 1025443367 /nfs/dbraw/zinc/44/33/67/1025443367.db2.gz FIIZWAPMVLHYGW-RHSMWYFYSA-N 1 0 311.385 3.615 20 5 DHBDRO C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCS1 ZINC000126475398 1033283808 /nfs/dbraw/zinc/28/38/08/1033283808.db2.gz FQIXIKQKVLLAIS-CYBMUJFWSA-N 1 0 300.811 3.624 20 5 DHBDRO CC1(c2ccccc2)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886082913 1025468095 /nfs/dbraw/zinc/46/80/95/1025468095.db2.gz CCGXFITXBJETAX-UHFFFAOYSA-N 1 0 311.385 3.544 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000136818516 1025487549 /nfs/dbraw/zinc/48/75/49/1025487549.db2.gz DFJAOICZCSCQDL-ZWKOTPCHSA-N 1 0 314.385 3.678 20 5 DHBDRO Cc1c(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000886341358 1025594017 /nfs/dbraw/zinc/59/40/17/1025594017.db2.gz ULVGQPSBRMBCFE-KRWDZBQOSA-N 1 0 318.417 3.732 20 5 DHBDRO O=[N+]([O-])c1ccc(CN[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000237813683 1025788236 /nfs/dbraw/zinc/78/82/36/1025788236.db2.gz SOBSOVWKCNPTGO-HNNXBMFYSA-N 1 0 318.760 3.862 20 5 DHBDRO CCC1([NH+]2CCC2)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000886707286 1025813030 /nfs/dbraw/zinc/81/30/30/1025813030.db2.gz CYRJWRAHCSMQDJ-HNNXBMFYSA-N 1 0 317.433 3.606 20 5 DHBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000089668782 1026062424 /nfs/dbraw/zinc/06/24/24/1026062424.db2.gz RWPFGZCKISRIDB-SUMWQHHRSA-N 1 0 300.358 3.633 20 5 DHBDRO COCCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000122311207 1026181715 /nfs/dbraw/zinc/18/17/15/1026181715.db2.gz GFMZCDCOMDMEFN-AWEZNQCLSA-N 1 0 306.406 3.842 20 5 DHBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000289946796 1026245402 /nfs/dbraw/zinc/24/54/02/1026245402.db2.gz WISRVNVFIADPBF-NEPJUHHUSA-N 1 0 316.357 3.721 20 5 DHBDRO CCC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000293231202 1026299128 /nfs/dbraw/zinc/29/91/28/1026299128.db2.gz AVETZSCURAOBQI-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000513490096 1026520556 /nfs/dbraw/zinc/52/05/56/1026520556.db2.gz LZXCMSDPIUCHOL-AWEZNQCLSA-N 1 0 314.385 3.666 20 5 DHBDRO C[C@H](Nc1nccc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000413169736 1026765339 /nfs/dbraw/zinc/76/53/39/1026765339.db2.gz YLQSAFQIAPXVRF-LBPRGKRZSA-N 1 0 316.405 3.531 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000421198026 1026943389 /nfs/dbraw/zinc/94/33/89/1026943389.db2.gz IIVMZFWBRRJVLO-JSGCOSHPSA-N 1 0 306.431 3.779 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421374843 1026969495 /nfs/dbraw/zinc/96/94/95/1026969495.db2.gz HOLFSGYAYNGAMB-AWEZNQCLSA-N 1 0 306.431 3.526 20 5 DHBDRO COC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000811488617 1027010630 /nfs/dbraw/zinc/01/06/30/1027010630.db2.gz FNWMLGQVTHICBP-UHFFFAOYSA-N 1 0 319.188 3.560 20 5 DHBDRO CC[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000421863978 1027071920 /nfs/dbraw/zinc/07/19/20/1027071920.db2.gz XFNGQHOBTUGXOX-MRRJBJDNSA-N 1 0 318.417 3.864 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ncco2)CC1 ZINC000931449183 1027128429 /nfs/dbraw/zinc/12/84/29/1027128429.db2.gz SMDMCQGUJZXOLZ-GFCCVEGCSA-N 1 0 301.346 3.523 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000362385006 1027175975 /nfs/dbraw/zinc/17/59/75/1027175975.db2.gz QBJWFJJNCJYKLM-DZGCQCFKSA-N 1 0 324.446 3.709 20 5 DHBDRO C[NH+](C)C1(CNc2ccc(C(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000319694166 1027232006 /nfs/dbraw/zinc/23/20/06/1027232006.db2.gz SLMMJKDKYCUZDD-UHFFFAOYSA-N 1 0 313.348 3.819 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000932207074 1027414222 /nfs/dbraw/zinc/41/42/22/1027414222.db2.gz QVFHZZHKGNTHNZ-AWEZNQCLSA-N 1 0 317.414 3.506 20 5 DHBDRO CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423499717 1027565232 /nfs/dbraw/zinc/56/52/32/1027565232.db2.gz JLHJVPFZOBZUNB-ACJLOTCBSA-N 1 0 313.401 3.508 20 5 DHBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000576201028 1027582750 /nfs/dbraw/zinc/58/27/50/1027582750.db2.gz HYEKKYWOHNIUGJ-CYBMUJFWSA-N 1 0 316.405 3.675 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000778949882 1027633953 /nfs/dbraw/zinc/63/39/53/1027633953.db2.gz DFQFQJNWURGQOX-GHMZBOCLSA-N 1 0 302.296 3.848 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000576805950 1027663359 /nfs/dbraw/zinc/66/33/59/1027663359.db2.gz WNFJIWBVGOZDFW-VHSXEESVSA-N 1 0 302.296 3.844 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000576953593 1027684729 /nfs/dbraw/zinc/68/47/29/1027684729.db2.gz VETIGQIWFYLOKX-BJESKFFQSA-N 1 0 318.417 3.791 20 5 DHBDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296639284 1027693940 /nfs/dbraw/zinc/69/39/40/1027693940.db2.gz BXYSOWYVINXDFU-JQWIXIFHSA-N 1 0 320.311 3.603 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000577197714 1027723209 /nfs/dbraw/zinc/72/32/09/1027723209.db2.gz POMBWGILHSCKBA-GDBMZVCRSA-N 1 0 320.433 3.743 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000527518239 1027741385 /nfs/dbraw/zinc/74/13/85/1027741385.db2.gz ZGGXARCIJBRURI-UHFFFAOYSA-N 1 0 322.311 3.701 20 5 DHBDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000023004780 1027765750 /nfs/dbraw/zinc/76/57/50/1027765750.db2.gz IEBBABXYRSAXNB-ZDUSSCGKSA-N 1 0 300.358 3.796 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCOC12CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000933875633 1027852071 /nfs/dbraw/zinc/85/20/71/1027852071.db2.gz UCUQGRVVBUAQBU-XJKSGUPXSA-N 1 0 304.390 3.737 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)c(F)c1 ZINC000601156405 1028004953 /nfs/dbraw/zinc/00/49/53/1028004953.db2.gz WHGMMGJUQKFGHB-INIZCTEOSA-N 1 0 322.380 3.563 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000601304674 1028071758 /nfs/dbraw/zinc/07/17/58/1028071758.db2.gz ORINHEPHYAPORS-ZLIFDBKOSA-N 1 0 304.390 3.593 20 5 DHBDRO O=[N+]([O-])c1ccc(CN2CC[C@](F)(c3ccccc3)C2)c(F)c1 ZINC000578340467 1028123828 /nfs/dbraw/zinc/12/38/28/1028123828.db2.gz HLWWRQWXSRLOMW-QGZVFWFLSA-N 1 0 318.323 3.805 20 5 DHBDRO Cc1cnccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000578953671 1028284591 /nfs/dbraw/zinc/28/45/91/1028284591.db2.gz OINYDNXQNFDNEX-QGZVFWFLSA-N 1 0 311.385 3.678 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449086886 1028327446 /nfs/dbraw/zinc/32/74/46/1028327446.db2.gz TVDQVRVTDOHNTG-RDTXWAMCSA-N 1 0 314.385 3.503 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccccc1F ZINC000449088810 1028361688 /nfs/dbraw/zinc/36/16/88/1028361688.db2.gz ZXNHQYOEARXAKV-UONOGXRCSA-N 1 0 316.376 3.886 20 5 DHBDRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449088808 1028363719 /nfs/dbraw/zinc/36/37/19/1028363719.db2.gz ZXNHQYOEARXAKV-KBPBESRZSA-N 1 0 316.376 3.886 20 5 DHBDRO CCc1nc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449152746 1028405705 /nfs/dbraw/zinc/40/57/05/1028405705.db2.gz AXUUFZFNQWMEOA-VXGBXAGGSA-N 1 0 319.430 3.896 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000369114050 1028447280 /nfs/dbraw/zinc/44/72/80/1028447280.db2.gz YTVFJOMJZXAJTR-RDJZCZTQSA-N 1 0 311.385 3.806 20 5 DHBDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)c1 ZINC000009902463 1028525346 /nfs/dbraw/zinc/52/53/46/1028525346.db2.gz ZMALESNVUFBESL-GOSISDBHSA-N 1 0 312.369 3.941 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000449308167 1028528490 /nfs/dbraw/zinc/52/84/90/1028528490.db2.gz VCPAMKKAJDQNHJ-STQMWFEESA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@H]([NH2+]CCCOC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554616 1028541386 /nfs/dbraw/zinc/54/13/86/1028541386.db2.gz DFOPQCHMXRCDKV-ZDUSSCGKSA-N 1 0 321.421 3.567 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1c(F)cncc1F ZINC000449319162 1028548462 /nfs/dbraw/zinc/54/84/62/1028548462.db2.gz JAUVHIIIHKYEAO-QWRGUYRKSA-N 1 0 321.327 3.550 20 5 DHBDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578181 1028551305 /nfs/dbraw/zinc/55/13/05/1028551305.db2.gz JJJNEVCPFKFRSL-GFCCVEGCSA-N 1 0 317.364 3.600 20 5 DHBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591484 1028558636 /nfs/dbraw/zinc/55/86/36/1028558636.db2.gz ITCJTXOAGWVLKV-SJCJKPOMSA-N 1 0 311.385 3.824 20 5 DHBDRO Cc1ccc(OC[C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000040499624 1028560392 /nfs/dbraw/zinc/56/03/92/1028560392.db2.gz PLECOHCUZKVFNJ-LBPRGKRZSA-N 1 0 306.387 3.522 20 5 DHBDRO CS[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000815615423 1028570766 /nfs/dbraw/zinc/57/07/66/1028570766.db2.gz PJHPXSFSZMMSHA-YGRLFVJLSA-N 1 0 311.451 3.605 20 5 DHBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449416217 1028614961 /nfs/dbraw/zinc/61/49/61/1028614961.db2.gz SCZIMVSFCFCLPU-INIZCTEOSA-N 1 0 316.357 3.512 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000565860961 1028644574 /nfs/dbraw/zinc/64/45/74/1028644574.db2.gz IJPXJAOXQHCCQJ-LJQANCHMSA-N 1 0 324.380 3.565 20 5 DHBDRO CC(C)SCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566028012 1028667325 /nfs/dbraw/zinc/66/73/25/1028667325.db2.gz WUYKMZXTBHDJCX-OAHLLOKOSA-N 1 0 308.447 3.647 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC4(CC4)CC3)co2)cc1 ZINC000371346112 1028696638 /nfs/dbraw/zinc/69/66/38/1028696638.db2.gz UXAQYMSMYYJJLL-UHFFFAOYSA-N 1 0 313.357 3.626 20 5 DHBDRO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000449498902 1028714671 /nfs/dbraw/zinc/71/46/71/1028714671.db2.gz LKGWUYYGIUIHBI-HLLBOEOZSA-N 1 0 318.417 3.589 20 5 DHBDRO CC(C)[C@H]1C[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449502755 1028719692 /nfs/dbraw/zinc/71/96/92/1028719692.db2.gz XACLSVTUCVCLMV-RVKKMQEKSA-N 1 0 320.433 3.567 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H](C)O ZINC000449543966 1028758250 /nfs/dbraw/zinc/75/82/50/1028758250.db2.gz PLYBTIVEEDRAQS-ABAIWWIYSA-N 1 0 320.414 3.572 20 5 DHBDRO Cc1cc(N(C)CCCOC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000566966592 1028813096 /nfs/dbraw/zinc/81/30/96/1028813096.db2.gz UWCXVAIOHHRIBE-UHFFFAOYSA-N 1 0 317.389 3.703 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000449624652 1028860626 /nfs/dbraw/zinc/86/06/26/1028860626.db2.gz NQPYTXMABBXZGP-UKRRQHHQSA-N 1 0 318.398 3.666 20 5 DHBDRO Cc1cc(NCCCCC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000568536289 1029086815 /nfs/dbraw/zinc/08/68/15/1029086815.db2.gz JUZIEGGUCQWOQV-UHFFFAOYSA-N 1 0 309.385 3.720 20 5 DHBDRO COC1([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000817579719 1029209969 /nfs/dbraw/zinc/20/99/69/1029209969.db2.gz DQFAPRZDJMIBHU-LLVKDONJSA-N 1 0 312.797 3.686 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000569314534 1029219789 /nfs/dbraw/zinc/21/97/89/1029219789.db2.gz BRFKLKUTHNHZLA-UHFFFAOYSA-N 1 0 300.358 3.542 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(Cl)c1 ZINC000570088385 1029310970 /nfs/dbraw/zinc/31/09/70/1029310970.db2.gz FLMLGWOGQQZFAQ-ZDUSSCGKSA-N 1 0 317.776 3.633 20 5 DHBDRO C[C@@H]([NH3+])CCNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001170890749 1029350619 /nfs/dbraw/zinc/35/06/19/1029350619.db2.gz GKZMFOWBEAVPTB-GFCCVEGCSA-N 1 0 317.414 3.895 20 5 DHBDRO C[C@H](CC1CCCCC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819269182 1029527094 /nfs/dbraw/zinc/52/70/94/1029527094.db2.gz DNFPDOGXSHLQLT-CXAGYDPISA-N 1 0 306.406 3.577 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000129987370 1029719029 /nfs/dbraw/zinc/71/90/29/1029719029.db2.gz HHWVTDWRFZFMFB-HNNXBMFYSA-N 1 0 318.417 3.719 20 5 DHBDRO CCC[N@@H+]1CC[C@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000820633205 1029749057 /nfs/dbraw/zinc/74/90/57/1029749057.db2.gz ABJRXGVBARNZGC-SNVBAGLBSA-N 1 0 315.776 3.531 20 5 DHBDRO CC(C)N1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451101744 1029795560 /nfs/dbraw/zinc/79/55/60/1029795560.db2.gz FVAFFHPQAIBSCP-YOEHRIQHSA-N 1 0 305.422 3.508 20 5 DHBDRO CCC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000451442718 1029875153 /nfs/dbraw/zinc/87/51/53/1029875153.db2.gz XBIWXSJOGLYLBJ-HNNXBMFYSA-N 1 0 321.421 3.646 20 5 DHBDRO CSCC1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000295831374 1029880240 /nfs/dbraw/zinc/88/02/40/1029880240.db2.gz VJWQEPVYKKEEHI-UHFFFAOYSA-N 1 0 308.447 3.649 20 5 DHBDRO Cc1cccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548795 1029911740 /nfs/dbraw/zinc/91/17/40/1029911740.db2.gz OLHXVDVICNBMIW-INIZCTEOSA-N 1 0 311.385 3.678 20 5 DHBDRO C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547179 1029912685 /nfs/dbraw/zinc/91/26/85/1029912685.db2.gz KMHICDFBWBYUJH-RHSMWYFYSA-N 1 0 311.385 3.930 20 5 DHBDRO C[C@@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467839113 1029975281 /nfs/dbraw/zinc/97/52/81/1029975281.db2.gz MXKNJYRWWLRGKE-LSDHHAIUSA-N 1 0 319.449 3.756 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451966816 1030074140 /nfs/dbraw/zinc/07/41/40/1030074140.db2.gz POUKIVDFJDMIJO-XJKSGUPXSA-N 1 0 306.431 3.875 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCc3cccc(C)c32)cc1[N+](=O)[O-] ZINC000924842622 1030204256 /nfs/dbraw/zinc/20/42/56/1030204256.db2.gz SJTNYLDVDRXVRT-HNNXBMFYSA-N 1 0 312.369 3.689 20 5 DHBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866288648 1030205786 /nfs/dbraw/zinc/20/57/86/1030205786.db2.gz JPVYJZVCGTVESG-QWHCGFSZSA-N 1 0 317.364 3.719 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(C(F)(F)F)CC1 ZINC000866357516 1030251484 /nfs/dbraw/zinc/25/14/84/1030251484.db2.gz ICNAFOKDTCXRNW-SECBINFHSA-N 1 0 320.286 3.597 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000866507734 1030332651 /nfs/dbraw/zinc/33/26/51/1030332651.db2.gz GUYUSYYMCORTFJ-QANKJYHBSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](c2cccnc2)C2CCC2)cc1[N+](=O)[O-] ZINC000866540331 1030360454 /nfs/dbraw/zinc/36/04/54/1030360454.db2.gz LIWGTKDLHSHIGI-SFHVURJKSA-N 1 0 311.385 3.929 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000925468078 1030370737 /nfs/dbraw/zinc/37/07/37/1030370737.db2.gz YOPXBMUNDVLCMD-ZXFUBFMLSA-N 1 0 320.458 3.934 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866581961 1030387699 /nfs/dbraw/zinc/38/76/99/1030387699.db2.gz FSVRMSWERXEPSO-IHRRRGAJSA-N 1 0 306.431 3.649 20 5 DHBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805839043 1030395343 /nfs/dbraw/zinc/39/53/43/1030395343.db2.gz NGTCJWRPZMQRKN-FRFSOERESA-N 1 0 320.433 3.775 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000558257272 1030504053 /nfs/dbraw/zinc/50/40/53/1030504053.db2.gz YARGJOULRRTPFA-KGLIPLIRSA-N 1 0 314.307 3.892 20 5 DHBDRO CC(C)([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000291801784 1030650216 /nfs/dbraw/zinc/65/02/16/1030650216.db2.gz XJENRTJISNBGNO-UHFFFAOYSA-N 1 0 306.312 3.898 20 5 DHBDRO Cc1ccc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000824964506 1030670426 /nfs/dbraw/zinc/67/04/26/1030670426.db2.gz ZRIUOYQDMHXBCJ-ZDUSSCGKSA-N 1 0 317.216 3.967 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)c2cc(O)cc(F)c2)cccc1[N+](=O)[O-] ZINC000926269593 1030680483 /nfs/dbraw/zinc/68/04/83/1030680483.db2.gz NHFKIQXVRQZSHU-LLVKDONJSA-N 1 0 304.321 3.599 20 5 DHBDRO CCOc1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558735330 1030758284 /nfs/dbraw/zinc/75/82/84/1030758284.db2.gz LVUCVHQEDVVQFQ-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO CCCCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000359329686 1030910722 /nfs/dbraw/zinc/91/07/22/1030910722.db2.gz JBLQOJVBDHSSIL-ZDUSSCGKSA-N 1 0 316.405 3.751 20 5 DHBDRO CC[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000359369841 1030933186 /nfs/dbraw/zinc/93/31/86/1030933186.db2.gz LHAFVNKUROZSCK-QGZVFWFLSA-N 1 0 319.449 3.900 20 5 DHBDRO CC[C@@H](C)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122991036 1030937283 /nfs/dbraw/zinc/93/72/83/1030937283.db2.gz JKJQMXTXUCHYKX-SECBINFHSA-N 1 0 301.184 3.588 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)n1 ZINC000926891219 1030973417 /nfs/dbraw/zinc/97/34/17/1030973417.db2.gz HLHVBEYILRMPEU-DOMZBBRYSA-N 1 0 315.373 3.800 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000926894299 1030973843 /nfs/dbraw/zinc/97/38/43/1030973843.db2.gz XOCITYKSQJGUGG-OLZOCXBDSA-N 1 0 314.389 3.928 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000269981549 1030988519 /nfs/dbraw/zinc/98/85/19/1030988519.db2.gz RBXQBSIVHFHBKC-GUDXXQAFSA-N 1 0 316.401 3.593 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926946345 1031009881 /nfs/dbraw/zinc/00/98/81/1031009881.db2.gz TUTOJNDWMBWNRY-HRDYMLBCSA-N 1 0 306.259 3.583 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000927018165 1031035532 /nfs/dbraw/zinc/03/55/32/1031035532.db2.gz OLNODZDUSMEZLS-BBRMVZONSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000927068039 1031067179 /nfs/dbraw/zinc/06/71/79/1031067179.db2.gz QCUKYCIGVOVWFB-PLQHRBFRSA-N 1 0 322.380 3.590 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000927068168 1031067249 /nfs/dbraw/zinc/06/72/49/1031067249.db2.gz FIUDAUZZGHDDQN-JCKWVBRZSA-N 1 0 318.417 3.759 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000927099683 1031088495 /nfs/dbraw/zinc/08/84/95/1031088495.db2.gz DOYGAAMWCCVJHD-OCCSQVGLSA-N 1 0 306.406 3.839 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@]2(CC2(F)F)C1 ZINC000844440170 1031142712 /nfs/dbraw/zinc/14/27/12/1031142712.db2.gz QXTGTXOJVWDMJH-ZDUSSCGKSA-N 1 0 316.735 3.869 20 5 DHBDRO C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000844631096 1031259904 /nfs/dbraw/zinc/25/99/04/1031259904.db2.gz MNFRMKQLYJAGSX-GDLCADMTSA-N 1 0 300.761 3.950 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)CC2 ZINC000536677282 1031385622 /nfs/dbraw/zinc/38/56/22/1031385622.db2.gz IKIBCHOMUBJWHX-PKOBYXMFSA-N 1 0 308.381 3.757 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cccnc1 ZINC000872020112 1031402846 /nfs/dbraw/zinc/40/28/46/1031402846.db2.gz CZRFHAYGJQNMAV-LBPRGKRZSA-N 1 0 317.414 3.605 20 5 DHBDRO CC(C)C[NH+]1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872021995 1031405170 /nfs/dbraw/zinc/40/51/70/1031405170.db2.gz VBWFMIPGIIYWPU-CYBMUJFWSA-N 1 0 323.412 3.505 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037721 1031421852 /nfs/dbraw/zinc/42/18/52/1031421852.db2.gz FNZGXYRMUHSJMK-TZCMFKBTSA-N 1 0 322.380 3.588 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000872043236 1031427720 /nfs/dbraw/zinc/42/77/20/1031427720.db2.gz HSAWHZXCJDTBBA-AVGNSLFASA-N 1 0 324.446 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000872042611 1031427857 /nfs/dbraw/zinc/42/78/57/1031427857.db2.gz CJLJCRWXBNMQMH-AVGNSLFASA-N 1 0 324.446 3.782 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047992 1031435605 /nfs/dbraw/zinc/43/56/05/1031435605.db2.gz FVKLPIZELAIZOQ-QWHCGFSZSA-N 1 0 322.380 3.876 20 5 DHBDRO COCCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872051107 1031438488 /nfs/dbraw/zinc/43/84/88/1031438488.db2.gz FZTYQIGICXLWBN-GFCCVEGCSA-N 1 0 324.446 3.784 20 5 DHBDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872049806 1031438757 /nfs/dbraw/zinc/43/87/57/1031438757.db2.gz VDUUYCVAKKWYJM-AAEUAGOBSA-N 1 0 312.435 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000872053798 1031443043 /nfs/dbraw/zinc/44/30/43/1031443043.db2.gz NDVSCBAYUDLSNA-SDDRHHMPSA-N 1 0 310.419 3.535 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC1CCC1 ZINC000872055230 1031444668 /nfs/dbraw/zinc/44/46/68/1031444668.db2.gz GOKMQJCGABFTLX-LLVKDONJSA-N 1 0 310.419 3.536 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000536842985 1031454035 /nfs/dbraw/zinc/45/40/35/1031454035.db2.gz BYRMKGSJSPSWKY-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO CSCCCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062289 1031456311 /nfs/dbraw/zinc/45/63/11/1031456311.db2.gz FVLOTGUAOQWDQW-NSHDSACASA-N 1 0 300.399 3.918 20 5 DHBDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063702 1031458048 /nfs/dbraw/zinc/45/80/48/1031458048.db2.gz SENPGLLNJMRRHC-GOPGUHFVSA-N 1 0 322.380 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000872066700 1031462628 /nfs/dbraw/zinc/46/26/28/1031462628.db2.gz KBUIDPKEWWLXKK-QWRGUYRKSA-N 1 0 312.460 3.720 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CC1CCC1 ZINC000872070255 1031464763 /nfs/dbraw/zinc/46/47/63/1031464763.db2.gz YHDQOXRVCLZGLE-DGCLKSJQSA-N 1 0 324.446 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000872071108 1031467717 /nfs/dbraw/zinc/46/77/17/1031467717.db2.gz KPDWUQOVUUWXRZ-RWMBFGLXSA-N 1 0 324.446 3.640 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnccc1C ZINC000872076925 1031473486 /nfs/dbraw/zinc/47/34/86/1031473486.db2.gz VONZZLUQXFJVDG-LBPRGKRZSA-N 1 0 317.414 3.871 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077890 1031473581 /nfs/dbraw/zinc/47/35/81/1031473581.db2.gz NGFLHZJBGAJIOK-NWDGAFQWSA-N 1 0 310.369 3.590 20 5 DHBDRO C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872083891 1031478826 /nfs/dbraw/zinc/47/88/26/1031478826.db2.gz BXCOQWATXMORPP-ZANVPECISA-N 1 0 302.296 3.820 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083089 1031479109 /nfs/dbraw/zinc/47/91/09/1031479109.db2.gz GXDJLZSVFQJMFV-UXEPBGEESA-N 1 0 322.380 3.732 20 5 DHBDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872092019 1031488074 /nfs/dbraw/zinc/48/80/74/1031488074.db2.gz MCZFCSHEGYXSLG-NEPJUHHUSA-N 1 0 312.435 3.518 20 5 DHBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872096005 1031490023 /nfs/dbraw/zinc/49/00/23/1031490023.db2.gz XPBHFDHWRWRBBF-GRYCIOLGSA-N 1 0 312.435 3.517 20 5 DHBDRO COCC(C)(C)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000872104760 1031494190 /nfs/dbraw/zinc/49/41/90/1031494190.db2.gz OSNOVBADIGPJKW-INIZCTEOSA-N 1 0 306.406 3.625 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000872260148 1031565644 /nfs/dbraw/zinc/56/56/44/1031565644.db2.gz JJTMQFUQFCBHEN-QGZVFWFLSA-N 1 0 318.417 3.827 20 5 DHBDRO CCc1nc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000360931707 1031629697 /nfs/dbraw/zinc/62/96/97/1031629697.db2.gz WJQKOYPROQZCTQ-NSHDSACASA-N 1 0 319.430 3.815 20 5 DHBDRO CC[C@H](CSC)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000124328068 1031685776 /nfs/dbraw/zinc/68/57/76/1031685776.db2.gz WCCGJGJBUJUTGZ-LLVKDONJSA-N 1 0 302.827 3.822 20 5 DHBDRO COc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1F ZINC000873008855 1031689548 /nfs/dbraw/zinc/68/95/48/1031689548.db2.gz QNMTUOOOHPDPJF-UHFFFAOYSA-N 1 0 318.348 3.649 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc(N(C)C)c1 ZINC000873041324 1031699578 /nfs/dbraw/zinc/69/95/78/1031699578.db2.gz GHOFYPPNJWIONA-UHFFFAOYSA-N 1 0 313.401 3.567 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943287 1031712517 /nfs/dbraw/zinc/71/25/17/1031712517.db2.gz YTNCNTCLVMQOSO-QLJPJBMISA-N 1 0 315.348 3.654 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000873105771 1031713418 /nfs/dbraw/zinc/71/34/18/1031713418.db2.gz AZKRQVZYGVMZOJ-ROUUACIJSA-N 1 0 318.417 3.506 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)cc1 ZINC000846103244 1031875678 /nfs/dbraw/zinc/87/56/78/1031875678.db2.gz UVLBSWXUULSTPR-NSHDSACASA-N 1 0 303.189 3.658 20 5 DHBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[C@@H](C)C1 ZINC000361639570 1032027806 /nfs/dbraw/zinc/02/78/06/1032027806.db2.gz PIDQTGAZIPKYDX-CZUORRHYSA-N 1 0 306.406 3.540 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000361678233 1032049788 /nfs/dbraw/zinc/04/97/88/1032049788.db2.gz PHYUKAGANUGIEZ-PBHICJAKSA-N 1 0 314.385 3.678 20 5 DHBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000539337445 1033325195 /nfs/dbraw/zinc/32/51/95/1033325195.db2.gz RSTOIQBEJVFXCY-UHFFFAOYSA-N 1 0 320.339 3.940 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000927029723 1033344102 /nfs/dbraw/zinc/34/41/02/1033344102.db2.gz FCXKQLHLAUKUTK-DYEKYZERSA-N 1 0 324.446 3.928 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)O1 ZINC000877681274 1033410433 /nfs/dbraw/zinc/41/04/33/1033410433.db2.gz FVLFXVPPGGUZQL-RGNHYFCHSA-N 1 0 319.188 3.557 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1Cl ZINC000877711063 1033420260 /nfs/dbraw/zinc/42/02/60/1033420260.db2.gz VRKOHQJQZIRVDJ-XJKSGUPXSA-N 1 0 324.808 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccsc1)CC2 ZINC001172897308 1033435410 /nfs/dbraw/zinc/43/54/10/1033435410.db2.gz YVJFZDMRJOUWSW-HNNXBMFYSA-N 1 0 302.399 3.694 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)CC2 ZINC001172897182 1033435575 /nfs/dbraw/zinc/43/55/75/1033435575.db2.gz XXAIAGXDKVGXNQ-DOMZBBRYSA-N 1 0 324.371 3.867 20 5 DHBDRO C[C@]1(F)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1F ZINC001172905816 1033438008 /nfs/dbraw/zinc/43/80/08/1033438008.db2.gz UUHYVNNSNZLTPG-UAGQMJEPSA-N 1 0 324.371 3.614 20 5 DHBDRO C[C@]1(CF)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906703 1033438137 /nfs/dbraw/zinc/43/81/37/1033438137.db2.gz YAYJPEFNKBWDMG-NVXWUHKLSA-N 1 0 306.381 3.524 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCCC(F)(F)CC1)CC2 ZINC001172907699 1033440047 /nfs/dbraw/zinc/44/00/47/1033440047.db2.gz HQSYPYZTDKKNEK-OAHLLOKOSA-N 1 0 324.371 3.963 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C[C@@H]3CCCC[C@H]3C1)CC2 ZINC001172908741 1033440711 /nfs/dbraw/zinc/44/07/11/1033440711.db2.gz NDOBHGNAYSJWSW-OKZBNKHCSA-N 1 0 314.429 3.964 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(F)cc1)CC2 ZINC001172896216 1033461522 /nfs/dbraw/zinc/46/15/22/1033461522.db2.gz BMNMTHMFQOBSRA-QGZVFWFLSA-N 1 0 314.360 3.771 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+](CC1CC1)C1CC1)CC2 ZINC001172913945 1033462488 /nfs/dbraw/zinc/46/24/88/1033462488.db2.gz WIUJJGBDNZILAJ-MRXNPFEDSA-N 1 0 300.402 3.717 20 5 DHBDRO Cc1ccccc1CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895423 1033462746 /nfs/dbraw/zinc/46/27/46/1033462746.db2.gz DBDCZAQZUTUJIT-LJQANCHMSA-N 1 0 324.424 3.983 20 5 DHBDRO C[N@H+](C[C@@H]1CC1(C)C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919235 1033466193 /nfs/dbraw/zinc/46/61/93/1033466193.db2.gz FJXYRRBBRXOCFG-JKSUJKDBSA-N 1 0 302.418 3.820 20 5 DHBDRO C[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C2(CC2)C1 ZINC001172918753 1033466419 /nfs/dbraw/zinc/46/64/19/1033466419.db2.gz CGCMWBQZKUWBKF-CJNGLKHVSA-N 1 0 300.402 3.717 20 5 DHBDRO C[C@@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C2(CC2)C1 ZINC001172918752 1033467313 /nfs/dbraw/zinc/46/73/13/1033467313.db2.gz CGCMWBQZKUWBKF-BBRMVZONSA-N 1 0 300.402 3.717 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2[C@@H](C)CCC[C@@H]2C)c1F ZINC001173181059 1033581982 /nfs/dbraw/zinc/58/19/82/1033581982.db2.gz BGMKATIQIJKQHN-AVGNSLFASA-N 1 0 324.396 3.936 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC23CCCC3)c1F ZINC001173183011 1033585165 /nfs/dbraw/zinc/58/51/65/1033585165.db2.gz VPSYYGLQDONURR-LBPRGKRZSA-N 1 0 322.380 3.692 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CC2CCCC2)c1F ZINC001173195931 1033587635 /nfs/dbraw/zinc/58/76/35/1033587635.db2.gz KDHSCSSIUBPEMY-GFCCVEGCSA-N 1 0 324.396 3.796 20 5 DHBDRO CC[C@H]1CCC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173197364 1033590541 /nfs/dbraw/zinc/59/05/41/1033590541.db2.gz UNLUWAYDNLZKMY-OLZOCXBDSA-N 1 0 324.396 3.796 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215219 1033597210 /nfs/dbraw/zinc/59/72/10/1033597210.db2.gz UJZGEXQUUQWTOU-KGLIPLIRSA-N 1 0 316.376 3.886 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(F)c1F ZINC001173219236 1033600085 /nfs/dbraw/zinc/60/00/85/1033600085.db2.gz ZRUURBXRDACQLE-LLVKDONJSA-N 1 0 306.312 3.594 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1cccnc1)C1CC1 ZINC001173220095 1033600770 /nfs/dbraw/zinc/60/07/70/1033600770.db2.gz TYUZTSDYEFGVSF-ACJLOTCBSA-N 1 0 311.385 3.662 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2ccncc21 ZINC001173219916 1033600884 /nfs/dbraw/zinc/60/08/84/1033600884.db2.gz RBNHKIQSTQYHNV-AWEZNQCLSA-N 1 0 321.380 3.864 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(F)c1F ZINC001173218868 1033600958 /nfs/dbraw/zinc/60/09/58/1033600958.db2.gz RYLQFAWIGZZELU-GFCCVEGCSA-N 1 0 320.339 3.902 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001173224249 1033602253 /nfs/dbraw/zinc/60/22/53/1033602253.db2.gz DDMOHYXSQJCQOK-FZMZJTMJSA-N 1 0 316.323 3.595 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccccc2C1 ZINC001173221789 1033603182 /nfs/dbraw/zinc/60/31/82/1033603182.db2.gz PVENXLZRZZTPOH-KDOFPFPSSA-N 1 0 310.397 3.673 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001173224952 1033603963 /nfs/dbraw/zinc/60/39/63/1033603963.db2.gz POSSYEGONOWXLA-PBHICJAKSA-N 1 0 310.397 3.845 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)Cc1ccncc1 ZINC001173223207 1033604062 /nfs/dbraw/zinc/60/40/62/1033604062.db2.gz HACHSZVNJAJUMQ-AWEZNQCLSA-N 1 0 313.401 3.532 20 5 DHBDRO Cc1cccc2c1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173230410 1033606075 /nfs/dbraw/zinc/60/60/75/1033606075.db2.gz XXJZBFWGCWHQLH-HNNXBMFYSA-N 1 0 310.397 3.893 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCc2ccccc2C1 ZINC001173226816 1033606110 /nfs/dbraw/zinc/60/61/10/1033606110.db2.gz LQWOXPBKSWVTPW-OAHLLOKOSA-N 1 0 310.397 3.974 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCc2ccccc2CC1 ZINC001173226063 1033606433 /nfs/dbraw/zinc/60/64/33/1033606433.db2.gz HIGRYSMCLJBHBY-OAHLLOKOSA-N 1 0 310.397 3.627 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccccc1F ZINC001173232665 1033609109 /nfs/dbraw/zinc/60/91/09/1033609109.db2.gz SEKRMFMHRYHEOM-CQSZACIVSA-N 1 0 316.376 3.839 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CF)c1ccccc1 ZINC001173231581 1033609371 /nfs/dbraw/zinc/60/93/71/1033609371.db2.gz AYJSSMCSABWYGE-CXAGYDPISA-N 1 0 302.349 3.826 20 5 DHBDRO Cc1csc([C@@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173212584 1033615188 /nfs/dbraw/zinc/61/51/88/1033615188.db2.gz BEOQZDUAHJDZAU-CMPLNLGQSA-N 1 0 305.403 3.642 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc2ccccc2cn1 ZINC001173214646 1033616558 /nfs/dbraw/zinc/61/65/58/1033616558.db2.gz DEIPEGVAXOHJAF-AWEZNQCLSA-N 1 0 321.380 3.864 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000479482772 1033771768 /nfs/dbraw/zinc/77/17/68/1033771768.db2.gz CJKIZWLPHTUYTN-PBHICJAKSA-N 1 0 320.433 3.885 20 5 DHBDRO CCC(CC)[N@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878623409 1033774218 /nfs/dbraw/zinc/77/42/18/1033774218.db2.gz MVRGYCBDWVKSGX-UHFFFAOYSA-N 1 0 318.377 3.655 20 5 DHBDRO CC(C)([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000878644414 1033780237 /nfs/dbraw/zinc/78/02/37/1033780237.db2.gz YXMCJEJBMIMMAT-CYBMUJFWSA-N 1 0 304.390 3.521 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266041293 1033906603 /nfs/dbraw/zinc/90/66/03/1033906603.db2.gz VYCLQCGVLDEYIU-CQSZACIVSA-N 1 0 304.390 3.548 20 5 DHBDRO CCOc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178648813 1034256449 /nfs/dbraw/zinc/25/64/49/1034256449.db2.gz XZCTVAZFZGEWND-CYBMUJFWSA-N 1 0 300.358 3.844 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000179121310 1034284582 /nfs/dbraw/zinc/28/45/82/1034284582.db2.gz MUZYBFFQGRECKX-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880313431 1034291144 /nfs/dbraw/zinc/29/11/44/1034291144.db2.gz AOTWRBKIPQUURG-WCQYABFASA-N 1 0 303.387 3.602 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCCCO2)CC1 ZINC000880453768 1034334552 /nfs/dbraw/zinc/33/45/52/1034334552.db2.gz RAOQQXFGIOCCPQ-CQSZACIVSA-N 1 0 304.390 3.691 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880465336 1034339052 /nfs/dbraw/zinc/33/90/52/1034339052.db2.gz CGQJRHXVAVZDGT-GXTWGEPZSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@@H](C[NH+]1CCCCCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000480699959 1034412035 /nfs/dbraw/zinc/41/20/35/1034412035.db2.gz QEMKHQOXWYIYNX-GJZGRUSLSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1c(C[NH2+]C[C@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000323531078 1034570167 /nfs/dbraw/zinc/57/01/67/1034570167.db2.gz WXGNAPYXQVEAJO-OAHLLOKOSA-N 1 0 312.369 3.559 20 5 DHBDRO COc1cc(C[NH2+][C@H]2CCCCC2(C)C)c([N+](=O)[O-])cc1F ZINC000481182015 1034635338 /nfs/dbraw/zinc/63/53/38/1034635338.db2.gz ONZOFXLCZHUUIR-HNNXBMFYSA-N 1 0 310.369 3.801 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000186571556 1034645027 /nfs/dbraw/zinc/64/50/27/1034645027.db2.gz VKJVZICMVSAFHE-CMPLNLGQSA-N 1 0 305.403 3.814 20 5 DHBDRO Cc1c([C@@H](C)NCC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000481408872 1034820718 /nfs/dbraw/zinc/82/07/18/1034820718.db2.gz VIWSLCMCWMVAJE-OAHLLOKOSA-N 1 0 319.449 3.818 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000193049424 1034829727 /nfs/dbraw/zinc/82/97/27/1034829727.db2.gz MJQMJMKSCHXVHL-CZUORRHYSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000193285206 1034838708 /nfs/dbraw/zinc/83/87/08/1034838708.db2.gz HWHPGCPJMACFKL-XHDPSFHLSA-N 1 0 317.414 3.822 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000481722486 1034952015 /nfs/dbraw/zinc/95/20/15/1034952015.db2.gz ZVEJPTGKRPNVEG-DOTOQJQBSA-N 1 0 306.406 3.587 20 5 DHBDRO CCC[NH+](CCC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159413465 1035048846 /nfs/dbraw/zinc/04/88/46/1035048846.db2.gz DSCDTTJSNKYFOD-UHFFFAOYSA-N 1 0 315.211 3.979 20 5 DHBDRO CSCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237509280 1035091329 /nfs/dbraw/zinc/09/13/29/1035091329.db2.gz XCYSYNZPHWSBPG-UHFFFAOYSA-N 1 0 308.428 3.776 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCN2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000482627045 1035149049 /nfs/dbraw/zinc/14/90/49/1035149049.db2.gz GRGBGVUPQOVPRP-IJEWVQPXSA-N 1 0 319.449 3.817 20 5 DHBDRO Nc1c2cccnc2c2ncccc2c1Nc1ccc(C[NH3+])cc1 ZINC001175971142 1035170462 /nfs/dbraw/zinc/17/04/62/1035170462.db2.gz CSTOLLWHRNCDSZ-UHFFFAOYSA-N 1 0 315.380 3.568 20 5 DHBDRO C[N+](C)(C)CCCO[C@@H]1CCc2cc(Br)ccc21 ZINC001224620083 1035179346 /nfs/dbraw/zinc/17/93/46/1035179346.db2.gz TTYUBNGVSCCUFO-OAHLLOKOSA-N 1 0 313.259 3.549 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSCC[C@@H]1C ZINC000483424817 1035268137 /nfs/dbraw/zinc/26/81/37/1035268137.db2.gz GEYUGRNJRNYPMM-ZVHGMHCTSA-N 1 0 306.431 3.826 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1csc(C)c1C ZINC001203352777 1035354449 /nfs/dbraw/zinc/35/44/49/1035354449.db2.gz YZRQFHXGJUNYJV-UHFFFAOYSA-N 1 0 320.414 3.962 20 5 DHBDRO CC[C@@H](CSC)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000773707369 1035391396 /nfs/dbraw/zinc/39/13/96/1035391396.db2.gz NYNFYGCXMDFTRS-LBPRGKRZSA-N 1 0 302.827 3.822 20 5 DHBDRO CO[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC(C)C ZINC001178978381 1035456366 /nfs/dbraw/zinc/45/63/66/1035456366.db2.gz WGVVPNQWPCJKAT-RKCSUWQLSA-N 1 0 306.406 3.649 20 5 DHBDRO CO[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001179243526 1035471404 /nfs/dbraw/zinc/47/14/04/1035471404.db2.gz QDGADGJZAZDFGG-PMXLPMHFSA-N 1 0 318.417 3.793 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC001179425589 1035478740 /nfs/dbraw/zinc/47/87/40/1035478740.db2.gz MSIJNQUWXVMMPT-VXGBXAGGSA-N 1 0 302.296 3.759 20 5 DHBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C ZINC001193413513 1035632254 /nfs/dbraw/zinc/63/22/54/1035632254.db2.gz OBXDTOQRCIHZPM-PBHICJAKSA-N 1 0 306.406 3.874 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCCCCC3)co2)cc1 ZINC000089884011 1035758315 /nfs/dbraw/zinc/75/83/15/1035758315.db2.gz ILMDIJBHVVTNAD-UHFFFAOYSA-N 1 0 301.346 3.626 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494704450 1035772086 /nfs/dbraw/zinc/77/20/86/1035772086.db2.gz SEGYXWUZEQTRMZ-RHSMWYFYSA-N 1 0 318.417 3.855 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000539655361 1035810473 /nfs/dbraw/zinc/81/04/73/1035810473.db2.gz RLIFMUQWEZKSRB-BBRMVZONSA-N 1 0 300.402 3.838 20 5 DHBDRO Cn1c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc2ccccc21 ZINC001181154906 1035853241 /nfs/dbraw/zinc/85/32/41/1035853241.db2.gz WQQORDITKOEFRE-UHFFFAOYSA-N 1 0 323.396 3.761 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000193023819 1035865099 /nfs/dbraw/zinc/86/50/99/1035865099.db2.gz JTIDENHKBJOLBK-JKSUJKDBSA-N 1 0 317.389 3.531 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)cc(C(F)(F)F)c1 ZINC001181418027 1035905791 /nfs/dbraw/zinc/90/57/91/1035905791.db2.gz HTEUWZGHOLRENO-BPNCWPANSA-N 1 0 314.307 3.892 20 5 DHBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001181754041 1035980525 /nfs/dbraw/zinc/98/05/25/1035980525.db2.gz WDKJTVYLRGZGCE-KOLCDFICSA-N 1 0 302.296 3.749 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000540169419 1035991629 /nfs/dbraw/zinc/99/16/29/1035991629.db2.gz SSQUIZFWZDWOOG-CYBMUJFWSA-N 1 0 300.358 3.502 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC000540434284 1036071220 /nfs/dbraw/zinc/07/12/20/1036071220.db2.gz IKMXMBNUDJUTGV-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO CC1(C)C[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000540599975 1036112387 /nfs/dbraw/zinc/11/23/87/1036112387.db2.gz XBCCZFYVDUZIFG-GFCCVEGCSA-N 1 0 317.414 3.854 20 5 DHBDRO Cc1c(C[NH+]2CCC(OCCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000193106373 1036152775 /nfs/dbraw/zinc/15/27/75/1036152775.db2.gz XZBSUEZTMIRTLK-UHFFFAOYSA-N 1 0 320.433 3.930 20 5 DHBDRO C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774114998 1036157514 /nfs/dbraw/zinc/15/75/14/1036157514.db2.gz JFFXGUSHSXKJCA-YVEFUNNKSA-N 1 0 300.358 3.786 20 5 DHBDRO CCC[C@H]([NH2+]CC1(C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000271489370 1036259665 /nfs/dbraw/zinc/25/96/65/1036259665.db2.gz LRAFLMNAJRIUOA-INIZCTEOSA-N 1 0 306.406 3.842 20 5 DHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000774520038 1036394177 /nfs/dbraw/zinc/39/41/77/1036394177.db2.gz YGHDFOMULAJOAR-MJBXVCDLSA-N 1 0 321.396 3.576 20 5 DHBDRO CCC(C)(C)[NH+]1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001182634998 1036405256 /nfs/dbraw/zinc/40/52/56/1036405256.db2.gz VFYPKZRWYXHSLN-UHFFFAOYSA-N 1 0 319.449 3.518 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C2CCCCC2)C1 ZINC000541717948 1036407660 /nfs/dbraw/zinc/40/76/60/1036407660.db2.gz KJASUFWORMZBPY-KSSFIOAISA-N 1 0 318.417 3.937 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCOc1ccc(F)cc1 ZINC000541773867 1036428447 /nfs/dbraw/zinc/42/84/47/1036428447.db2.gz DHODOVRYEFDBCQ-UHFFFAOYSA-N 1 0 318.348 3.553 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(O)c(F)c2)cc1[N+](=O)[O-] ZINC000153416862 1036466069 /nfs/dbraw/zinc/46/60/69/1036466069.db2.gz WBMJZRYMNYJBDO-NSHDSACASA-N 1 0 304.321 3.599 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CCCCO1)CCC2 ZINC000193288237 1036481576 /nfs/dbraw/zinc/48/15/76/1036481576.db2.gz SLDULBASLSCBSW-AEFFLSMTSA-N 1 0 318.417 3.911 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCC[N@H+](C2CC2)C2CCCC2)cc1 ZINC000609144545 1036502938 /nfs/dbraw/zinc/50/29/38/1036502938.db2.gz JFQWKUDIAAWXBL-UHFFFAOYSA-N 1 0 304.390 3.771 20 5 DHBDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000271851053 1036577641 /nfs/dbraw/zinc/57/76/41/1036577641.db2.gz XPFAYEAYTLYHQH-YVEFUNNKSA-N 1 0 312.369 3.942 20 5 DHBDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000271851050 1036581688 /nfs/dbraw/zinc/58/16/88/1036581688.db2.gz XPFAYEAYTLYHQH-SJKOYZFVSA-N 1 0 312.369 3.942 20 5 DHBDRO CC[N@H+](CC(C)C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636713 1036600896 /nfs/dbraw/zinc/60/08/96/1036600896.db2.gz XLUZTKFGLSOLEB-UHFFFAOYSA-N 1 0 310.785 3.533 20 5 DHBDRO C[N@H+](CCCc1cccnc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929863182 1036669294 /nfs/dbraw/zinc/66/92/94/1036669294.db2.gz IBWMSJPLECUTPT-UHFFFAOYSA-N 1 0 319.792 3.708 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271961491 1036756724 /nfs/dbraw/zinc/75/67/24/1036756724.db2.gz DLYDBFAOMWHCIE-FRFSOERESA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000130202715 1036911744 /nfs/dbraw/zinc/91/17/44/1036911744.db2.gz OWNOIINWZXRUME-SDNTUTLCSA-N 1 0 316.401 3.511 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000130202910 1036914664 /nfs/dbraw/zinc/91/46/64/1036914664.db2.gz OWNOIINWZXRUME-QCPWZWHMSA-N 1 0 316.401 3.511 20 5 DHBDRO CCOc1cc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001184839582 1036962592 /nfs/dbraw/zinc/96/25/92/1036962592.db2.gz MAXXGZVVCRLRAV-KBPBESRZSA-N 1 0 321.421 3.526 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000316898508 1037164128 /nfs/dbraw/zinc/16/41/28/1037164128.db2.gz ZBNBRYCPECSUDZ-KMFMINBZSA-N 1 0 305.422 3.508 20 5 DHBDRO CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774903865 1037195112 /nfs/dbraw/zinc/19/51/12/1037195112.db2.gz ALRZYGQEBMYCJX-LBPRGKRZSA-N 1 0 307.350 3.515 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153741373 1037219320 /nfs/dbraw/zinc/21/93/20/1037219320.db2.gz OGVIVYYEYMFGSL-CABCVRRESA-N 1 0 317.433 3.571 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCOC2CCCC2)cc1[N+](=O)[O-] ZINC000153329105 1037252492 /nfs/dbraw/zinc/25/24/92/1037252492.db2.gz VKKKSYYGJHGRPH-CYBMUJFWSA-N 1 0 322.405 3.603 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC001199583175 1037292193 /nfs/dbraw/zinc/29/21/93/1037292193.db2.gz UYRRPMPMHJMPNV-UHFFFAOYSA-N 1 0 316.304 3.965 20 5 DHBDRO O=[N+]([O-])c1ccsc1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001186285578 1037355166 /nfs/dbraw/zinc/35/51/66/1037355166.db2.gz UOCYKTWKERHTDP-CYBMUJFWSA-N 1 0 309.435 3.865 20 5 DHBDRO O=[N+]([O-])c1ccsc1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001186285579 1037356781 /nfs/dbraw/zinc/35/67/81/1037356781.db2.gz UOCYKTWKERHTDP-ZDUSSCGKSA-N 1 0 309.435 3.865 20 5 DHBDRO COC1CCC([N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493333105 1037405113 /nfs/dbraw/zinc/40/51/13/1037405113.db2.gz FABPDRQVUAWPCU-UHFFFAOYSA-N 1 0 312.797 3.638 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234043 1037416465 /nfs/dbraw/zinc/41/64/65/1037416465.db2.gz MFVWKGIENZIQPN-SFHVURJKSA-N 1 0 312.369 3.558 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090774587 1037597505 /nfs/dbraw/zinc/59/75/05/1037597505.db2.gz WPCWVVPFGZYPFJ-RYUDHWBXSA-N 1 0 318.398 3.763 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001187361129 1037619951 /nfs/dbraw/zinc/61/99/51/1037619951.db2.gz GGQCIOSTDGAGJJ-OAHLLOKOSA-N 1 0 321.396 3.943 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@H](C)CC1 ZINC000494137763 1037652041 /nfs/dbraw/zinc/65/20/41/1037652041.db2.gz UCUFPOTZAXICNN-CYBMUJFWSA-N 1 0 324.446 3.709 20 5 DHBDRO CCc1nc(C)c(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)o1 ZINC000494292762 1038041394 /nfs/dbraw/zinc/04/13/94/1038041394.db2.gz IZVHILVWABJMBW-XYOKQWHBSA-N 1 0 315.373 3.647 20 5 DHBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000917040883 1038124735 /nfs/dbraw/zinc/12/47/35/1038124735.db2.gz WJTHIFYHYLLKPJ-AWEZNQCLSA-N 1 0 312.369 3.593 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c(F)c1 ZINC000571776333 1038252791 /nfs/dbraw/zinc/25/27/91/1038252791.db2.gz YIRCWPAIVKNVFC-INIZCTEOSA-N 1 0 316.332 3.520 20 5 DHBDRO CC[C@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000775389825 1038322164 /nfs/dbraw/zinc/32/21/64/1038322164.db2.gz HSECXJNQKBELEL-SFHVURJKSA-N 1 0 314.385 3.889 20 5 DHBDRO C[C@@H]1[C@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000588854693 1038386659 /nfs/dbraw/zinc/38/66/59/1038386659.db2.gz AMPDOGPEJFXCEI-TZMCWYRMSA-N 1 0 317.414 3.731 20 5 DHBDRO C[C@@H](CC1CCC1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959555 1038412575 /nfs/dbraw/zinc/41/25/75/1038412575.db2.gz GMGZPTDJLIWGBX-LBPRGKRZSA-N 1 0 301.390 3.787 20 5 DHBDRO CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000588960895 1038412795 /nfs/dbraw/zinc/41/27/95/1038412795.db2.gz NTGFRWDHSIVWFG-DZGCQCFKSA-N 1 0 307.438 3.674 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000588953975 1038417107 /nfs/dbraw/zinc/41/71/07/1038417107.db2.gz RTFKIXLBVATVAY-PXAZEXFGSA-N 1 0 312.369 3.942 20 5 DHBDRO Cc1ccc(C[NH+]2CCC(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000589196219 1038447727 /nfs/dbraw/zinc/44/77/27/1038447727.db2.gz KWAYOXVVSXNRET-UHFFFAOYSA-N 1 0 311.385 3.678 20 5 DHBDRO CCCC[C@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000589310114 1038462757 /nfs/dbraw/zinc/46/27/57/1038462757.db2.gz LJLPPATWGAPZDO-ZDUSSCGKSA-N 1 0 321.421 3.742 20 5 DHBDRO CCC1(CC)[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001191743971 1038540596 /nfs/dbraw/zinc/54/05/96/1038540596.db2.gz XSWAZFNWUIJSAQ-CVEARBPZSA-N 1 0 306.406 3.620 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590601794 1038675666 /nfs/dbraw/zinc/67/56/66/1038675666.db2.gz QMHUTOLJWFFCFN-GJZGRUSLSA-N 1 0 311.385 3.930 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598679576 1038822775 /nfs/dbraw/zinc/82/27/75/1038822775.db2.gz JZJKGRNXESFINE-JQWIXIFHSA-N 1 0 314.332 3.689 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000591348271 1038835946 /nfs/dbraw/zinc/83/59/46/1038835946.db2.gz JCVDIHHCBUBXHA-HRJSJKBJSA-N 1 0 318.417 3.908 20 5 DHBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000598964756 1038960344 /nfs/dbraw/zinc/96/03/44/1038960344.db2.gz XXOWOICCDYOCIE-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO CS[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593653779 1038965648 /nfs/dbraw/zinc/96/56/48/1038965648.db2.gz JTQWQDZIBBLISP-UVMHCMFPSA-N 1 0 306.431 3.872 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000599015430 1038996540 /nfs/dbraw/zinc/99/65/40/1038996540.db2.gz FISCLLBBCNZBCO-UHFFFAOYSA-N 1 0 324.302 3.989 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C(F)(F)F)CCCC2)c(F)c1 ZINC000599012789 1038998632 /nfs/dbraw/zinc/99/86/32/1038998632.db2.gz CQFYRIOHKYAVJV-UHFFFAOYSA-N 1 0 320.286 3.946 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CC[C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000599059443 1039015553 /nfs/dbraw/zinc/01/55/53/1039015553.db2.gz XIQAPQRHTRYLCV-CXAGYDPISA-N 1 0 318.417 3.724 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593696020 1039085135 /nfs/dbraw/zinc/08/51/35/1039085135.db2.gz ATZGKNJDOWPEGX-XCHKQJEOSA-N 1 0 308.328 3.729 20 5 DHBDRO CC(C)C[C@@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)N(C)C ZINC000603633473 1039095306 /nfs/dbraw/zinc/09/53/06/1039095306.db2.gz NUPUPSYBZYACAO-INIZCTEOSA-N 1 0 321.465 3.784 20 5 DHBDRO CCCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130987 1039124035 /nfs/dbraw/zinc/12/40/35/1039124035.db2.gz NVOSZHOKUCZZHO-WKILWMFISA-N 1 0 306.406 3.500 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3cccc(F)c3)CCC2)c1 ZINC000592144684 1039137561 /nfs/dbraw/zinc/13/75/61/1039137561.db2.gz IKOZGRFISQNNRA-UHFFFAOYSA-N 1 0 300.333 3.903 20 5 DHBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000592380902 1039184993 /nfs/dbraw/zinc/18/49/93/1039184993.db2.gz UKAIXKCOGTXJIL-ABAIWWIYSA-N 1 0 318.398 3.838 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553334 1039213549 /nfs/dbraw/zinc/21/35/49/1039213549.db2.gz PPLGZHNDBKFBIE-OLZOCXBDSA-N 1 0 312.822 3.718 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCC(F)(F)CC3)c2c1 ZINC000592368143 1039358578 /nfs/dbraw/zinc/35/85/78/1039358578.db2.gz WNAHHFXKKQFPNV-UHFFFAOYSA-N 1 0 323.343 3.786 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000574128271 1039413322 /nfs/dbraw/zinc/41/33/22/1039413322.db2.gz PWORGKVDQPSZPP-WDEREUQCSA-N 1 0 309.797 3.594 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000592399029 1039430147 /nfs/dbraw/zinc/43/01/47/1039430147.db2.gz LXFNCWLSGCGBFZ-DARAHFNDSA-N 1 0 320.458 3.790 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000604408764 1039456113 /nfs/dbraw/zinc/45/61/13/1039456113.db2.gz JWWZNDGJYDZUED-CQSZACIVSA-N 1 0 317.414 3.905 20 5 DHBDRO COc1ccccc1C(C)(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000171672792 1039577948 /nfs/dbraw/zinc/57/79/48/1039577948.db2.gz RZVPIVUZANXOSS-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO CCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594502096 1039805010 /nfs/dbraw/zinc/80/50/10/1039805010.db2.gz DOBBRUOSKXVYNJ-QGZVFWFLSA-N 1 0 312.369 3.771 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594512867 1039818273 /nfs/dbraw/zinc/81/82/73/1039818273.db2.gz SFJGSKHTLUCRMK-BZSNNMDCSA-N 1 0 318.417 3.983 20 5 DHBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594521391 1039828782 /nfs/dbraw/zinc/82/87/82/1039828782.db2.gz USXLPLHZTZVWIX-MJWHDNRXSA-N 1 0 304.390 3.545 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594519308 1039828929 /nfs/dbraw/zinc/82/89/29/1039828929.db2.gz JOEQMHTUSGFDFD-ULQDDVLXSA-N 1 0 306.406 3.983 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594519307 1039829965 /nfs/dbraw/zinc/82/99/65/1039829965.db2.gz JOEQMHTUSGFDFD-GVDBMIGSSA-N 1 0 306.406 3.983 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000059394332 1039951547 /nfs/dbraw/zinc/95/15/47/1039951547.db2.gz TZTOMMFMKOSGJE-INIZCTEOSA-N 1 0 321.327 3.588 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@]34C[C@H]3CCC4)cs2)c1 ZINC000594948813 1039961246 /nfs/dbraw/zinc/96/12/46/1039961246.db2.gz AGWUBPMAYMBUSZ-MLGOLLRUSA-N 1 0 315.398 3.751 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000595013105 1039974655 /nfs/dbraw/zinc/97/46/55/1039974655.db2.gz QPPBBSXSDHBCOC-OCCSQVGLSA-N 1 0 312.369 3.594 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)F)nc1 ZINC000595012556 1039974904 /nfs/dbraw/zinc/97/49/04/1039974904.db2.gz DBGGOMYIVOOENB-JTQLQIEISA-N 1 0 307.300 3.778 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000594984492 1039997618 /nfs/dbraw/zinc/99/76/18/1039997618.db2.gz IQGQZIFRKRRDCE-DVDPIYLGSA-N 1 0 304.390 3.545 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](C)C2 ZINC000594983955 1039997979 /nfs/dbraw/zinc/99/79/79/1039997979.db2.gz RZGRWIOFVBQLIC-BZNIZROVSA-N 1 0 302.399 3.988 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC3(CC3(F)F)CC2)c(F)c1 ZINC000594983047 1040001961 /nfs/dbraw/zinc/00/19/61/1040001961.db2.gz KEWHUQWGDPZRDQ-UHFFFAOYSA-N 1 0 314.307 3.792 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000594995024 1040011275 /nfs/dbraw/zinc/01/12/75/1040011275.db2.gz JVSMAVBKMWUVLB-CQSZACIVSA-N 1 0 306.406 3.623 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000595003289 1040015078 /nfs/dbraw/zinc/01/50/78/1040015078.db2.gz GAHSXOIROHGUMV-QWHCGFSZSA-N 1 0 318.373 3.868 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000595007652 1040016825 /nfs/dbraw/zinc/01/68/25/1040016825.db2.gz POENBLGJCHPQLS-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000595055127 1040019997 /nfs/dbraw/zinc/01/99/97/1040019997.db2.gz SWJNHMBQVGECFL-WDEREUQCSA-N 1 0 314.332 3.689 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCCSCC2)cc1 ZINC000595028048 1040036178 /nfs/dbraw/zinc/03/61/78/1040036178.db2.gz SJXCIQSSFXNKOX-HNNXBMFYSA-N 1 0 308.447 3.793 20 5 DHBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595031432 1040040368 /nfs/dbraw/zinc/04/03/68/1040040368.db2.gz GPVYHGUMRSWHSU-UWVGGRQHSA-N 1 0 320.311 3.985 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(C)cs1 ZINC000595042228 1040045904 /nfs/dbraw/zinc/04/59/04/1040045904.db2.gz RFMOKMAHWJHEBJ-LLVKDONJSA-N 1 0 306.387 3.824 20 5 DHBDRO COc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1C ZINC000595101033 1040065891 /nfs/dbraw/zinc/06/58/91/1040065891.db2.gz ALHWLOUWRKIFHF-INIZCTEOSA-N 1 0 312.369 3.689 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000595101948 1040068166 /nfs/dbraw/zinc/06/81/66/1040068166.db2.gz GOKISGJXBVJSFT-SUNYJGFJSA-N 1 0 314.385 3.676 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595108507 1040069279 /nfs/dbraw/zinc/06/92/79/1040069279.db2.gz QUSYFISCOYXQQJ-GOEBONIOSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@@]1(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(F)F ZINC000595082415 1040072733 /nfs/dbraw/zinc/07/27/33/1040072733.db2.gz ZTGNZAMOXTUGFV-GOEBONIOSA-N 1 0 324.371 3.941 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000595087619 1040076626 /nfs/dbraw/zinc/07/66/26/1040076626.db2.gz NGSKVFBEZPKAQQ-RDJZCZTQSA-N 1 0 314.385 3.731 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000595082008 1040076675 /nfs/dbraw/zinc/07/66/75/1040076675.db2.gz WAJRHNPZICDGLB-YGRLFVJLSA-N 1 0 314.332 3.689 20 5 DHBDRO CC1(C)[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1(F)F ZINC000595093188 1040077575 /nfs/dbraw/zinc/07/75/75/1040077575.db2.gz NYOTZHXARSINLF-DZGCQCFKSA-N 1 0 324.371 3.797 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000595091868 1040077924 /nfs/dbraw/zinc/07/79/24/1040077924.db2.gz KIAXOVYWENMIBM-FZMZJTMJSA-N 1 0 312.360 3.797 20 5 DHBDRO Cc1noc(CN(Cc2ccccc2)CC(C)(C)C)c1[N+](=O)[O-] ZINC000595303197 1040105118 /nfs/dbraw/zinc/10/51/18/1040105118.db2.gz NEWFGQAGQXVROV-UHFFFAOYSA-N 1 0 317.389 3.940 20 5 DHBDRO Cc1cc(NC2CC[NH+](CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000063282624 1040170201 /nfs/dbraw/zinc/17/02/01/1040170201.db2.gz LPNNNRMKUAJZSE-UHFFFAOYSA-N 1 0 317.433 3.970 20 5 DHBDRO COc1ccc(C[NH+]2CCC(c3ccco3)CC2)cc1[N+](=O)[O-] ZINC000595619057 1040192829 /nfs/dbraw/zinc/19/28/29/1040192829.db2.gz ZEEKHJFLMOBNSB-UHFFFAOYSA-N 1 0 316.357 3.576 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595756838 1040244233 /nfs/dbraw/zinc/24/42/33/1040244233.db2.gz XTAPUBCHJNWAGF-LLVKDONJSA-N 1 0 300.761 3.820 20 5 DHBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000060044071 1040348390 /nfs/dbraw/zinc/34/83/90/1040348390.db2.gz RNUXFAKREOXKNW-UHFFFAOYSA-N 1 0 317.311 3.511 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000596649140 1040539758 /nfs/dbraw/zinc/53/97/58/1040539758.db2.gz BNWPRBBCMVUYDJ-QZTJIDSGSA-N 1 0 311.385 3.905 20 5 DHBDRO CC(C)([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000608779801 1040611439 /nfs/dbraw/zinc/61/14/39/1040611439.db2.gz RTEPXDSSJYEDRM-UHFFFAOYSA-N 1 0 314.385 3.889 20 5 DHBDRO CC(C)(C)OCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000608836868 1040625604 /nfs/dbraw/zinc/62/56/04/1040625604.db2.gz MCERDCXHEIDFMI-UHFFFAOYSA-N 1 0 318.373 3.760 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174350050 1040630283 /nfs/dbraw/zinc/63/02/83/1040630283.db2.gz GIGGLRIVAARAGA-KBPBESRZSA-N 1 0 312.410 3.840 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000597224045 1040702695 /nfs/dbraw/zinc/70/26/95/1040702695.db2.gz CNHXEGLQNZRTQK-AEFFLSMTSA-N 1 0 318.417 3.684 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000597224047 1040704125 /nfs/dbraw/zinc/70/41/25/1040704125.db2.gz CNHXEGLQNZRTQK-SJLPKXTDSA-N 1 0 318.417 3.684 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CNc3ccccc3C2)cc1[N+](=O)[O-] ZINC000593319777 1040718855 /nfs/dbraw/zinc/71/88/55/1040718855.db2.gz PIUBJURUBKOGAJ-CJNGLKHVSA-N 1 0 311.385 3.591 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCCS1 ZINC000602570893 1041102322 /nfs/dbraw/zinc/10/23/22/1041102322.db2.gz XWSGDQHIEQIYSW-LLVKDONJSA-N 1 0 320.336 3.599 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C34CCC(CC3)CC4)nc2c1 ZINC000602683040 1041161486 /nfs/dbraw/zinc/16/14/86/1041161486.db2.gz OOKWDNWBUPBWDI-UHFFFAOYSA-N 1 0 301.346 3.548 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857967 1041263284 /nfs/dbraw/zinc/26/32/84/1041263284.db2.gz ZNAXGOMQBLNQQG-YOEHRIQHSA-N 1 0 311.385 3.930 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccc(F)cn3)CC2)cc1 ZINC000602904858 1041302007 /nfs/dbraw/zinc/30/20/07/1041302007.db2.gz PVNVVZMGCQOWES-UHFFFAOYSA-N 1 0 315.348 3.509 20 5 DHBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093317016 193229626 /nfs/dbraw/zinc/22/96/26/193229626.db2.gz PZWYHAGZBCAPGU-MRXNPFEDSA-N 1 0 306.406 3.684 20 5 DHBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000042555438 183283704 /nfs/dbraw/zinc/28/37/04/183283704.db2.gz CXVLWZYYBFCGDL-UWVGGRQHSA-N 1 0 315.211 3.882 20 5 DHBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193049015 335041611 /nfs/dbraw/zinc/04/16/11/335041611.db2.gz OFJFNEJXKRPFKS-IRXDYDNUSA-N 1 0 320.433 3.605 20 5 DHBDRO C[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104661270 194023184 /nfs/dbraw/zinc/02/31/84/194023184.db2.gz KMYSCWHONTVEED-CYBMUJFWSA-N 1 0 315.373 3.524 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)COC2 ZINC000271529709 129930781 /nfs/dbraw/zinc/93/07/81/129930781.db2.gz PJSDUXBTNJMVIN-CYBMUJFWSA-N 1 0 312.369 3.518 20 5 DHBDRO COCC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000272645648 130049504 /nfs/dbraw/zinc/04/95/04/130049504.db2.gz ZXDAPYMMIXLJBK-NFBGWVBBSA-N 1 0 316.357 3.568 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000272670467 130051729 /nfs/dbraw/zinc/05/17/29/130051729.db2.gz SXBVOQXIPSTQLC-SNVBAGLBSA-N 1 0 323.755 3.676 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCCCOC(C)C)cc1[N+](=O)[O-] ZINC000272798954 130064786 /nfs/dbraw/zinc/06/47/86/130064786.db2.gz BDICGRLVXBVBRP-AWEZNQCLSA-N 1 0 324.421 3.849 20 5 DHBDRO CC(C)OCCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000272859864 130070002 /nfs/dbraw/zinc/07/00/02/130070002.db2.gz MSADZSRIPMUUDT-QGZVFWFLSA-N 1 0 320.433 3.711 20 5 DHBDRO CC(C)OCCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000272859863 130070138 /nfs/dbraw/zinc/07/01/38/130070138.db2.gz MSADZSRIPMUUDT-KRWDZBQOSA-N 1 0 320.433 3.711 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000281047491 130834409 /nfs/dbraw/zinc/83/44/09/130834409.db2.gz QPMUBEDPWJTLDT-CGTJXYLNSA-N 1 0 318.417 3.500 20 5 DHBDRO Cc1cccc(CCC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000285358084 131160707 /nfs/dbraw/zinc/16/07/07/131160707.db2.gz AHBVUUDINWJXKY-WEVVVXLNSA-N 1 0 311.385 3.534 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCSC1 ZINC000287232997 131270341 /nfs/dbraw/zinc/27/03/41/131270341.db2.gz YIWIZXBKGHGYAJ-KBPBESRZSA-N 1 0 308.447 3.649 20 5 DHBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000287438278 131280636 /nfs/dbraw/zinc/28/06/36/131280636.db2.gz KXDNEGYESQOVQN-IIYDPXPESA-N 1 0 318.417 3.579 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCCO1 ZINC000290988305 131533090 /nfs/dbraw/zinc/53/30/90/131533090.db2.gz ZMDLAWBAPJQSJX-LLVKDONJSA-N 1 0 319.188 3.560 20 5 DHBDRO Cc1ccc(-c2csc(C3([NH3+])CCCC3)n2)cc1[N+](=O)[O-] ZINC000041164143 132146619 /nfs/dbraw/zinc/14/66/19/132146619.db2.gz AOQFWCOESYCJMX-UHFFFAOYSA-N 1 0 303.387 3.755 20 5 DHBDRO CCC[C@@H]([NH2+]CCCc1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000121454272 132155559 /nfs/dbraw/zinc/15/55/59/132155559.db2.gz MJJMRVJOSLEDKA-QGZVFWFLSA-N 1 0 316.405 3.690 20 5 DHBDRO COC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173413265 332829853 /nfs/dbraw/zinc/82/98/53/332829853.db2.gz BPLIRVSYJAZFHL-SUMWQHHRSA-N 1 0 300.358 3.633 20 5 DHBDRO Cc1ncsc1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000556444101 331704962 /nfs/dbraw/zinc/70/49/62/331704962.db2.gz WBXOMQVRRGJVQP-LLVKDONJSA-N 1 0 305.403 3.561 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129754649 332020693 /nfs/dbraw/zinc/02/06/93/332020693.db2.gz DAXPGCUHRXMYHK-LLVKDONJSA-N 1 0 314.817 3.566 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000448023578 332189483 /nfs/dbraw/zinc/18/94/83/332189483.db2.gz UEWVSEGDYZRBJK-YOEHRIQHSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CCO)C1CCCCC1 ZINC000560319934 332330187 /nfs/dbraw/zinc/33/01/87/332330187.db2.gz JFPMFIJMWMDNMT-KDOFPFPSSA-N 1 0 320.433 3.885 20 5 DHBDRO COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000049948541 332330751 /nfs/dbraw/zinc/33/07/51/332330751.db2.gz YKOZTMWMSPFKMN-UHFFFAOYSA-N 1 0 306.749 3.547 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCc1nccs1 ZINC000560897903 332392419 /nfs/dbraw/zinc/39/24/19/332392419.db2.gz LIFIYKWTVNKONS-GFCCVEGCSA-N 1 0 305.403 3.643 20 5 DHBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000561358271 332441633 /nfs/dbraw/zinc/44/16/33/332441633.db2.gz YFKMBJYKACGQRK-DOMZBBRYSA-N 1 0 303.362 3.729 20 5 DHBDRO Cc1ccsc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566688855 332534869 /nfs/dbraw/zinc/53/48/69/332534869.db2.gz JUZLQBCPWGUWLD-CQSZACIVSA-N 1 0 302.399 3.784 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000562066682 332540971 /nfs/dbraw/zinc/54/09/71/332540971.db2.gz XIZUMCQMSREWCW-CABNGKKXSA-N 1 0 310.344 3.549 20 5 DHBDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151798288 332619104 /nfs/dbraw/zinc/61/91/04/332619104.db2.gz UVYRLWXYRZQQBE-NWDGAFQWSA-N 1 0 320.414 3.745 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000151002791 332676667 /nfs/dbraw/zinc/67/66/67/332676667.db2.gz JNYLRXDOHSVPIQ-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000466448192 333021378 /nfs/dbraw/zinc/02/13/78/333021378.db2.gz HOALBTQZHMFXLE-UHFFFAOYSA-N 1 0 313.401 3.619 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173341651 333072488 /nfs/dbraw/zinc/07/24/88/333072488.db2.gz KCPMIQYLIJIGDE-BZNIZROVSA-N 1 0 320.776 3.632 20 5 DHBDRO CCC(CC)[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000314114297 333087513 /nfs/dbraw/zinc/08/75/13/333087513.db2.gz NYOZKBZHQZXBNZ-DYVFJYSZSA-N 1 0 307.438 3.612 20 5 DHBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000463022529 333141083 /nfs/dbraw/zinc/14/10/83/333141083.db2.gz JRCHGEONUWCGNE-VBNZEHGJSA-N 1 0 306.406 3.838 20 5 DHBDRO CCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000188792501 333159597 /nfs/dbraw/zinc/15/95/97/333159597.db2.gz UTCZYMBHQVPOHN-UHFFFAOYSA-N 1 0 314.385 3.982 20 5 DHBDRO CCOC1(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000319293039 333281170 /nfs/dbraw/zinc/28/11/70/333281170.db2.gz VFMIHKJMXBXTOC-INIZCTEOSA-N 1 0 306.406 3.985 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CCc1ccc(Cl)cc1 ZINC000062726383 333336216 /nfs/dbraw/zinc/33/62/16/333336216.db2.gz ZVCYIUCGNYUSMI-UHFFFAOYSA-N 1 0 304.777 3.623 20 5 DHBDRO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])c2ncccc12)C(C)C ZINC000319677962 333396027 /nfs/dbraw/zinc/39/60/27/333396027.db2.gz TXPNGNYPXNHXAM-UHFFFAOYSA-N 1 0 316.405 3.674 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2sccc21 ZINC000062726612 333437771 /nfs/dbraw/zinc/43/77/71/333437771.db2.gz HQYFAJOFZHZHKY-AWEZNQCLSA-N 1 0 302.399 3.866 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000414191588 333911600 /nfs/dbraw/zinc/91/16/00/333911600.db2.gz UJVGLWUVPMJRNI-XQAQDONZSA-N 1 0 300.333 3.941 20 5 DHBDRO COC1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000414166110 333916203 /nfs/dbraw/zinc/91/62/03/333916203.db2.gz DHTXUBADYHLWPL-PUJMQQBBSA-N 1 0 304.390 3.519 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2cnccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000414497679 333998411 /nfs/dbraw/zinc/99/84/11/333998411.db2.gz LDDDFHUXXWISFI-UHFFFAOYSA-N 1 0 313.401 3.886 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000571655632 334073451 /nfs/dbraw/zinc/07/34/51/334073451.db2.gz NSFYPWSOAFIJJA-BHYGNILZSA-N 1 0 312.344 3.867 20 5 DHBDRO CC(C)c1ccc([C@@H]([NH3+])CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000414843140 334113204 /nfs/dbraw/zinc/11/32/04/334113204.db2.gz JLOXYGKLBFACGP-SFHVURJKSA-N 1 0 313.401 3.508 20 5 DHBDRO CC(C)c1ccc([C@H]([NH3+])CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000414850443 334123376 /nfs/dbraw/zinc/12/33/76/334123376.db2.gz SGJQRZINQHYHSE-OAHLLOKOSA-N 1 0 319.430 3.569 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N1CCC[C@@H](C)C1 ZINC000531937942 334295761 /nfs/dbraw/zinc/29/57/61/334295761.db2.gz ZFLMOJVPHOXSIH-BMFZPTHFSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1cccc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)(C)C)c1 ZINC000342047114 334504685 /nfs/dbraw/zinc/50/46/85/334504685.db2.gz XIIWQSIAIFIVCU-HNNXBMFYSA-N 1 0 316.405 3.514 20 5 DHBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417345368 334705865 /nfs/dbraw/zinc/70/58/65/334705865.db2.gz UEQMAHGNYXVKKJ-MZMPZRCHSA-N 1 0 318.417 3.910 20 5 DHBDRO Cc1ccncc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349921 334706277 /nfs/dbraw/zinc/70/62/77/334706277.db2.gz NJDWDIYHGNRTJV-GOSISDBHSA-N 1 0 311.385 3.856 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2COCc3ccccc32)cccc1[N+](=O)[O-] ZINC000417357166 334707532 /nfs/dbraw/zinc/70/75/32/334707532.db2.gz GGZLBHCEILXJSE-CXAGYDPISA-N 1 0 312.369 3.825 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOC(F)F)CCCC2 ZINC000417334993 334709766 /nfs/dbraw/zinc/70/97/66/334709766.db2.gz RZBPLPGQJBGESV-CQSZACIVSA-N 1 0 314.332 3.581 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccncc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188769155 334871968 /nfs/dbraw/zinc/87/19/68/334871968.db2.gz WOGWSSIFOGGNLC-WBMJQRKESA-N 1 0 315.373 3.800 20 5 DHBDRO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188780994 334872239 /nfs/dbraw/zinc/87/22/39/334872239.db2.gz JXTCHMQOFAONSC-CHWSQXEVSA-N 1 0 315.373 3.719 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000189680541 334906015 /nfs/dbraw/zinc/90/60/15/334906015.db2.gz SJEUJPCDSVQTMH-CYBMUJFWSA-N 1 0 320.418 3.546 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000344065280 335214536 /nfs/dbraw/zinc/21/45/36/335214536.db2.gz ODTVQZTXDWWHJS-INIZCTEOSA-N 1 0 312.369 3.641 20 5 DHBDRO CC[C@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000344336784 335242187 /nfs/dbraw/zinc/24/21/87/335242187.db2.gz VQUMLWDTVOFBJT-PBHICJAKSA-N 1 0 320.433 3.824 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000344771512 335276192 /nfs/dbraw/zinc/27/61/92/335276192.db2.gz YASYAPKLPOQRHU-CQSZACIVSA-N 1 0 313.401 3.834 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC000468623179 335352286 /nfs/dbraw/zinc/35/22/86/335352286.db2.gz XOVHROPMYIPWLN-ZGUWOUCSSA-N 1 0 320.433 3.631 20 5 DHBDRO CCCC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000444684505 338482362 /nfs/dbraw/zinc/48/23/62/338482362.db2.gz KICMRTQXYXWXML-AWEZNQCLSA-N 1 0 316.405 3.920 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC(C(F)(F)F)C1)CCC2 ZINC000348678482 335599369 /nfs/dbraw/zinc/59/93/69/335599369.db2.gz GYYDUTNVQYDBRO-QIMFLAQGSA-N 1 0 314.307 3.903 20 5 DHBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113338091 335706229 /nfs/dbraw/zinc/70/62/29/335706229.db2.gz JWDWBFDMYIRLQF-NHYWBVRUSA-N 1 0 317.414 3.997 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN(C)c1ccccc1 ZINC000532199995 335914939 /nfs/dbraw/zinc/91/49/39/335914939.db2.gz LJMIKMTXIFJQTB-HNNXBMFYSA-N 1 0 313.401 3.690 20 5 DHBDRO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000331545435 336139754 /nfs/dbraw/zinc/13/97/54/336139754.db2.gz HLCLWDALEHLQII-VCTAVGKDSA-N 1 0 306.431 3.658 20 5 DHBDRO COc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000194356291 338516066 /nfs/dbraw/zinc/51/60/66/338516066.db2.gz NRQUAHGHQGJNTJ-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(F)cc1)CCC2 ZINC000192589217 336165293 /nfs/dbraw/zinc/16/52/93/336165293.db2.gz JNXJMGKYQAERBP-QGZVFWFLSA-N 1 0 300.333 3.901 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000332317057 336167970 /nfs/dbraw/zinc/16/79/70/336167970.db2.gz MWTWDSWNRDVVPW-OLZOCXBDSA-N 1 0 317.414 3.992 20 5 DHBDRO C[C@H](c1cccc(Cl)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332539976 336174043 /nfs/dbraw/zinc/17/40/43/336174043.db2.gz XGAJLHMUYWPHIN-LLVKDONJSA-N 1 0 317.776 3.763 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(F)c1)CCC2 ZINC000192636043 336204866 /nfs/dbraw/zinc/20/48/66/336204866.db2.gz XEFVBFDPAIIKAX-QGZVFWFLSA-N 1 0 300.333 3.901 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000352533928 336223114 /nfs/dbraw/zinc/22/31/14/336223114.db2.gz BEQLEUHSDJSFPJ-GFCCVEGCSA-N 1 0 316.357 3.502 20 5 DHBDRO COc1ccccc1C(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000103483927 336242054 /nfs/dbraw/zinc/24/20/54/336242054.db2.gz OAGOZDOOUAJCBN-UHFFFAOYSA-N 1 0 314.385 3.671 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000192846498 336268507 /nfs/dbraw/zinc/26/85/07/336268507.db2.gz NGKQJCIICVKLCV-YOEHRIQHSA-N 1 0 305.422 3.510 20 5 DHBDRO CCC[C@H](NC1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192950573 336285740 /nfs/dbraw/zinc/28/57/40/336285740.db2.gz KOKKACHJHREXPW-SFHVURJKSA-N 1 0 319.449 3.898 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CCN(c1cc[nH+]c3cc(F)ccc31)C2 ZINC000301807338 336331415 /nfs/dbraw/zinc/33/14/15/336331415.db2.gz CFHUVUCXBIGOED-UHFFFAOYSA-N 1 0 323.327 3.845 20 5 DHBDRO CC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCS1 ZINC000302154206 336351199 /nfs/dbraw/zinc/35/11/99/336351199.db2.gz IKPUALJLCXRWPG-ZDUSSCGKSA-N 1 0 317.414 3.783 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1cccc([N+](=O)[O-])c1 ZINC000353631157 336430341 /nfs/dbraw/zinc/43/03/41/336430341.db2.gz PFDIATXILJISCR-INIZCTEOSA-N 1 0 310.357 3.712 20 5 DHBDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000356274849 336543767 /nfs/dbraw/zinc/54/37/67/336543767.db2.gz RYMUGHXQOVMPLQ-SJKOYZFVSA-N 1 0 318.348 3.600 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000358023797 336607004 /nfs/dbraw/zinc/60/70/04/336607004.db2.gz XSGITPXCMXSDJJ-QGZVFWFLSA-N 1 0 300.358 3.844 20 5 DHBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000358369313 336626866 /nfs/dbraw/zinc/62/68/66/336626866.db2.gz QEGNZHRSUBKUFM-GOSISDBHSA-N 1 0 314.385 3.887 20 5 DHBDRO CC[C@H]([NH2+][C@H](CO)c1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000358376797 336627254 /nfs/dbraw/zinc/62/72/54/336627254.db2.gz HYRIIYYXPBAMQP-LSDHHAIUSA-N 1 0 320.414 3.739 20 5 DHBDRO CC[C@H]([NH2+]C1CC(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000370737016 336892423 /nfs/dbraw/zinc/89/24/23/336892423.db2.gz GBFLKXZBWZLAIK-DQPZFDDXSA-N 1 0 311.385 3.977 20 5 DHBDRO CC[C@H](NC1CC([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000373521114 336963571 /nfs/dbraw/zinc/96/35/71/336963571.db2.gz KBVWYHGBNXALBV-VJFUWPCTSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000375345883 337008742 /nfs/dbraw/zinc/00/87/42/337008742.db2.gz VVANQNYSMLLZNJ-BDJLRTHQSA-N 1 0 316.332 3.908 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000377239256 337049142 /nfs/dbraw/zinc/04/91/42/337049142.db2.gz MGISCYHPZNYCJZ-JKSUJKDBSA-N 1 0 318.417 3.577 20 5 DHBDRO CSC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193817824 337080357 /nfs/dbraw/zinc/08/03/57/337080357.db2.gz DBCPPWPZZRJPMK-DZGCQCFKSA-N 1 0 320.458 3.791 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000177225704 337154810 /nfs/dbraw/zinc/15/48/10/337154810.db2.gz LISVWZHPPHLPJE-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182242056 337187573 /nfs/dbraw/zinc/18/75/73/337187573.db2.gz QUZYIYYMLUHLLJ-GFCCVEGCSA-N 1 0 300.811 3.576 20 5 DHBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000182341526 337187991 /nfs/dbraw/zinc/18/79/91/337187991.db2.gz CEHKNBJKXZWPGD-UHFFFAOYSA-N 1 0 312.797 3.638 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000182660494 337189322 /nfs/dbraw/zinc/18/93/22/337189322.db2.gz GYNVNNDTFWGLKL-OAHLLOKOSA-N 1 0 317.433 3.524 20 5 DHBDRO CC[N@H+](CCc1nccs1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182931507 337190775 /nfs/dbraw/zinc/19/07/75/337190775.db2.gz NHDWDIRKVJTFCU-ZDUSSCGKSA-N 1 0 319.430 3.985 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000321288136 337255244 /nfs/dbraw/zinc/25/52/44/337255244.db2.gz JSGJNQJLYYHOBW-IRXDYDNUSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584665329 337380043 /nfs/dbraw/zinc/38/00/43/337380043.db2.gz IUBXEMXSEFNGMA-ABAIWWIYSA-N 1 0 302.399 3.864 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](c1cccnc1)C1CC1 ZINC000514679916 337389521 /nfs/dbraw/zinc/38/95/21/337389521.db2.gz RCYRJBPBKRQNRD-AEFFLSMTSA-N 1 0 309.369 3.718 20 5 DHBDRO COC1(C[C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000429419460 337476339 /nfs/dbraw/zinc/47/63/39/337476339.db2.gz AYPPGOHOZJAJSK-ZIAGYGMSSA-N 1 0 306.406 3.902 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OC2CCC2)CC1 ZINC000419301672 337478790 /nfs/dbraw/zinc/47/87/90/337478790.db2.gz LQBNFAVTSRXKSG-CQSZACIVSA-N 1 0 318.417 3.998 20 5 DHBDRO Cc1cc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC000421391040 337530374 /nfs/dbraw/zinc/53/03/74/337530374.db2.gz VYNLMESUMGMOGB-CYBMUJFWSA-N 1 0 313.401 3.718 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@H]21 ZINC000248447883 337565204 /nfs/dbraw/zinc/56/52/04/337565204.db2.gz HPETYKFEYGWBOZ-NWANDNLSSA-N 1 0 324.808 3.541 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COc2ccccc21 ZINC000572200856 337596532 /nfs/dbraw/zinc/59/65/32/337596532.db2.gz IUEDVBABYSBXOY-SCZPIIQISA-N 1 0 324.380 3.764 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccc([N+](=O)[O-])cc1 ZINC000423454755 337720299 /nfs/dbraw/zinc/72/02/99/337720299.db2.gz ZNJDMTBHWLAMLM-CYBMUJFWSA-N 1 0 311.385 3.804 20 5 DHBDRO Cc1cc(N)cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000423488888 337722534 /nfs/dbraw/zinc/72/25/34/337722534.db2.gz ZLFNJWYWSRJMSU-GOSISDBHSA-N 1 0 311.385 3.653 20 5 DHBDRO Cc1ccc(OCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000536859945 337746533 /nfs/dbraw/zinc/74/65/33/337746533.db2.gz VEWQOGLXCGABQE-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000527525883 337749068 /nfs/dbraw/zinc/74/90/68/337749068.db2.gz ODHVBJCNOCWKMN-UHFFFAOYSA-N 1 0 322.311 3.831 20 5 DHBDRO C[C@@H]([NH2+]CCCOC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000122145930 337908538 /nfs/dbraw/zinc/90/85/38/337908538.db2.gz VGUYXHXUSLCEHD-CQSZACIVSA-N 1 0 306.406 3.985 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000122957806 337932887 /nfs/dbraw/zinc/93/28/87/337932887.db2.gz WDLORRDNSOWLMN-JSGCOSHPSA-N 1 0 314.385 3.891 20 5 DHBDRO CCC[C@@H]([NH2+]CCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000315061001 337980311 /nfs/dbraw/zinc/98/03/11/337980311.db2.gz ZORFFPQJMWZQGK-QGZVFWFLSA-N 1 0 305.422 3.512 20 5 DHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000429668018 338086915 /nfs/dbraw/zinc/08/69/15/338086915.db2.gz NIZJLFKIECBTJF-CJNGLKHVSA-N 1 0 324.446 3.628 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCC2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433120139 338182373 /nfs/dbraw/zinc/18/23/73/338182373.db2.gz XTIKCLTYNWLDNG-KRWDZBQOSA-N 1 0 318.417 3.724 20 5 DHBDRO CSC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCC1 ZINC000433194146 338185297 /nfs/dbraw/zinc/18/52/97/338185297.db2.gz VDSPJLQOOKMALH-LCYFTJDESA-N 1 0 306.431 3.873 20 5 DHBDRO COCCC(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433230195 338186866 /nfs/dbraw/zinc/18/68/66/338186866.db2.gz UDZSHFNLQWYMJL-INIZCTEOSA-N 1 0 320.433 3.970 20 5 DHBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433283843 338189197 /nfs/dbraw/zinc/18/91/97/338189197.db2.gz CXXWCGXBFNSXJA-AHIWAGSCSA-N 1 0 320.433 3.704 20 5 DHBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433283850 338189247 /nfs/dbraw/zinc/18/92/47/338189247.db2.gz CXXWCGXBFNSXJA-XNJGSVPQSA-N 1 0 320.433 3.704 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000151933869 338195873 /nfs/dbraw/zinc/19/58/73/338195873.db2.gz YRIWHSGMPLBZDU-RDTXWAMCSA-N 1 0 313.401 3.548 20 5 DHBDRO CC[NH+](CC)CCSCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000434802690 338226005 /nfs/dbraw/zinc/22/60/05/338226005.db2.gz LWWZIKAYLNCGSY-UHFFFAOYSA-N 1 0 302.827 3.823 20 5 DHBDRO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000435235372 338234986 /nfs/dbraw/zinc/23/49/86/338234986.db2.gz DKSPVGGAMFIHGT-UHFFFAOYSA-N 1 0 314.332 3.818 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cs1 ZINC000435750205 338248003 /nfs/dbraw/zinc/24/80/03/338248003.db2.gz XDCOYJRZXRUQRM-YEORSEQZSA-N 1 0 324.352 3.970 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)c2ccccc2C1 ZINC000436102915 338258403 /nfs/dbraw/zinc/25/84/03/338258403.db2.gz RTUWQRBWXMNOKS-CQSZACIVSA-N 1 0 311.385 3.608 20 5 DHBDRO Cc1ccc2c(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3)cn(C)c2c1 ZINC000436419496 338272112 /nfs/dbraw/zinc/27/21/12/338272112.db2.gz XWIXGBCGKXQPKO-UHFFFAOYSA-N 1 0 323.396 3.727 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCc2c(F)ccc(F)c2C1 ZINC000437528936 338312823 /nfs/dbraw/zinc/31/28/23/338312823.db2.gz YXBWHIKHAFSFLE-NSHDSACASA-N 1 0 318.323 3.992 20 5 DHBDRO CC(C)c1ccc(CN(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000438494314 338346163 /nfs/dbraw/zinc/34/61/63/338346163.db2.gz NNIPPKSDMNPRTN-UHFFFAOYSA-N 1 0 319.449 3.634 20 5 DHBDRO C[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1cccc([N+](=O)[O-])c1 ZINC000442774710 338430284 /nfs/dbraw/zinc/43/02/84/338430284.db2.gz DHKYXIZXJLLQHR-GXTWGEPZSA-N 1 0 321.380 3.894 20 5 DHBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000442819119 338433513 /nfs/dbraw/zinc/43/35/13/338433513.db2.gz HSDOMRKJHWFVQR-IKGGRYGDSA-N 1 0 304.390 3.519 20 5 DHBDRO CC1(C)CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446830401 338537306 /nfs/dbraw/zinc/53/73/06/338537306.db2.gz RXEZGXMPLZCDNH-NSHDSACASA-N 1 0 302.378 3.530 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000447532802 338554673 /nfs/dbraw/zinc/55/46/73/338554673.db2.gz VQESQLQOGBIBIS-ROUUACIJSA-N 1 0 318.417 3.767 20 5 DHBDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447532626 338554678 /nfs/dbraw/zinc/55/46/78/338554678.db2.gz WQTGAUIJIVQZOM-FPCVCCKLSA-N 1 0 320.437 3.691 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000447592498 338560318 /nfs/dbraw/zinc/56/03/18/338560318.db2.gz LWLNJYBTIWDXJY-VUCTXSBTSA-N 1 0 304.390 3.519 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC000447597962 338561066 /nfs/dbraw/zinc/56/10/66/338561066.db2.gz GKVNLAKBFRMADV-GDBMZVCRSA-N 1 0 317.433 3.571 20 5 DHBDRO CO[C@@](C)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000449485404 338629642 /nfs/dbraw/zinc/62/96/42/338629642.db2.gz QEGITIWCQSZBMO-SFHVURJKSA-N 1 0 314.385 3.555 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H](c3cccs3)C2)cc1 ZINC000449624651 338642396 /nfs/dbraw/zinc/64/23/96/338642396.db2.gz NQPYTXMABBXZGP-HIFRSBDPSA-N 1 0 318.398 3.666 20 5 DHBDRO CN1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000449647223 338644139 /nfs/dbraw/zinc/64/41/39/338644139.db2.gz DCJAEZGSASVZMF-KRWDZBQOSA-N 1 0 311.385 3.656 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452033521 338751647 /nfs/dbraw/zinc/75/16/47/338751647.db2.gz GXNTXRISPRKSLK-UKRRQHHQSA-N 1 0 312.797 3.686 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000453301276 338820956 /nfs/dbraw/zinc/82/09/56/338820956.db2.gz XKRXFPRFIAKEOC-OUCADQQQSA-N 1 0 312.360 3.939 20 5 DHBDRO CO[C@@H]([C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000453338962 338827400 /nfs/dbraw/zinc/82/74/00/338827400.db2.gz BGVBAJVRTZCKQJ-GOPGUHFVSA-N 1 0 318.417 3.720 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCC(F)(F)CC1 ZINC000459431949 339028887 /nfs/dbraw/zinc/02/88/87/339028887.db2.gz GCVVTUATXZCOOI-UHFFFAOYSA-N 1 0 312.360 3.895 20 5 DHBDRO CC(C)OC1CC([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000459524962 339034135 /nfs/dbraw/zinc/03/41/35/339034135.db2.gz XANUNLYLRGTSFI-ZLPCBKJTSA-N 1 0 318.417 3.730 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000459640528 339039679 /nfs/dbraw/zinc/03/96/79/339039679.db2.gz XAZJYHKADFHHBU-WXQBEPBSSA-N 1 0 304.390 3.544 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459658363 339041127 /nfs/dbraw/zinc/04/11/27/339041127.db2.gz PMMRGASWYSGWGA-DOTOQJQBSA-N 1 0 300.333 3.688 20 5 DHBDRO CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC1 ZINC000459753296 339046240 /nfs/dbraw/zinc/04/62/40/339046240.db2.gz LXSTWJRIWZWAKH-INIZCTEOSA-N 1 0 320.389 3.520 20 5 DHBDRO CC[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000462914236 339097941 /nfs/dbraw/zinc/09/79/41/339097941.db2.gz SJXXZODXOUANIK-UHFFFAOYSA-N 1 0 311.813 3.782 20 5 DHBDRO COc1cc(C[NH2+]CCC2=CCCCCC2)c([N+](=O)[O-])cc1O ZINC000463696920 339124049 /nfs/dbraw/zinc/12/40/49/339124049.db2.gz GJNZNEGWFBISBS-UHFFFAOYSA-N 1 0 320.389 3.679 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000464067271 339132762 /nfs/dbraw/zinc/13/27/62/339132762.db2.gz BROJWLGTBCLVGV-JKSUJKDBSA-N 1 0 306.406 3.585 20 5 DHBDRO COc1cc(C[N@H+](C(C)C)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000464689296 339148902 /nfs/dbraw/zinc/14/89/02/339148902.db2.gz JPYYVVFZVAQWAX-UHFFFAOYSA-N 1 0 310.369 3.896 20 5 DHBDRO CO[C@@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000467386257 339235945 /nfs/dbraw/zinc/23/59/45/339235945.db2.gz UWHIITPQOGRUDO-CXAGYDPISA-N 1 0 306.406 3.575 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000467982200 339250467 /nfs/dbraw/zinc/25/04/67/339250467.db2.gz HDTOEACAARETAZ-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@H](CCCC(F)(F)F)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467992344 339250662 /nfs/dbraw/zinc/25/06/62/339250662.db2.gz CSBNPFKXRQXLSD-LLVKDONJSA-N 1 0 304.312 3.848 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC(F)(F)F ZINC000468044238 339252572 /nfs/dbraw/zinc/25/25/72/339252572.db2.gz FMMKPOOAPZNAPY-GHMZBOCLSA-N 1 0 304.312 3.846 20 5 DHBDRO C[C@@H](CCc1ccc(F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000468444686 339262897 /nfs/dbraw/zinc/26/28/97/339262897.db2.gz RHUDHTLVLMJBNX-AWEZNQCLSA-N 1 0 316.376 3.887 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000468612619 339267016 /nfs/dbraw/zinc/26/70/16/339267016.db2.gz ZMAFOYBVJGPJGG-LDXCAOIPSA-N 1 0 318.417 3.793 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000468615885 339267182 /nfs/dbraw/zinc/26/71/82/339267182.db2.gz TYUAMQRYRAKVPC-OVHOFWQVSA-N 1 0 304.390 3.545 20 5 DHBDRO COCCC(C)(C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468621166 339267256 /nfs/dbraw/zinc/26/72/56/339267256.db2.gz VSNMVNAWYLFXJJ-GXDHUFHOSA-N 1 0 306.406 3.650 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000468654866 339268096 /nfs/dbraw/zinc/26/80/96/339268096.db2.gz CTAVHUDVAAZDOV-QWSHFYNQSA-N 1 0 319.449 3.564 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000468745949 339269716 /nfs/dbraw/zinc/26/97/16/339269716.db2.gz WZKPIXLSRWJCIK-DNXIFWLFSA-N 1 0 316.401 3.689 20 5 DHBDRO CCC(CC)(CCO)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468747612 339269844 /nfs/dbraw/zinc/26/98/44/339269844.db2.gz XYSBAPDSUGDLPD-PTNGSMBKSA-N 1 0 320.433 3.777 20 5 DHBDRO COCC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000470174077 339312799 /nfs/dbraw/zinc/31/27/99/339312799.db2.gz PXEKYJXQOIJOHA-GDNBJRDFSA-N 1 0 306.406 3.603 20 5 DHBDRO COCC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000470174078 339312881 /nfs/dbraw/zinc/31/28/81/339312881.db2.gz PXEKYJXQOIJOHA-XNTDXEJSSA-N 1 0 306.406 3.603 20 5 DHBDRO CC[C@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCS1 ZINC000470183905 339313302 /nfs/dbraw/zinc/31/33/02/339313302.db2.gz SVOCJPFCNZDDLI-WQMJKPAKSA-N 1 0 306.431 3.826 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CCCCC1 ZINC000473736237 339391017 /nfs/dbraw/zinc/39/10/17/339391017.db2.gz PBSQPVWEXQZQBX-GOSISDBHSA-N 1 0 320.433 3.746 20 5 DHBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000475226870 339442422 /nfs/dbraw/zinc/44/24/22/339442422.db2.gz ADEWBGBJBFHDIN-CHWSQXEVSA-N 1 0 316.405 3.776 20 5 DHBDRO CC1(c2ccccc2)CC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000478236650 339511077 /nfs/dbraw/zinc/51/10/77/339511077.db2.gz ULUOYSUWRSDKCH-UHFFFAOYSA-N 1 0 314.360 3.944 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000478491878 339516474 /nfs/dbraw/zinc/51/64/74/339516474.db2.gz TUFZVGXDAWQHFG-YESZJQIVSA-N 1 0 318.417 3.588 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCc2ccc(F)c(F)c2)cc1 ZINC000479396276 339533066 /nfs/dbraw/zinc/53/30/66/339533066.db2.gz VMMBHODUIMQKRT-UHFFFAOYSA-N 1 0 320.339 3.986 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(C(F)F)CC1)C1CC1 ZINC000479441324 339535118 /nfs/dbraw/zinc/53/51/18/339535118.db2.gz AZHFOTLRFJTVFT-CYBMUJFWSA-N 1 0 310.344 3.551 20 5 DHBDRO COc1ccc(OCC[NH2+][C@@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC000481187431 339597825 /nfs/dbraw/zinc/59/78/25/339597825.db2.gz ZSLJWPVEVIZUEU-MRXNPFEDSA-N 1 0 322.405 3.541 20 5 DHBDRO CCC[C@H]([NH2+]C[C@](C)(O)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000482972987 339648879 /nfs/dbraw/zinc/64/88/79/339648879.db2.gz SKMRUEINNSBOIU-JQFCIGGWSA-N 1 0 308.422 3.823 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000483714621 339672431 /nfs/dbraw/zinc/67/24/31/339672431.db2.gz PINVVOZZNKECJY-KBRIMQKVSA-N 1 0 318.417 3.902 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000487945585 339766566 /nfs/dbraw/zinc/76/65/66/339766566.db2.gz VIHJORDYFWZRIP-GFCCVEGCSA-N 1 0 320.776 3.978 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488431068 339781761 /nfs/dbraw/zinc/78/17/61/339781761.db2.gz KIDMOPAISYBWTD-IUODEOHRSA-N 1 0 324.446 3.613 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000492786884 339908771 /nfs/dbraw/zinc/90/87/71/339908771.db2.gz ZZITVJXFRUPHCL-GUYCJALGSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1c(CN2CCc3cccc(F)c3C2)cccc1[N+](=O)[O-] ZINC000502501694 340106096 /nfs/dbraw/zinc/10/60/96/340106096.db2.gz RPQWVUMYYDNYHC-UHFFFAOYSA-N 1 0 300.333 3.601 20 5 DHBDRO CCC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000402391293 340230277 /nfs/dbraw/zinc/23/02/77/340230277.db2.gz UINALIMSADDVSR-PBHICJAKSA-N 1 0 306.406 3.842 20 5 DHBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000508530250 340245853 /nfs/dbraw/zinc/24/58/53/340245853.db2.gz GOQHSVBUYXKIQY-OAHLLOKOSA-N 1 0 314.385 3.804 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000509446199 340269797 /nfs/dbraw/zinc/26/97/97/340269797.db2.gz GUIUPVSSVGDTTK-MRXNPFEDSA-N 1 0 320.433 3.749 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000510933171 340315511 /nfs/dbraw/zinc/31/55/11/340315511.db2.gz MVJWFMAITDETOC-BBRMVZONSA-N 1 0 312.369 3.639 20 5 DHBDRO CC[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000510950731 340316096 /nfs/dbraw/zinc/31/60/96/340316096.db2.gz JXSCWUYDVJRQKW-ZDUSSCGKSA-N 1 0 324.384 3.755 20 5 DHBDRO Cc1ccc2c(c1)CN([C@@H](C)c1ccccc1[N+](=O)[O-])CCO2 ZINC000512251509 340354207 /nfs/dbraw/zinc/35/42/07/340354207.db2.gz HDJXDPALMDGMEP-AWEZNQCLSA-N 1 0 312.369 3.859 20 5 DHBDRO CCc1cnc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000173452418 340365265 /nfs/dbraw/zinc/36/52/65/340365265.db2.gz ODGZMMCYYJMNKV-NSHDSACASA-N 1 0 305.403 3.507 20 5 DHBDRO C[C@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513027905 340389229 /nfs/dbraw/zinc/38/92/29/340389229.db2.gz QTECEUJXHHYLMR-BPJJOFIESA-N 1 0 322.368 3.835 20 5 DHBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(O)c1 ZINC000174620999 340393188 /nfs/dbraw/zinc/39/31/88/340393188.db2.gz CCFMIJQEXDBDNT-CQSZACIVSA-N 1 0 314.385 3.926 20 5 DHBDRO COc1ccc(C[NH+]2CCC3(CCCC3)CC2)cc1[N+](=O)[O-] ZINC000513713700 340421230 /nfs/dbraw/zinc/42/12/30/340421230.db2.gz RWWKLWLRJJNVPG-UHFFFAOYSA-N 1 0 304.390 3.760 20 5 DHBDRO C[C@@H]([NH2+]CCN(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000516673243 340453600 /nfs/dbraw/zinc/45/36/00/340453600.db2.gz NOWKHYGVJARFTL-GFCCVEGCSA-N 1 0 319.430 3.536 20 5 DHBDRO Cc1cc(N2CCC(F)(F)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000517063945 340462964 /nfs/dbraw/zinc/46/29/64/340462964.db2.gz VEFIOZMFGUODKQ-JTQLQIEISA-N 1 0 321.327 3.933 20 5 DHBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1nccs1 ZINC000230693861 340620682 /nfs/dbraw/zinc/62/06/82/340620682.db2.gz IMFZHOOCFWTKQA-SECBINFHSA-N 1 0 311.794 3.598 20 5 DHBDRO Cc1cc(NCCc2ccc(O)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326337892 340714114 /nfs/dbraw/zinc/71/41/14/340714114.db2.gz JVUZFNIQRQOQLY-UHFFFAOYSA-N 1 0 323.352 3.812 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000538187033 340812338 /nfs/dbraw/zinc/81/23/38/340812338.db2.gz FOCDHDBVANYKBP-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000126187481 340824357 /nfs/dbraw/zinc/82/43/57/340824357.db2.gz IEOFSTITETWKJG-SUMWQHHRSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC1CCCCC1 ZINC000539074154 340870673 /nfs/dbraw/zinc/87/06/73/340870673.db2.gz VFPQFXMRWMGQFF-AWEZNQCLSA-N 1 0 306.406 3.903 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1(C2CC2)CC1 ZINC000539655362 340894732 /nfs/dbraw/zinc/89/47/32/340894732.db2.gz RLIFMUQWEZKSRB-CJNGLKHVSA-N 1 0 300.402 3.838 20 5 DHBDRO COc1ccc(C2([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000540721732 340943125 /nfs/dbraw/zinc/94/31/25/340943125.db2.gz CAKFGGCFUARTKW-CYBMUJFWSA-N 1 0 312.369 3.943 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000541559440 340974534 /nfs/dbraw/zinc/97/45/34/340974534.db2.gz RRWUVTRJDPOQAN-ILXRZTDVSA-N 1 0 306.406 3.759 20 5 DHBDRO CCc1cnc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000130283942 341013027 /nfs/dbraw/zinc/01/30/27/341013027.db2.gz HCTIUTSNZITURB-LBPRGKRZSA-N 1 0 319.430 3.815 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000130412758 341021152 /nfs/dbraw/zinc/02/11/52/341021152.db2.gz XUMZHVYSRCUJQW-IMJJTQAJSA-N 1 0 320.458 3.791 20 5 DHBDRO Cc1ccc([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000543248330 341038303 /nfs/dbraw/zinc/03/83/03/341038303.db2.gz XKCVIVXWUVFMEF-GOSISDBHSA-N 1 0 310.397 3.935 20 5 DHBDRO C[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543860353 341061681 /nfs/dbraw/zinc/06/16/81/341061681.db2.gz WTBLXOZTLTXQSU-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000544180289 341073243 /nfs/dbraw/zinc/07/32/43/341073243.db2.gz FGCDVKUSJCAKQG-MSOLQXFVSA-N 1 0 318.417 3.765 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000544432614 341081937 /nfs/dbraw/zinc/08/19/37/341081937.db2.gz KNORAMUQEWZKRE-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000544611465 341088841 /nfs/dbraw/zinc/08/88/41/341088841.db2.gz RRHOLYSYUHQLAT-GOSISDBHSA-N 1 0 313.401 3.969 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000131443920 341089039 /nfs/dbraw/zinc/08/90/39/341089039.db2.gz IGIYCVZQKICEEK-KDOFPFPSSA-N 1 0 314.385 3.942 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000545235217 341116364 /nfs/dbraw/zinc/11/63/64/341116364.db2.gz KRGQBFJBNAPYTI-DOPJRALCSA-N 1 0 318.417 3.759 20 5 DHBDRO CC(C)(C)OCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000546659029 341177657 /nfs/dbraw/zinc/17/76/57/341177657.db2.gz LHQMHWPGUCGXFQ-HOCLYGCPSA-N 1 0 320.433 3.711 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(F)cc(Cl)c2)cc1 ZINC000547931770 341239530 /nfs/dbraw/zinc/23/95/30/341239530.db2.gz SQMVVUWOZVXAKH-UHFFFAOYSA-N 1 0 324.739 3.556 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000078613106 341244927 /nfs/dbraw/zinc/24/49/27/341244927.db2.gz PIVRHMURQZVFSM-MRXNPFEDSA-N 1 0 317.389 3.991 20 5 DHBDRO CC1(C)CC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000548699998 341269785 /nfs/dbraw/zinc/26/97/85/341269785.db2.gz VMOVQPMGUMORTH-UHFFFAOYSA-N 1 0 314.332 3.722 20 5 DHBDRO COCc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000080346888 341272984 /nfs/dbraw/zinc/27/29/84/341272984.db2.gz GEPXWLVNKGCHSZ-UHFFFAOYSA-N 1 0 314.385 3.766 20 5 DHBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000080932464 341276840 /nfs/dbraw/zinc/27/68/40/341276840.db2.gz VTOADBOMGCLJDB-CYBMUJFWSA-N 1 0 300.358 3.884 20 5 DHBDRO CSC[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245542305 341300986 /nfs/dbraw/zinc/30/09/86/341300986.db2.gz LFLVONGAZCLSEM-YDHLFZDLSA-N 1 0 308.447 3.647 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000246801378 341357240 /nfs/dbraw/zinc/35/72/40/341357240.db2.gz ACCCDLSBCIFXPU-BHYGNILZSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000248576392 341380324 /nfs/dbraw/zinc/38/03/24/341380324.db2.gz TXXASSPJDMPGFY-NTZNESFSSA-N 1 0 303.362 3.650 20 5 DHBDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000089512009 341405226 /nfs/dbraw/zinc/40/52/26/341405226.db2.gz JZBITHHYGFDSCI-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO Cc1cccnc1C(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000554993528 341472116 /nfs/dbraw/zinc/47/21/16/341472116.db2.gz CGFMVANNTHHVCX-CQSZACIVSA-N 1 0 313.401 3.927 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000556099815 341494252 /nfs/dbraw/zinc/49/42/52/341494252.db2.gz ZNOATASAZPTJQW-PBHICJAKSA-N 1 0 319.449 3.674 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000153499171 341542739 /nfs/dbraw/zinc/54/27/39/341542739.db2.gz MIOWCRBBMPTJIQ-YDHLFZDLSA-N 1 0 322.405 3.602 20 5 DHBDRO CC[C@@H]([NH2+]CCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000271476558 341622809 /nfs/dbraw/zinc/62/28/09/341622809.db2.gz JUDVFELJPVVZKR-CQSZACIVSA-N 1 0 305.403 3.725 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCSC1 ZINC000573719946 341736964 /nfs/dbraw/zinc/73/69/64/341736964.db2.gz MTGWBLPOBLYUQE-ODDCISTRSA-N 1 0 306.431 3.731 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000574741551 341767565 /nfs/dbraw/zinc/76/75/65/341767565.db2.gz SRUNWSJNDKMESR-SUYBPPKGSA-N 1 0 304.390 3.519 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000336876317 341809667 /nfs/dbraw/zinc/80/96/67/341809667.db2.gz RHHFGMNLVBCKBN-QGZVFWFLSA-N 1 0 314.385 3.887 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C/C=C\c3ccccc3)c2c1 ZINC000575900985 341813556 /nfs/dbraw/zinc/81/35/56/341813556.db2.gz WPMLTROXSIHTRL-DAXSKMNVSA-N 1 0 321.380 3.922 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@H](F)C2)c1 ZINC000577869643 341945231 /nfs/dbraw/zinc/94/52/31/341945231.db2.gz VHSNSTBYRKANMP-WDEREUQCSA-N 1 0 318.295 3.567 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178823419 341966526 /nfs/dbraw/zinc/96/65/26/341966526.db2.gz KRJQNNSXEDEOHA-DCGLDWPTSA-N 1 0 312.369 3.810 20 5 DHBDRO CC(C)([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000180875326 519325332 /nfs/dbraw/zinc/32/53/32/519325332.db2.gz RUBNKLPFPOLZMV-UHFFFAOYSA-N 1 0 306.312 3.898 20 5 DHBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000267398069 521009481 /nfs/dbraw/zinc/00/94/81/521009481.db2.gz FINHXNLJGSOLSV-CYBMUJFWSA-N 1 0 300.358 3.844 20 5 DHBDRO CCC[NH+](CCC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000267901680 521650064 /nfs/dbraw/zinc/65/00/64/521650064.db2.gz LNJIQXQXYXRIDW-GFCCVEGCSA-N 1 0 318.377 3.828 20 5 DHBDRO CCc1nc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000157141505 522285755 /nfs/dbraw/zinc/28/57/55/522285755.db2.gz BELMCVQSRVSQLB-LLVKDONJSA-N 1 0 305.403 3.507 20 5 DHBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237133945 522506558 /nfs/dbraw/zinc/50/65/58/522506558.db2.gz HEKBOKXHEJHSNY-SNVBAGLBSA-N 1 0 300.786 3.541 20 5 DHBDRO COCCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237186715 523173902 /nfs/dbraw/zinc/17/39/02/523173902.db2.gz BLLNZVGDXVRQNH-UHFFFAOYSA-N 1 0 320.414 3.840 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000131500126 523539705 /nfs/dbraw/zinc/53/97/05/523539705.db2.gz XJJYJNOMAQZDBY-DYVFJYSZSA-N 1 0 300.358 3.633 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189249503 526087158 /nfs/dbraw/zinc/08/71/58/526087158.db2.gz VWNSOCZWFPHKEW-RDTXWAMCSA-N 1 0 318.417 3.855 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000245534023 526090666 /nfs/dbraw/zinc/09/06/66/526090666.db2.gz VVNHUCHFPWARAM-GOEBONIOSA-N 1 0 306.406 3.711 20 5 DHBDRO Cc1csc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000156657665 526330529 /nfs/dbraw/zinc/33/05/29/526330529.db2.gz MQQNVBZMZYKTCX-UHFFFAOYSA-N 1 0 317.414 3.739 20 5 DHBDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000127728633 526829156 /nfs/dbraw/zinc/82/91/56/526829156.db2.gz YBDVHJDMUKGKJJ-GFCCVEGCSA-N 1 0 319.430 3.870 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]3OCC[C@@H]31)CCC2 ZINC000192961534 527379547 /nfs/dbraw/zinc/37/95/47/527379547.db2.gz MQJPASGFRNQEKP-VDHUWJSZSA-N 1 0 316.401 3.519 20 5 DHBDRO CC1(C)OCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295125670 535000051 /nfs/dbraw/zinc/00/00/51/535000051.db2.gz AIIMKKURWFGDQG-LLVKDONJSA-N 1 0 319.188 3.559 20 5 DHBDRO CCOC1CC2(C1)CC[N@@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000285638708 535397814 /nfs/dbraw/zinc/39/78/14/535397814.db2.gz ZELVNJXGBQDDBP-IGEOTXOUSA-N 1 0 304.390 3.547 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000271542507 535947405 /nfs/dbraw/zinc/94/74/05/535947405.db2.gz SVVCTRWSTANQJS-HOCLYGCPSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000126659321 1013387679 /nfs/dbraw/zinc/38/76/79/1013387679.db2.gz FASMNFPVUPLVAY-UONOGXRCSA-N 1 0 314.385 3.972 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000120877996 1013546535 /nfs/dbraw/zinc/54/65/35/1013546535.db2.gz XOKXOVVNVVUSEG-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000441462428 1013909796 /nfs/dbraw/zinc/90/97/96/1013909796.db2.gz IAWUHPUHBMWIPP-XJKCOSOUSA-N 1 0 304.390 3.756 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610341920 1013949741 /nfs/dbraw/zinc/94/97/41/1013949741.db2.gz JDFYZFSGJPDSIF-LSDHHAIUSA-N 1 0 311.385 3.524 20 5 DHBDRO CC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083198534 1013993055 /nfs/dbraw/zinc/99/30/55/1013993055.db2.gz CPHOHQJSXOUOGW-LBPRGKRZSA-N 1 0 303.362 3.748 20 5 DHBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000580629842 1014260663 /nfs/dbraw/zinc/26/06/63/1014260663.db2.gz GIHGDOFASLYVNA-AOOOYVTPSA-N 1 0 302.296 3.986 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000442130886 1014635455 /nfs/dbraw/zinc/63/54/55/1014635455.db2.gz RSOIOQOBCWHYGH-ZDUSSCGKSA-N 1 0 309.369 3.969 20 5 DHBDRO Cc1cccc(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000581307726 1014691348 /nfs/dbraw/zinc/69/13/48/1014691348.db2.gz BVNZOJNPJJVXTK-UHFFFAOYSA-N 1 0 311.385 3.505 20 5 DHBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000442808675 1014741387 /nfs/dbraw/zinc/74/13/87/1014741387.db2.gz HSDOMRKJHWFVQR-BRWVUGGUSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000442860984 1014748563 /nfs/dbraw/zinc/74/85/63/1014748563.db2.gz CSPXGPMXRXSVIX-AWEZNQCLSA-N 1 0 314.385 3.974 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])s1 ZINC000754670609 1014801711 /nfs/dbraw/zinc/80/17/11/1014801711.db2.gz WYPLFLPDMARIKO-LBPRGKRZSA-N 1 0 306.387 3.694 20 5 DHBDRO C[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276269680 1014911221 /nfs/dbraw/zinc/91/12/21/1014911221.db2.gz ZJRVJEKPWRQYTL-IJLUTSLNSA-N 1 0 316.361 3.579 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H](O)C(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000320173371 1014947970 /nfs/dbraw/zinc/94/79/70/1014947970.db2.gz JXZNXRTUTWZSFY-IAGOWNOFSA-N 1 0 308.422 3.823 20 5 DHBDRO Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000537978290 1014948570 /nfs/dbraw/zinc/94/85/70/1014948570.db2.gz OIKJJFKRCIQQLZ-DYVFJYSZSA-N 1 0 312.369 3.996 20 5 DHBDRO CC[N@H+](CCc1nccs1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000121123080 1015031721 /nfs/dbraw/zinc/03/17/21/1015031721.db2.gz FQRQUJMHAWMPKQ-LBPRGKRZSA-N 1 0 305.403 3.677 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000895306095 1015038587 /nfs/dbraw/zinc/03/85/87/1015038587.db2.gz FVLXTQPJQUEKDE-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000320195617 1015052878 /nfs/dbraw/zinc/05/28/78/1015052878.db2.gz QFSHKMBGLHXUIK-JTQLQIEISA-N 1 0 319.327 3.754 20 5 DHBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)c(Br)c1 ZINC001226941095 1015053903 /nfs/dbraw/zinc/05/39/03/1015053903.db2.gz ORNPANVXGDYFEM-VIFPVBQESA-N 1 0 307.639 3.576 20 5 DHBDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000127262898 1015256904 /nfs/dbraw/zinc/25/69/04/1015256904.db2.gz YJRIKRLDZAWVPY-VXGBXAGGSA-N 1 0 303.362 3.604 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000090910201 1015299863 /nfs/dbraw/zinc/29/98/63/1015299863.db2.gz JVLOICOZMRHURK-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO CCOC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000474814297 1015617146 /nfs/dbraw/zinc/61/71/46/1015617146.db2.gz UMHCKXQDKOLHEZ-VNQPRFMTSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1occc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610805274 1015848002 /nfs/dbraw/zinc/84/80/02/1015848002.db2.gz PNQALBYJACFFEE-INIZCTEOSA-N 1 0 300.358 3.607 20 5 DHBDRO C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000320290608 1016076421 /nfs/dbraw/zinc/07/64/21/1016076421.db2.gz YOUKQHJLCQKCGT-RKVPGOIHSA-N 1 0 319.449 3.756 20 5 DHBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135476513 1016236016 /nfs/dbraw/zinc/23/60/16/1016236016.db2.gz QXUCJECJGQITSH-GFCCVEGCSA-N 1 0 300.811 3.576 20 5 DHBDRO C[C@@H](Nc1sccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611583548 1016512172 /nfs/dbraw/zinc/51/21/72/1016512172.db2.gz NYBOUXLFJQEEIB-NEPJUHHUSA-N 1 0 309.435 3.721 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000582340054 1016600022 /nfs/dbraw/zinc/60/00/22/1016600022.db2.gz ANFQAIBVOWXCJX-KTLBGCOUSA-N 1 0 314.307 3.882 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000108880246 1016636870 /nfs/dbraw/zinc/63/68/70/1016636870.db2.gz BDJPHFVUOAYDOQ-HNNXBMFYSA-N 1 0 312.369 3.559 20 5 DHBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000479430974 1016953468 /nfs/dbraw/zinc/95/34/68/1016953468.db2.gz YMLUYKZPMDSBRF-UHFFFAOYSA-N 1 0 312.797 3.687 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000896950605 1016955539 /nfs/dbraw/zinc/95/55/39/1016955539.db2.gz DOZWYOFLMLRGBY-JOYOIKCWSA-N 1 0 300.811 3.622 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000035257710 1017074878 /nfs/dbraw/zinc/07/48/78/1017074878.db2.gz OIPBZUZWMTVZTC-NWDGAFQWSA-N 1 0 302.296 3.806 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000368218127 1032447851 /nfs/dbraw/zinc/44/78/51/1032447851.db2.gz DTCOTJDZMMIRGK-KBPBESRZSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000773134792 1032567999 /nfs/dbraw/zinc/56/79/99/1032567999.db2.gz BGBOKBGROSKAQY-QOWREQOWSA-N 1 0 324.471 3.625 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000773132832 1032568230 /nfs/dbraw/zinc/56/82/30/1032568230.db2.gz WPUAYWSJTKLDDS-ZENOOKHLSA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000773140314 1032574193 /nfs/dbraw/zinc/57/41/93/1032574193.db2.gz VKBAZWGYRUBIGY-OADPDTJPSA-N 1 0 324.471 3.625 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1cccs1 ZINC000537649116 1032586427 /nfs/dbraw/zinc/58/64/27/1032586427.db2.gz GCKZBPNOVQGFQO-UHFFFAOYSA-N 1 0 320.414 3.730 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC34CC4)s2)cc1 ZINC000424186707 1011936444 /nfs/dbraw/zinc/93/64/44/1011936444.db2.gz TUBVZIYIADZZML-HNNXBMFYSA-N 1 0 300.383 3.965 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000559073706 1012357710 /nfs/dbraw/zinc/35/77/10/1012357710.db2.gz UXEFMSXGIPIONL-IEBWSBKVSA-N 1 0 310.397 3.873 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC(CC(F)F)C2)o1 ZINC000425365610 1012491633 /nfs/dbraw/zinc/49/16/33/1012491633.db2.gz MEHHQEDXOMDUNN-UHFFFAOYSA-N 1 0 322.311 3.942 20 5 DHBDRO CCC[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001167959718 1012598823 /nfs/dbraw/zinc/59/88/23/1012598823.db2.gz PKVDSHSHQLSLDP-HNNXBMFYSA-N 1 0 306.406 3.876 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000515379584 1012613572 /nfs/dbraw/zinc/61/35/72/1012613572.db2.gz HJQOIASGPZGEKD-ZFWWWQNUSA-N 1 0 324.808 3.639 20 5 DHBDRO Cc1cc(NCCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000515550352 1012657773 /nfs/dbraw/zinc/65/77/73/1012657773.db2.gz LSCDKYAGBPQIDA-OAHLLOKOSA-N 1 0 305.422 3.970 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000537689253 1032643209 /nfs/dbraw/zinc/64/32/09/1032643209.db2.gz JQEHYCODTUAPJO-NVXWUHKLSA-N 1 0 318.417 3.719 20 5 DHBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)cc(Cl)c1F ZINC001225909336 1012854671 /nfs/dbraw/zinc/85/46/71/1012854671.db2.gz AECPWCXZRDRNGC-MRVPVSSYSA-N 1 0 314.730 3.971 20 5 DHBDRO CC[C@@H]([NH2+]CC1(O)CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000336854837 1012920325 /nfs/dbraw/zinc/92/03/25/1012920325.db2.gz SEIZBJLYJUSLAG-MRXNPFEDSA-N 1 0 306.406 3.721 20 5 DHBDRO Cc1cccc(C)c1OCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000517534770 1013006442 /nfs/dbraw/zinc/00/64/42/1013006442.db2.gz CGOPGUXWESNPKS-UHFFFAOYSA-N 1 0 314.385 3.770 20 5 DHBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000137538816 1017174383 /nfs/dbraw/zinc/17/43/83/1017174383.db2.gz ZCSCDEMMJVQLHT-LLVKDONJSA-N 1 0 317.311 3.510 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCc1ccccc1F ZINC000475561898 1017428988 /nfs/dbraw/zinc/42/89/88/1017428988.db2.gz MPHRKTWOGIFPEQ-UHFFFAOYSA-N 1 0 302.349 3.765 20 5 DHBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444609441 1017588589 /nfs/dbraw/zinc/58/85/89/1017588589.db2.gz NCQPGHHXESBWSV-NEPJUHHUSA-N 1 0 316.405 3.870 20 5 DHBDRO C[N@H+](CCC1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444619721 1017594797 /nfs/dbraw/zinc/59/47/97/1017594797.db2.gz LCORZMIFDQNGEW-UHFFFAOYSA-N 1 0 316.405 3.873 20 5 DHBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686862 1017615347 /nfs/dbraw/zinc/61/53/47/1017615347.db2.gz UHSZBRBWSILBPI-WBMJQRKESA-N 1 0 316.405 3.872 20 5 DHBDRO CCSCC[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083216458 1017637364 /nfs/dbraw/zinc/63/73/64/1017637364.db2.gz VPGMBJAGZAWQAF-NSHDSACASA-N 1 0 323.418 3.700 20 5 DHBDRO CC[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000125801516 1032722070 /nfs/dbraw/zinc/72/20/70/1032722070.db2.gz SAXOTCJPMIEJDW-CYBMUJFWSA-N 1 0 315.373 3.524 20 5 DHBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000059384668 1017781704 /nfs/dbraw/zinc/78/17/04/1017781704.db2.gz AFXCUEPSNTWSSW-UHFFFAOYSA-N 1 0 314.385 3.884 20 5 DHBDRO CCSc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000185474800 1017825957 /nfs/dbraw/zinc/82/59/57/1017825957.db2.gz LVSKMOBHNUDVOE-UHFFFAOYSA-N 1 0 302.399 3.997 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000524425722 1017991596 /nfs/dbraw/zinc/99/15/96/1017991596.db2.gz BVBHQURVZXBBKX-IBGZPJMESA-N 1 0 310.397 3.844 20 5 DHBDRO COc1ccc(C2([NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000524687547 1018068839 /nfs/dbraw/zinc/06/88/39/1018068839.db2.gz UDYHZXICQDVUOG-UHFFFAOYSA-N 1 0 312.369 3.691 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000173415605 1018205330 /nfs/dbraw/zinc/20/53/30/1018205330.db2.gz KFLCWLNIYHFWNS-KGLIPLIRSA-N 1 0 300.358 3.713 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000173415588 1018205672 /nfs/dbraw/zinc/20/56/72/1018205672.db2.gz KFLCWLNIYHFWNS-KBPBESRZSA-N 1 0 300.358 3.713 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441222524 1018346145 /nfs/dbraw/zinc/34/61/45/1018346145.db2.gz FPPQSIZFQUZLEO-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO CC1CCC(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447527653 1018404966 /nfs/dbraw/zinc/40/49/66/1018404966.db2.gz GWRIFUOGXFZNPP-QDIHITRGSA-N 1 0 320.437 3.691 20 5 DHBDRO CC(C)[NH+](CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000447511432 1018407772 /nfs/dbraw/zinc/40/77/72/1018407772.db2.gz UHVXBOBIFMQHCW-GOSISDBHSA-N 1 0 319.449 3.681 20 5 DHBDRO CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537992 1018411248 /nfs/dbraw/zinc/41/12/48/1018411248.db2.gz ACSVKNPOJHACCQ-ROUUACIJSA-N 1 0 320.433 3.749 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000447595995 1018434666 /nfs/dbraw/zinc/43/46/66/1018434666.db2.gz BFLRXYTULWFHBZ-RHSMWYFYSA-N 1 0 317.433 3.571 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000246310895 1018446827 /nfs/dbraw/zinc/44/68/27/1018446827.db2.gz QSYQACRTTJGJDV-LSDHHAIUSA-N 1 0 318.398 3.527 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC000765128547 1018482759 /nfs/dbraw/zinc/48/27/59/1018482759.db2.gz VOFZVGJXARYGHE-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO CCSCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168132485 1018698984 /nfs/dbraw/zinc/69/89/84/1018698984.db2.gz VSDLMDYPLVIAGT-JTQLQIEISA-N 1 0 302.827 3.870 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000765305424 1018750890 /nfs/dbraw/zinc/75/08/90/1018750890.db2.gz PFVWJVUIQUNRJI-KBPBESRZSA-N 1 0 314.385 3.807 20 5 DHBDRO CC[C@@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001168693470 1019069853 /nfs/dbraw/zinc/06/98/53/1019069853.db2.gz MNEJLQUTXYUCQK-ZIAGYGMSSA-N 1 0 323.437 3.772 20 5 DHBDRO CCCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312403 1019265091 /nfs/dbraw/zinc/26/50/91/1019265091.db2.gz SDSJJWAZAXAATC-UHFFFAOYSA-N 1 0 305.403 3.998 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001202761118 1032819726 /nfs/dbraw/zinc/81/97/26/1032819726.db2.gz ZZELEQBQBDARFM-ZWNOBZJWSA-N 1 0 314.332 3.720 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000611272270 1019429032 /nfs/dbraw/zinc/42/90/32/1019429032.db2.gz UVMGFBMAHYHZIF-UTCJRWHESA-N 1 0 316.401 3.501 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000611272386 1019432397 /nfs/dbraw/zinc/43/23/97/1019432397.db2.gz FOWFAHWGXITTKI-UHFFFAOYSA-N 1 0 306.406 3.719 20 5 DHBDRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000611299894 1019440942 /nfs/dbraw/zinc/44/09/42/1019440942.db2.gz OGVVFZMDAYLGNA-CABCVRRESA-N 1 0 313.401 3.970 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2SCCS2)c(Cl)c1 ZINC000693829676 1019492928 /nfs/dbraw/zinc/49/29/28/1019492928.db2.gz LNGHHLLXFRLDKW-UHFFFAOYSA-N 1 0 318.851 3.534 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(Cl)o1)C1CC1 ZINC000611466084 1019492930 /nfs/dbraw/zinc/49/29/30/1019492930.db2.gz XCJTWGZFAJYNES-AWEZNQCLSA-N 1 0 320.776 3.952 20 5 DHBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301446597 1019627851 /nfs/dbraw/zinc/62/78/51/1019627851.db2.gz QGMHKRQPMNNMPP-LLVKDONJSA-N 1 0 317.311 3.508 20 5 DHBDRO C[C@@H](C[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000727427989 1019713232 /nfs/dbraw/zinc/71/32/32/1019713232.db2.gz LCBBYBJGAFNRID-AWEZNQCLSA-N 1 0 324.384 3.638 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC[NH+]1CCCC1 ZINC000315394609 1019824464 /nfs/dbraw/zinc/82/44/64/1019824464.db2.gz DRRFGKVAYDTMPU-UHFFFAOYSA-N 1 0 317.311 3.511 20 5 DHBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000316791930 1019939464 /nfs/dbraw/zinc/93/94/64/1019939464.db2.gz NWIVUCTWTJBQJP-KOLCDFICSA-N 1 0 317.311 3.508 20 5 DHBDRO CCOc1cccc(NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000317489850 1019986530 /nfs/dbraw/zinc/98/65/30/1019986530.db2.gz BREMCEGBVHQEHC-UHFFFAOYSA-N 1 0 309.410 3.524 20 5 DHBDRO CC[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000123809858 1020105894 /nfs/dbraw/zinc/10/58/94/1020105894.db2.gz CHMQYRHCAUIYKE-ZDUSSCGKSA-N 1 0 320.414 3.574 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000155256897 1020207622 /nfs/dbraw/zinc/20/76/22/1020207622.db2.gz CIBUGZWNQLXINI-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155801317 1020274969 /nfs/dbraw/zinc/27/49/69/1020274969.db2.gz MMXSKTOQQZTWOD-RHSMWYFYSA-N 1 0 314.385 3.503 20 5 DHBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000553421950 1020298969 /nfs/dbraw/zinc/29/89/69/1020298969.db2.gz MYTMUJPLRPJMPY-GPAKFWEMSA-N 1 0 312.369 3.534 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000282150636 1020361100 /nfs/dbraw/zinc/36/11/00/1020361100.db2.gz SRKOCOCDJHTTMJ-CJNGLKHVSA-N 1 0 304.390 3.595 20 5 DHBDRO Cc1c(C[NH2+]C2(c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000179697073 1020437054 /nfs/dbraw/zinc/43/70/54/1020437054.db2.gz ATAGWSVRVHBQCF-UHFFFAOYSA-N 1 0 300.333 3.821 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](c1ccco1)[NH+](C)C ZINC000302759056 1020438186 /nfs/dbraw/zinc/43/81/86/1020438186.db2.gz JNOMAZAKRDXZBE-ZDUSSCGKSA-N 1 0 323.780 3.864 20 5 DHBDRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000765846798 1020489570 /nfs/dbraw/zinc/48/95/70/1020489570.db2.gz YHGOGFQRNLLJHI-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848160 1020492096 /nfs/dbraw/zinc/49/20/96/1020492096.db2.gz GNGHQISSCCJWJM-IXDOHACOSA-N 1 0 320.433 3.823 20 5 DHBDRO CC(C)C[NH+](CC(C)C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000057394918 1020544672 /nfs/dbraw/zinc/54/46/72/1020544672.db2.gz FHCDKFXTLXFSPN-UHFFFAOYSA-N 1 0 304.394 3.516 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000615721294 1020577119 /nfs/dbraw/zinc/57/71/19/1020577119.db2.gz YKCFCZSLXQCUGN-DZXKJOIRSA-N 1 0 308.381 3.928 20 5 DHBDRO CCC[C@H]([NH2+][C@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353508893 1020577736 /nfs/dbraw/zinc/57/77/36/1020577736.db2.gz HNSJXPVRAHDNIE-DLBZAZTESA-N 1 0 306.406 3.577 20 5 DHBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)c1Cl ZINC001217961404 1020647485 /nfs/dbraw/zinc/64/74/85/1020647485.db2.gz BKWRVMJLFKOSGM-MRVPVSSYSA-N 1 0 319.188 3.595 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCOc1ccccc1F ZINC000734835444 1020668444 /nfs/dbraw/zinc/66/84/44/1020668444.db2.gz VZTQXOYWQFNZES-UHFFFAOYSA-N 1 0 324.739 3.556 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000735323548 1020719601 /nfs/dbraw/zinc/71/96/01/1020719601.db2.gz CGXJUCIYMICPCO-OAHLLOKOSA-N 1 0 310.397 3.798 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000581380361 1020884226 /nfs/dbraw/zinc/88/42/26/1020884226.db2.gz RJOXTDGARLKCOB-GTNSWQLSSA-N 1 0 322.368 3.809 20 5 DHBDRO CCC(O)(CC)C(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581500455 1020892536 /nfs/dbraw/zinc/89/25/36/1020892536.db2.gz SQMBCPPJSJXVCS-CYBMUJFWSA-N 1 0 308.422 3.823 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC000858576037 1032951929 /nfs/dbraw/zinc/95/19/29/1032951929.db2.gz GRCHUDOHHLYXBD-HZMBPMFUSA-N 1 0 303.387 3.780 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000452083491 1021183396 /nfs/dbraw/zinc/18/33/96/1021183396.db2.gz JWWXEXRAUJCCFU-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277257 1021208049 /nfs/dbraw/zinc/20/80/49/1021208049.db2.gz MDQKKMJOLPDLPC-DLBZAZTESA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776274235 1021218070 /nfs/dbraw/zinc/21/80/70/1021218070.db2.gz CHQRWECPMMJREC-KDOFPFPSSA-N 1 0 314.385 3.630 20 5 DHBDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776274238 1021218412 /nfs/dbraw/zinc/21/84/12/1021218412.db2.gz CHQRWECPMMJREC-RDTXWAMCSA-N 1 0 314.385 3.630 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2C2CCCCC2)cc1 ZINC000776276465 1021220142 /nfs/dbraw/zinc/22/01/42/1021220142.db2.gz KAIJZDXKITWLEX-ZWKOTPCHSA-N 1 0 318.417 3.673 20 5 DHBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278164 1021227005 /nfs/dbraw/zinc/22/70/05/1021227005.db2.gz RVTFIBQZNPFBSJ-XKQJLSEDSA-N 1 0 306.406 3.529 20 5 DHBDRO CCCC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H](C)CC ZINC000917438489 1021260688 /nfs/dbraw/zinc/26/06/88/1021260688.db2.gz WDDRQUJWJARJSR-ZDUSSCGKSA-N 1 0 304.394 3.803 20 5 DHBDRO O=[N+]([O-])c1ccc2cnn(C[N@H+](C3CC3)C3CCCCC3)c2c1 ZINC000917428586 1021266574 /nfs/dbraw/zinc/26/65/74/1021266574.db2.gz BVJCPYLWEVHAQP-UHFFFAOYSA-N 1 0 314.389 3.699 20 5 DHBDRO CC[N@H+](CC(C)C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000917454749 1021272135 /nfs/dbraw/zinc/27/21/35/1021272135.db2.gz ZZOKPOKHBVCTMR-UHFFFAOYSA-N 1 0 309.391 3.807 20 5 DHBDRO Cc1nn(C[N@@H+]2CCCC3(C2)CCCCCC3)c(C)c1[N+](=O)[O-] ZINC000743385498 1021279215 /nfs/dbraw/zinc/27/92/15/1021279215.db2.gz JVBIIKFCZCRRFD-UHFFFAOYSA-N 1 0 320.437 3.802 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC3(CCC3)C1)CCC2 ZINC000618572102 1021424524 /nfs/dbraw/zinc/42/45/24/1021424524.db2.gz ZAOGNNPRNUYVNU-WMLDXEAASA-N 1 0 316.401 3.664 20 5 DHBDRO CCC1(O)CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618571467 1021429281 /nfs/dbraw/zinc/42/92/81/1021429281.db2.gz TVUMBXDQIYVIRR-GMXGEUMGSA-N 1 0 318.417 3.646 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000194620188 1021498128 /nfs/dbraw/zinc/49/81/28/1021498128.db2.gz WLJHIUWCXUGKKC-MRXNPFEDSA-N 1 0 312.369 3.771 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000850441501 1021536100 /nfs/dbraw/zinc/53/61/00/1021536100.db2.gz AOEUARDXJXGSSO-ZDUSSCGKSA-N 1 0 312.369 3.771 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850553754 1021600901 /nfs/dbraw/zinc/60/09/01/1021600901.db2.gz CEZJOZXEWGPBLD-QSZRKCJJSA-N 1 0 309.385 3.744 20 5 DHBDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000541117836 1021652866 /nfs/dbraw/zinc/65/28/66/1021652866.db2.gz KGCYKZYAHSVMFI-QEJZJMRPSA-N 1 0 304.390 3.614 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000609287616 1021675900 /nfs/dbraw/zinc/67/59/00/1021675900.db2.gz DQVPZDAERMKJOA-GXTWGEPZSA-N 1 0 306.406 3.908 20 5 DHBDRO O=C(CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000182488139 1021685864 /nfs/dbraw/zinc/68/58/64/1021685864.db2.gz SFGSELZLSWREMH-UHFFFAOYSA-N 1 0 324.380 3.832 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000290297503 1021717487 /nfs/dbraw/zinc/71/74/87/1021717487.db2.gz NIDZEBOEZLAYCF-ZIAGYGMSSA-N 1 0 312.369 3.730 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000122563190 1021735845 /nfs/dbraw/zinc/73/58/45/1021735845.db2.gz VZXFLTLHPWYKHR-UHFFFAOYSA-N 1 0 324.739 3.686 20 5 DHBDRO O=[N+]([O-])c1ccsc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619499431 1021774840 /nfs/dbraw/zinc/77/48/40/1021774840.db2.gz RHMWQXKKUWIFDA-CQSZACIVSA-N 1 0 317.414 3.590 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000556609940 1021795470 /nfs/dbraw/zinc/79/54/70/1021795470.db2.gz WGQUYCFRBSGNBI-DESUXHOBSA-N 1 0 316.401 3.642 20 5 DHBDRO CCc1ccc(C2=CCN(Cc3cccnc3[N+](=O)[O-])CC2)cc1 ZINC001168776835 1021947144 /nfs/dbraw/zinc/94/71/44/1021947144.db2.gz XSDNWBNRKJRTQU-UHFFFAOYSA-N 1 0 323.396 3.842 20 5 DHBDRO C[NH+](C)C1(CNc2cccc(F)c2[N+](=O)[O-])CCCCCC1 ZINC000919961921 1021986439 /nfs/dbraw/zinc/98/64/39/1021986439.db2.gz AIMLJXDDFLQNOU-UHFFFAOYSA-N 1 0 309.385 3.800 20 5 DHBDRO CC[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271460600 1022079526 /nfs/dbraw/zinc/07/95/26/1022079526.db2.gz JYMLNUBBULGUSJ-IAGOWNOFSA-N 1 0 318.348 3.508 20 5 DHBDRO Cc1nn(C(C)C)cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000341411015 1022123780 /nfs/dbraw/zinc/12/37/80/1022123780.db2.gz VXKIBMYXAOQGML-UHFFFAOYSA-N 1 0 316.405 3.706 20 5 DHBDRO CCC[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000766480990 1022128347 /nfs/dbraw/zinc/12/83/47/1022128347.db2.gz YBOXWHUAXHNSDL-ARWYELJZSA-N 1 0 306.406 3.719 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C(F)(F)F ZINC001168979247 1022196771 /nfs/dbraw/zinc/19/67/71/1022196771.db2.gz XSPQUOUGRDIBQX-QWHCGFSZSA-N 1 0 316.323 3.549 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC001168976554 1022196966 /nfs/dbraw/zinc/19/69/66/1022196966.db2.gz DPQXUSIUOUGCRV-XOYOTBSWSA-N 1 0 302.418 3.748 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C/C(=C/F)CCc2ccc(F)cc2)C1 ZINC001168980634 1022197079 /nfs/dbraw/zinc/19/70/79/1022197079.db2.gz FDNSZEFTOILCFA-FPZAFUISSA-N 1 0 324.371 3.647 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(F)c2)C2CCC2)C1 ZINC001168984309 1022199970 /nfs/dbraw/zinc/19/99/70/1022199970.db2.gz LTRBFKCBZVEVBT-DQYPLSBCSA-N 1 0 306.381 3.702 20 5 DHBDRO CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168984290 1022199995 /nfs/dbraw/zinc/19/99/95/1022199995.db2.gz LRUAGIHDYBRECQ-COXVUDFISA-N 1 0 308.397 3.948 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(-c3cccs3)c2)C1 ZINC001168985274 1022200113 /nfs/dbraw/zinc/20/01/13/1022200113.db2.gz SRCLNWRDQCEXIO-ZBFHGGJFSA-N 1 0 316.426 3.950 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC001168966956 1022202927 /nfs/dbraw/zinc/20/29/27/1022202927.db2.gz MLKFRRLDDRDQDN-BXKDBHETSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC001168966307 1022203404 /nfs/dbraw/zinc/20/34/04/1022203404.db2.gz HTHAYAFOQHQTNL-SKDRFNHKSA-N 1 0 303.189 3.528 20 5 DHBDRO Cc1cc(Cl)cc(Cl)c1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168973895 1022206492 /nfs/dbraw/zinc/20/64/92/1022206492.db2.gz PIGAXFUQNCKOIP-PWSUYJOCSA-N 1 0 317.216 3.837 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(F)c1 ZINC001168974447 1022207406 /nfs/dbraw/zinc/20/74/06/1022207406.db2.gz QKGBICBTNWATAO-SCVCMEIPSA-N 1 0 300.761 3.575 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)cc(Cl)c1 ZINC001169004164 1022211667 /nfs/dbraw/zinc/21/16/67/1022211667.db2.gz QIRZZSBOCICLIZ-GPCCPHFNSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001169012827 1022214205 /nfs/dbraw/zinc/21/42/05/1022214205.db2.gz SEWUFRZNKIRYOK-CXAGYDPISA-N 1 0 322.836 3.965 20 5 DHBDRO CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168986706 1022216593 /nfs/dbraw/zinc/21/65/93/1022216593.db2.gz YQAKDULCYZKYOB-COXVUDFISA-N 1 0 308.397 3.948 20 5 DHBDRO C[Si](C)(C)C[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036765 1022221337 /nfs/dbraw/zinc/22/13/37/1022221337.db2.gz PWTVAZATLCAKBH-IRXDYDNUSA-N 1 0 320.509 3.811 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Cc3ccccc3F)CC2)C1 ZINC001169034989 1022221708 /nfs/dbraw/zinc/22/17/08/1022221708.db2.gz JNQJEDVFKJZGMX-DOTOQJQBSA-N 1 0 320.408 3.526 20 5 DHBDRO C[Si](C)(C)C[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036769 1022222337 /nfs/dbraw/zinc/22/23/37/1022222337.db2.gz PWTVAZATLCAKBH-SJORKVTESA-N 1 0 320.509 3.811 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001169039794 1022223805 /nfs/dbraw/zinc/22/38/05/1022223805.db2.gz UBDYVHANYWMHCE-XNRPHZJLSA-N 1 0 308.809 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001169041148 1022224547 /nfs/dbraw/zinc/22/45/47/1022224547.db2.gz BCDHREXMOVGFAQ-UHOFOFEASA-N 1 0 308.809 3.922 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001169041139 1022225253 /nfs/dbraw/zinc/22/52/53/1022225253.db2.gz BCDHREXMOVGFAQ-DAXOMENPSA-N 1 0 308.809 3.922 20 5 DHBDRO CC[N@H+](CCNc1ccc(C(F)F)cc1[N+](=O)[O-])C(C)C ZINC000853254153 1022245243 /nfs/dbraw/zinc/24/52/43/1022245243.db2.gz WFHLLRDVIYJOAC-UHFFFAOYSA-N 1 0 301.337 3.675 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1ccncc1[N+](=O)[O-])c1ccsc1 ZINC000066808747 1022271992 /nfs/dbraw/zinc/27/19/92/1022271992.db2.gz CMKWNYWIQXUVBY-CQSZACIVSA-N 1 0 320.418 3.546 20 5 DHBDRO CC(C)Oc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000195582102 1022304373 /nfs/dbraw/zinc/30/43/73/1022304373.db2.gz VXPWMHKLSMJHGN-UHFFFAOYSA-N 1 0 314.385 3.714 20 5 DHBDRO Cc1ccc(C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000610090218 1022418462 /nfs/dbraw/zinc/41/84/62/1022418462.db2.gz WGXGEEMKQGCYQF-FZKQIMNGSA-N 1 0 320.433 3.570 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000179583174 1022475862 /nfs/dbraw/zinc/47/58/62/1022475862.db2.gz JSPYWNCQALSKGI-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000337545553 1033063449 /nfs/dbraw/zinc/06/34/49/1033063449.db2.gz LLGCVWAGOXXVMT-MELADBBJSA-N 1 0 314.332 3.796 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CO)CCCCC1 ZINC000615724198 1022546706 /nfs/dbraw/zinc/54/67/06/1022546706.db2.gz SAKXTAYATIPJGT-GDNBJRDFSA-N 1 0 318.417 3.531 20 5 DHBDRO CC[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000616487716 1022548141 /nfs/dbraw/zinc/54/81/41/1022548141.db2.gz NJLFJZNYECLHHV-QGZVFWFLSA-N 1 0 316.357 3.514 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOc2ccccc2C1 ZINC000615836114 1022569032 /nfs/dbraw/zinc/56/90/32/1022569032.db2.gz WXFURHCSCSBZHO-RVDMUPIBSA-N 1 0 324.380 3.893 20 5 DHBDRO CC[C@H](O)CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311392 1022678447 /nfs/dbraw/zinc/67/84/47/1022678447.db2.gz OTEZXIUANSYGRG-RDJZCZTQSA-N 1 0 306.406 3.503 20 5 DHBDRO CCC[C@H](CCO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314586 1022678803 /nfs/dbraw/zinc/67/88/03/1022678803.db2.gz RLNOTDZBZMPNLP-KDOFPFPSSA-N 1 0 320.433 3.751 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CC(C)C ZINC000417387340 1022718818 /nfs/dbraw/zinc/71/88/18/1022718818.db2.gz ZAPLVGDQUZQEBN-GOEBONIOSA-N 1 0 308.422 3.567 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@H](C)O1 ZINC000417388172 1022725529 /nfs/dbraw/zinc/72/55/29/1022725529.db2.gz ZNLODCKLDLRZJX-OSDKZWGASA-N 1 0 318.417 3.765 20 5 DHBDRO CC[NH+](CC)[C@H](C)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000236869255 1022807041 /nfs/dbraw/zinc/80/70/41/1022807041.db2.gz WPCKAFAXVHULPP-CQSZACIVSA-N 1 0 307.438 3.538 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173342658 1022818504 /nfs/dbraw/zinc/81/85/04/1022818504.db2.gz JAFTWLISGHTOBN-GUYCJALGSA-N 1 0 300.358 3.633 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c(Cl)c1 ZINC000856805270 1022871542 /nfs/dbraw/zinc/87/15/42/1022871542.db2.gz LVWGDHUILQREEC-SECBINFHSA-N 1 0 323.607 3.922 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000768101995 1022886272 /nfs/dbraw/zinc/88/62/72/1022886272.db2.gz LNJPWXYAFLRMSH-FPMFFAJLSA-N 1 0 324.446 3.928 20 5 DHBDRO Cc1c(NCCC[N@H+]2CCCC[C@H]2C)cc(F)cc1[N+](=O)[O-] ZINC001167750781 1023022849 /nfs/dbraw/zinc/02/28/49/1023022849.db2.gz CDZGNRSJLIUSPR-GFCCVEGCSA-N 1 0 309.385 3.719 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000123842410 1023077007 /nfs/dbraw/zinc/07/70/07/1023077007.db2.gz FNGLHVFFMFASGC-ZFWWWQNUSA-N 1 0 312.369 3.558 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000382154525 1023183993 /nfs/dbraw/zinc/18/39/93/1023183993.db2.gz OPUYRYOVGGNYLF-QTISTPMNSA-N 1 0 318.417 3.908 20 5 DHBDRO CC[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770306524 1023295021 /nfs/dbraw/zinc/29/50/21/1023295021.db2.gz YFRXDEMENZUEKS-JTQLQIEISA-N 1 0 313.195 3.589 20 5 DHBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000770751058 1023348770 /nfs/dbraw/zinc/34/87/70/1023348770.db2.gz TXZLPFFZTSMZQC-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO CN(c1nc2c(ccc3ccccc32)nc1Cl)C(C)(C)C[NH3+] ZINC001170055771 1023670307 /nfs/dbraw/zinc/67/03/07/1023670307.db2.gz JJJNYDLSOWOSRM-UHFFFAOYSA-N 1 0 314.820 3.610 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNc1ccccc1 ZINC000786817872 1023730582 /nfs/dbraw/zinc/73/05/82/1023730582.db2.gz XCRXBYHERQJBOO-QINSGFPZSA-N 1 0 311.385 3.700 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnc(C)s1 ZINC000786818062 1023731210 /nfs/dbraw/zinc/73/12/10/1023731210.db2.gz IVFMFVWXFNDQSW-WQLSENKSSA-N 1 0 317.414 3.595 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432251089 1023823420 /nfs/dbraw/zinc/82/34/20/1023823420.db2.gz QAOXMEXVIFFCSO-UHFFFAOYSA-N 1 0 320.433 3.977 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000049183466 1023839357 /nfs/dbraw/zinc/83/93/57/1023839357.db2.gz CHORQBPCEXZSSC-NSHDSACASA-N 1 0 306.387 3.824 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562131 1023905368 /nfs/dbraw/zinc/90/53/68/1023905368.db2.gz JHTVODVFVANXLM-NWDGAFQWSA-N 1 0 317.364 3.598 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788637932 1023917451 /nfs/dbraw/zinc/91/74/51/1023917451.db2.gz CGBKBQIBNDLUFE-QLJPJBMISA-N 1 0 315.348 3.654 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815129 1023929528 /nfs/dbraw/zinc/92/95/28/1023929528.db2.gz XXMIEIOTZFETNI-UHFFFAOYSA-N 1 0 310.353 3.590 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000268733075 1024148353 /nfs/dbraw/zinc/14/83/53/1024148353.db2.gz CQALZTIZDVVKTC-SJORKVTESA-N 1 0 318.348 3.508 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000268793876 1024162322 /nfs/dbraw/zinc/16/23/22/1024162322.db2.gz CUMGTRUKBLUMPS-JTQLQIEISA-N 1 0 322.311 3.732 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000268806045 1024166022 /nfs/dbraw/zinc/16/60/22/1024166022.db2.gz RWLPYPQHDHOSCW-DLBZAZTESA-N 1 0 318.348 3.508 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)cccc1[N+](=O)[O-] ZINC000269052910 1024232229 /nfs/dbraw/zinc/23/22/29/1024232229.db2.gz RPCHTFHESHDZOX-LRDDRELGSA-N 1 0 320.414 3.523 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000269725267 1024309154 /nfs/dbraw/zinc/30/91/54/1024309154.db2.gz VQUWWNGAYWBYRN-BDJLRTHQSA-N 1 0 320.776 3.632 20 5 DHBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877004320 1033203818 /nfs/dbraw/zinc/20/38/18/1033203818.db2.gz KOKZAHGJADRFSJ-PBMMVSLJSA-N 1 0 320.437 3.689 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883274729 1024344853 /nfs/dbraw/zinc/34/48/53/1024344853.db2.gz SRIUEGOVEOHLMK-JQWIXIFHSA-N 1 0 313.348 3.653 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000105447172 1024379191 /nfs/dbraw/zinc/37/91/91/1024379191.db2.gz VYTQOAFXQASOAY-NSHDSACASA-N 1 0 320.776 3.675 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)cc1[N+](=O)[O-] ZINC000883367393 1024406802 /nfs/dbraw/zinc/40/68/02/1024406802.db2.gz OKMZIGPUANQODJ-XYPHTWIQSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000270630313 1024409099 /nfs/dbraw/zinc/40/90/99/1024409099.db2.gz MALHXNMYNARLMK-TYNCELHUSA-N 1 0 320.414 3.819 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCC3(COC3)CC1)CCC2 ZINC000883381530 1024413569 /nfs/dbraw/zinc/41/35/69/1024413569.db2.gz OSJFXHVVXNYXST-QGZVFWFLSA-N 1 0 316.401 3.521 20 5 DHBDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000270737657 1024423266 /nfs/dbraw/zinc/42/32/66/1024423266.db2.gz SZDDQXUOMLJQOA-NSHDSACASA-N 1 0 320.414 3.572 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000453298677 1024446631 /nfs/dbraw/zinc/44/66/31/1024446631.db2.gz WPOKFIKXFZRSFY-KDOFPFPSSA-N 1 0 314.385 3.503 20 5 DHBDRO Cc1nc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 ZINC000271286269 1024481520 /nfs/dbraw/zinc/48/15/20/1024481520.db2.gz LOXYCMAAKZLUMV-UHFFFAOYSA-N 1 0 319.430 3.813 20 5 DHBDRO C[C@H](CCC1CCCCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877042085 1033215882 /nfs/dbraw/zinc/21/58/82/1033215882.db2.gz MIEUFCIHYSANBB-IUDNXUCKSA-N 1 0 320.437 3.833 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453422589 1024517951 /nfs/dbraw/zinc/51/79/51/1024517951.db2.gz MUXLJIHMRDYSOX-HUUCEWRRSA-N 1 0 320.433 3.711 20 5 DHBDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000271568239 1024541622 /nfs/dbraw/zinc/54/16/22/1024541622.db2.gz WTEDTKPQYZVVDM-ZUZCIYMTSA-N 1 0 324.377 3.661 20 5 DHBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)O1 ZINC000453624385 1024548626 /nfs/dbraw/zinc/54/86/26/1024548626.db2.gz CKHHNMZIXGIHQY-DOMZBBRYSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[N@H+](C)C1CCCCC1 ZINC000532211989 1024577535 /nfs/dbraw/zinc/57/75/35/1024577535.db2.gz OCLABAYRDHJRKN-HNNXBMFYSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000532204589 1024578251 /nfs/dbraw/zinc/57/82/51/1024578251.db2.gz GOVJTYSJWXIDMM-CQSZACIVSA-N 1 0 317.433 3.571 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000532231291 1024583436 /nfs/dbraw/zinc/58/34/36/1024583436.db2.gz JVWCBXJMUOBKHJ-XHSDSOJGSA-N 1 0 319.449 3.817 20 5 DHBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000278944663 1024630500 /nfs/dbraw/zinc/63/05/00/1024630500.db2.gz YGPKYNHYIYOKJE-VIFPVBQESA-N 1 0 306.259 3.508 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCc2cccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000278989418 1024666667 /nfs/dbraw/zinc/66/66/67/1024666667.db2.gz DQKDAQASNIXSIE-KRWDZBQOSA-N 1 0 311.385 3.545 20 5 DHBDRO COc1cc(C[N@H+](C)C2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000349524807 1024724064 /nfs/dbraw/zinc/72/40/64/1024724064.db2.gz SMJDBMUENUPDJX-UHFFFAOYSA-N 1 0 322.405 3.623 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(C)cs2)c([N+](=O)[O-])c1 ZINC001170298395 1024729219 /nfs/dbraw/zinc/72/92/19/1024729219.db2.gz KXUQLWDORUOMST-GFCCVEGCSA-N 1 0 320.414 3.694 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC001170300218 1024729900 /nfs/dbraw/zinc/72/99/00/1024729900.db2.gz YOCXRZOGIVQVEA-NWDGAFQWSA-N 1 0 320.414 3.947 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC23CCCCC3)c([N+](=O)[O-])c1 ZINC001170318936 1024741297 /nfs/dbraw/zinc/74/12/97/1024741297.db2.gz SVMJWEBYYFRWOY-GUYCJALGSA-N 1 0 318.417 3.847 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)CC2CC2)c([N+](=O)[O-])c1 ZINC001170322414 1024741835 /nfs/dbraw/zinc/74/18/35/1024741835.db2.gz GFTVZKZKXYKJKP-CYBMUJFWSA-N 1 0 320.433 3.950 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170325993 1024743046 /nfs/dbraw/zinc/74/30/46/1024743046.db2.gz ZUSPOHBXRXZSFN-ZIAGYGMSSA-N 1 0 320.433 3.950 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@](C)(F)CC2)c([N+](=O)[O-])c1 ZINC001170330048 1024746778 /nfs/dbraw/zinc/74/67/78/1024746778.db2.gz XGVXQWNYIJANST-CXAGYDPISA-N 1 0 324.396 3.749 20 5 DHBDRO CC[C@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352788 1024748566 /nfs/dbraw/zinc/74/85/66/1024748566.db2.gz QGXPRGNHOOCBNH-HIFRSBDPSA-N 1 0 306.406 3.799 20 5 DHBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000111311336 1024754132 /nfs/dbraw/zinc/75/41/32/1024754132.db2.gz WKRPHYXXLJEKBQ-HNNXBMFYSA-N 1 0 317.414 3.869 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC001170348015 1024757175 /nfs/dbraw/zinc/75/71/75/1024757175.db2.gz URYCOZBPIMDGBO-JJRVBVJISA-N 1 0 318.417 3.799 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170347993 1024758059 /nfs/dbraw/zinc/75/80/59/1024758059.db2.gz UNJRKOODBWBGKX-MCIONIFRSA-N 1 0 306.406 3.655 20 5 DHBDRO CC(C)(C)c1cnc(C[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000279156891 1024767384 /nfs/dbraw/zinc/76/73/84/1024767384.db2.gz PLYWPLYZZRVIRC-UHFFFAOYSA-N 1 0 319.430 3.681 20 5 DHBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CC1 ZINC000112983372 1024788763 /nfs/dbraw/zinc/78/87/63/1024788763.db2.gz ZEWCFFFCIBVDMA-UHFFFAOYSA-N 1 0 315.373 3.524 20 5 DHBDRO C[C@H]([N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(C)(C)C ZINC000728897214 1024790730 /nfs/dbraw/zinc/79/07/30/1024790730.db2.gz LSNPBPAPCCUQJT-ZDUSSCGKSA-N 1 0 316.405 3.782 20 5 DHBDRO CC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@@H](C)C(C)C ZINC000728899888 1024918398 /nfs/dbraw/zinc/91/83/98/1024918398.db2.gz VCOVTWCXQJXQOE-AWEZNQCLSA-N 1 0 316.405 3.782 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000793243573 1024959928 /nfs/dbraw/zinc/95/99/28/1024959928.db2.gz SXUUKGBHTGCFKA-QZTJIDSGSA-N 1 0 314.385 3.587 20 5 DHBDRO CC(C)n1nccc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000279716766 1025181597 /nfs/dbraw/zinc/18/15/97/1025181597.db2.gz UIYQJBCHAXGSPS-UHFFFAOYSA-N 1 0 314.389 3.537 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC(C)(C)[C@H]1c1ccncc1 ZINC000353698544 1025204191 /nfs/dbraw/zinc/20/41/91/1025204191.db2.gz MZJYZUBQIXJFLC-QGZVFWFLSA-N 1 0 311.385 3.881 20 5 DHBDRO Cc1[nH]c(C2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884706793 1025232975 /nfs/dbraw/zinc/23/29/75/1025232975.db2.gz OGOFGAPUSSJQHS-UHFFFAOYSA-N 1 0 314.389 3.627 20 5 DHBDRO C[C@H](CCCC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000163384265 1025279340 /nfs/dbraw/zinc/27/93/40/1025279340.db2.gz CQJJIFPYYXSORC-LLVKDONJSA-N 1 0 304.312 3.848 20 5 DHBDRO COc1cc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353884233 1025280032 /nfs/dbraw/zinc/28/00/32/1025280032.db2.gz WIBUCUFZIHWPIH-OLZOCXBDSA-N 1 0 322.405 3.623 20 5 DHBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000728912323 1025336649 /nfs/dbraw/zinc/33/66/49/1025336649.db2.gz FZOXZJQTWLJAJZ-GFCCVEGCSA-N 1 0 300.333 3.853 20 5 DHBDRO Cc1nc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])sc1C ZINC000897459398 1025359354 /nfs/dbraw/zinc/35/93/54/1025359354.db2.gz LRLQENIESASIDO-JTQLQIEISA-N 1 0 305.403 3.561 20 5 DHBDRO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897461313 1025362648 /nfs/dbraw/zinc/36/26/48/1025362648.db2.gz ZULOYGOLOCUUNK-RRFJBIMHSA-N 1 0 306.406 3.636 20 5 DHBDRO COC1(C[C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000897465676 1025369399 /nfs/dbraw/zinc/36/93/99/1025369399.db2.gz ZKTXTBXZNVZHOU-ZIAGYGMSSA-N 1 0 306.406 3.636 20 5 DHBDRO COc1ccsc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466361 1025370147 /nfs/dbraw/zinc/37/01/47/1025370147.db2.gz SHXZJYOXJLSLGR-LLVKDONJSA-N 1 0 306.387 3.558 20 5 DHBDRO CO[C@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000885999974 1025431848 /nfs/dbraw/zinc/43/18/48/1025431848.db2.gz RIZSRHYGMBYKCS-AEFFLSMTSA-N 1 0 320.433 3.855 20 5 DHBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886014616 1025439264 /nfs/dbraw/zinc/43/92/64/1025439264.db2.gz LPEMKDSBRRWEEY-WFASDCNBSA-N 1 0 315.348 3.507 20 5 DHBDRO CC(C)[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000886046570 1025449788 /nfs/dbraw/zinc/44/97/88/1025449788.db2.gz JBOAUWHNVNKLMF-OAHLLOKOSA-N 1 0 303.337 3.616 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C2CC2)no1 ZINC000886270505 1025573347 /nfs/dbraw/zinc/57/33/47/1025573347.db2.gz FOAZFKKYKHKEEC-KPKJPENVSA-N 1 0 313.357 3.653 20 5 DHBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000355156787 1025617586 /nfs/dbraw/zinc/61/75/86/1025617586.db2.gz DPLFDNMEIDNVHM-IRXDYDNUSA-N 1 0 318.417 3.683 20 5 DHBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000355156786 1025619556 /nfs/dbraw/zinc/61/95/56/1025619556.db2.gz DPLFDNMEIDNVHM-IAGOWNOFSA-N 1 0 318.417 3.683 20 5 DHBDRO CCC(CC)C[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000051824664 1025907242 /nfs/dbraw/zinc/90/72/42/1025907242.db2.gz LRQNACPEWDZTSA-UHFFFAOYSA-N 1 0 322.405 3.719 20 5 DHBDRO COc1c(C)cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000729682329 1025926616 /nfs/dbraw/zinc/92/66/16/1025926616.db2.gz PQXRZGVMMIMZHT-UHFFFAOYSA-N 1 0 314.385 3.553 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222693 1025954489 /nfs/dbraw/zinc/95/44/89/1025954489.db2.gz ZQACSUXEEIIVGY-AWEZNQCLSA-N 1 0 304.390 3.548 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000886928716 1025983669 /nfs/dbraw/zinc/98/36/69/1025983669.db2.gz MMGIRQMBVGGXEY-MRXNPFEDSA-N 1 0 316.332 3.520 20 5 DHBDRO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000089511910 1026051594 /nfs/dbraw/zinc/05/15/94/1026051594.db2.gz IUKXHTHBBROFRH-SNVBAGLBSA-N 1 0 305.403 3.773 20 5 DHBDRO CCOCCC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000090722577 1026083468 /nfs/dbraw/zinc/08/34/68/1026083468.db2.gz HVWWYVBNYWTMPE-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000482574742 1026092910 /nfs/dbraw/zinc/09/29/10/1026092910.db2.gz GHLZZICUEXSDCX-GOSISDBHSA-N 1 0 314.360 3.898 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289853382 1026201072 /nfs/dbraw/zinc/20/10/72/1026201072.db2.gz QKURNTJARZUOOC-WQVCFCJDSA-N 1 0 304.390 3.545 20 5 DHBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCCCC2)nc1 ZINC000025370412 1026282490 /nfs/dbraw/zinc/28/24/90/1026282490.db2.gz DVACNHYJDYSECL-UHFFFAOYSA-N 1 0 318.421 3.591 20 5 DHBDRO CC1(C)CC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000808422242 1026284246 /nfs/dbraw/zinc/28/42/46/1026284246.db2.gz ZQZVDUONHQKZMI-LBPRGKRZSA-N 1 0 313.195 3.636 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000808721555 1026367364 /nfs/dbraw/zinc/36/73/64/1026367364.db2.gz OKLCZRHXPINWBZ-IYOUNJFTSA-N 1 0 314.385 3.676 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000747532732 1026417723 /nfs/dbraw/zinc/41/77/23/1026417723.db2.gz RPPNXDQHCXYVBG-MRXNPFEDSA-N 1 0 324.808 3.641 20 5 DHBDRO CCCCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000047628010 1026485772 /nfs/dbraw/zinc/48/57/72/1026485772.db2.gz STWJYHRDGNNCRW-UHFFFAOYSA-N 1 0 322.405 3.862 20 5 DHBDRO COC(C)(C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809953948 1026650602 /nfs/dbraw/zinc/65/06/02/1026650602.db2.gz OAXLOAVEFBPYTE-UHFFFAOYSA-N 1 0 321.204 3.758 20 5 DHBDRO COCC1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000419823386 1026764296 /nfs/dbraw/zinc/76/42/96/1026764296.db2.gz RZAVNHJFXXMZAD-GXDHUFHOSA-N 1 0 318.417 3.793 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](C4CCCC4)C3)nc2c1 ZINC000420959937 1026893070 /nfs/dbraw/zinc/89/30/70/1026893070.db2.gz FZQNHKZPBSXMGI-ZDUSSCGKSA-N 1 0 315.373 3.748 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421391211 1026978189 /nfs/dbraw/zinc/97/81/89/1026978189.db2.gz ABIAIUFDYORVJN-OAHLLOKOSA-N 1 0 320.433 3.703 20 5 DHBDRO CC[C@@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421392591 1026978849 /nfs/dbraw/zinc/97/88/49/1026978849.db2.gz XNZUYFXAUDLZHH-LLVKDONJSA-N 1 0 305.403 3.854 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2Cc3ccccc3C2)c1 ZINC000811483346 1027008605 /nfs/dbraw/zinc/00/86/05/1027008605.db2.gz GANSYDNTZMSQIY-UHFFFAOYSA-N 1 0 316.788 3.753 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(C)C)C(C)C ZINC000063495997 1027026819 /nfs/dbraw/zinc/02/68/19/1027026819.db2.gz TVWJYMMXDSTODI-UHFFFAOYSA-N 1 0 321.421 3.598 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000421864408 1027070942 /nfs/dbraw/zinc/07/09/42/1027070942.db2.gz XSYPXMFPNFCXDS-AEGPPILISA-N 1 0 322.405 3.602 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCc1ccccc1 ZINC000156947147 1027201228 /nfs/dbraw/zinc/20/12/28/1027201228.db2.gz LUZZVAXMPUVCCC-OAHLLOKOSA-N 1 0 314.385 3.771 20 5 DHBDRO Cc1ccc([C@H](C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422917689 1027372251 /nfs/dbraw/zinc/37/22/51/1027372251.db2.gz FNPHOEIDWCXDNV-AFAVFJNCSA-N 1 0 311.385 3.699 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295651002 1027373460 /nfs/dbraw/zinc/37/34/60/1027373460.db2.gz HJHQRCSUWKBUDP-AWEZNQCLSA-N 1 0 318.417 3.673 20 5 DHBDRO CCOC(=O)CC(C)(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178931 1027397158 /nfs/dbraw/zinc/39/71/58/1027397158.db2.gz UNDSSWVZARTUNV-CYBMUJFWSA-N 1 0 322.405 3.615 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000932197071 1027409898 /nfs/dbraw/zinc/40/98/98/1027409898.db2.gz CLEPZLVZCAKYQM-AWEZNQCLSA-N 1 0 317.414 3.506 20 5 DHBDRO C[C@H](NCC(C)(C)[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423286240 1027482538 /nfs/dbraw/zinc/48/25/38/1027482538.db2.gz GFOUGORGKPZUFN-NSHDSACASA-N 1 0 319.430 3.711 20 5 DHBDRO Cc1ccc(F)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000576130211 1027569308 /nfs/dbraw/zinc/56/93/08/1027569308.db2.gz JLKSOUPMJOQZBW-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000576478862 1027620636 /nfs/dbraw/zinc/62/06/36/1027620636.db2.gz FORAIHWOHJQSOL-PXAZEXFGSA-N 1 0 312.369 3.942 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000933089327 1027674593 /nfs/dbraw/zinc/67/45/93/1027674593.db2.gz QTGQHRZYLMDPLD-QGZVFWFLSA-N 1 0 318.417 3.542 20 5 DHBDRO C[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000813630507 1027691032 /nfs/dbraw/zinc/69/10/32/1027691032.db2.gz NCARCIUDKRDENY-LBPRGKRZSA-N 1 0 323.824 3.559 20 5 DHBDRO C[N@H+](CCCCOC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000577194569 1027724371 /nfs/dbraw/zinc/72/43/71/1027724371.db2.gz GRUZPGRFTPTARU-UHFFFAOYSA-N 1 0 308.422 3.664 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC=C(c2cccnc2)CC1 ZINC000365388479 1027936376 /nfs/dbraw/zinc/93/63/76/1027936376.db2.gz HGIOWYLPXZZERG-AWEZNQCLSA-N 1 0 309.369 3.840 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418907 1028039901 /nfs/dbraw/zinc/03/99/01/1028039901.db2.gz RIVSGLDEUQRGKY-PXAZEXFGSA-N 1 0 312.369 3.509 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Oc1ccccc1 ZINC000578083231 1028043693 /nfs/dbraw/zinc/04/36/93/1028043693.db2.gz PWQLNOFVBFPJLV-CXAGYDPISA-N 1 0 312.369 3.639 20 5 DHBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000601277403 1028056479 /nfs/dbraw/zinc/05/64/79/1028056479.db2.gz DDVJQGJLWWXGDJ-KRWDZBQOSA-N 1 0 312.369 3.689 20 5 DHBDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000217005692 1028068689 /nfs/dbraw/zinc/06/86/89/1028068689.db2.gz KEEDMOIZCTYQEY-OAHLLOKOSA-N 1 0 310.369 3.515 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934691551 1028073633 /nfs/dbraw/zinc/07/36/33/1028073633.db2.gz IVLFMKQUKJNIML-INIZCTEOSA-N 1 0 317.776 3.884 20 5 DHBDRO C[C@H](C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000578285701 1028111086 /nfs/dbraw/zinc/11/10/86/1028111086.db2.gz ROZJEHWLGMWOOQ-CQSZACIVSA-N 1 0 312.369 3.593 20 5 DHBDRO Cc1cccnc1C1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000367902825 1028258189 /nfs/dbraw/zinc/25/81/89/1028258189.db2.gz WYXKXFNOYCBFRP-AWEZNQCLSA-N 1 0 311.385 3.681 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000367918648 1028259516 /nfs/dbraw/zinc/25/95/16/1028259516.db2.gz RRWSLCYEGSZVPE-ZDUSSCGKSA-N 1 0 314.389 3.567 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000449091093 1028363134 /nfs/dbraw/zinc/36/31/34/1028363134.db2.gz PMIDCWRLNLRFNR-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@H]([NH2+][C@H]1CSc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582048 1028554879 /nfs/dbraw/zinc/55/48/79/1028554879.db2.gz WPIHUBGUJXUEHD-HZMBPMFUSA-N 1 0 315.398 3.675 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000010087131 1028555848 /nfs/dbraw/zinc/55/58/48/1028555848.db2.gz DVLFELKAXKUBPD-KRWDZBQOSA-N 1 0 312.369 3.941 20 5 DHBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571295 1028565241 /nfs/dbraw/zinc/56/52/41/1028565241.db2.gz ZXGGBQZIGFIYQQ-PXAZEXFGSA-N 1 0 311.385 3.824 20 5 DHBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1Cl ZINC000815616065 1028571184 /nfs/dbraw/zinc/57/11/84/1028571184.db2.gz FDTDGOFOXDZJCJ-LLVKDONJSA-N 1 0 319.792 3.990 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620353 1028572691 /nfs/dbraw/zinc/57/26/91/1028572691.db2.gz OMNWWEQKONGCEY-VHSXEESVSA-N 1 0 319.327 3.949 20 5 DHBDRO C[C@H](Nc1cc2c(c[nH+]1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627517 1028576741 /nfs/dbraw/zinc/57/67/41/1028576741.db2.gz CIHWINLWHFBPSO-NSHDSACASA-N 1 0 312.373 3.624 20 5 DHBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449412200 1028629750 /nfs/dbraw/zinc/62/97/50/1028629750.db2.gz BRNCNJSEZAZGEI-MRXNPFEDSA-N 1 0 316.357 3.512 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000566040938 1028669712 /nfs/dbraw/zinc/66/97/12/1028669712.db2.gz HWMPXRVBDOJGLG-UHFFFAOYSA-N 1 0 322.767 3.762 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000449493607 1028688559 /nfs/dbraw/zinc/68/85/59/1028688559.db2.gz LUDWVSPLRZZTSV-GFCCVEGCSA-N 1 0 314.332 3.519 20 5 DHBDRO Cc1cnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449499374 1028713405 /nfs/dbraw/zinc/71/34/05/1028713405.db2.gz MAERECMROZRPRW-AWEZNQCLSA-N 1 0 317.414 3.739 20 5 DHBDRO Cc1cnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449499378 1028715225 /nfs/dbraw/zinc/71/52/25/1028715225.db2.gz MAERECMROZRPRW-CQSZACIVSA-N 1 0 317.414 3.739 20 5 DHBDRO CCO[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000449510313 1028735595 /nfs/dbraw/zinc/73/55/95/1028735595.db2.gz XCGNAKACWQWIKY-DJDSVLOFSA-N 1 0 318.417 3.745 20 5 DHBDRO Cc1c(C[NH+]2CCC([C@@H]3CCCOC3)CC2)cccc1[N+](=O)[O-] ZINC000371626361 1028736600 /nfs/dbraw/zinc/73/66/00/1028736600.db2.gz GJOLKKSIKQRSEL-QGZVFWFLSA-N 1 0 318.417 3.542 20 5 DHBDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449618754 1028849799 /nfs/dbraw/zinc/84/97/99/1028849799.db2.gz ZUTCZFFRPGPFKS-WKILWMFISA-N 1 0 312.369 3.639 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@H](c3cccs3)C2)cs1 ZINC000449620694 1028858316 /nfs/dbraw/zinc/85/83/16/1028858316.db2.gz FSESCMODPPFECS-NEPJUHHUSA-N 1 0 324.427 3.728 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C(C)(C)O1 ZINC000567367190 1028879408 /nfs/dbraw/zinc/87/94/08/1028879408.db2.gz XPIRFORXKPFOJG-ZFWWWQNUSA-N 1 0 304.390 3.518 20 5 DHBDRO O=[N+]([O-])c1cccc(CNCc2ncoc2-c2ccccc2)c1 ZINC000372785701 1028902186 /nfs/dbraw/zinc/90/21/86/1028902186.db2.gz HODQFVUKPDYSPP-UHFFFAOYSA-N 1 0 309.325 3.540 20 5 DHBDRO CC(=O)N[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000817412023 1029152074 /nfs/dbraw/zinc/15/20/74/1029152074.db2.gz BJEIAOCUWLQOME-SFHVURJKSA-N 1 0 318.420 3.703 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCC2CC2)CC1 ZINC000374119978 1029211875 /nfs/dbraw/zinc/21/18/75/1029211875.db2.gz JCBFWDWOHFLFAK-ZDUSSCGKSA-N 1 0 304.390 3.547 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411863393 1029225335 /nfs/dbraw/zinc/22/53/35/1029225335.db2.gz CHKGGNGCWFRNHQ-UHFFFAOYSA-N 1 0 310.394 3.596 20 5 DHBDRO C[NH+](C)CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)C ZINC000569941397 1029287758 /nfs/dbraw/zinc/28/77/58/1029287758.db2.gz OLYOXWWGQTXGPW-DOTOQJQBSA-N 1 0 319.449 3.538 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000570443304 1029367055 /nfs/dbraw/zinc/36/70/55/1029367055.db2.gz XBPBEBXIVXPWLA-ZDUSSCGKSA-N 1 0 309.410 3.526 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000925229796 1029579870 /nfs/dbraw/zinc/57/98/70/1029579870.db2.gz IMYQHQLKDXTHTD-WBMJQRKESA-N 1 0 315.373 3.800 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000129987593 1029718179 /nfs/dbraw/zinc/71/81/79/1029718179.db2.gz HHWVTDWRFZFMFB-OAHLLOKOSA-N 1 0 318.417 3.719 20 5 DHBDRO CCC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000451277759 1029835437 /nfs/dbraw/zinc/83/54/37/1029835437.db2.gz SJSXKEGRNXMWKS-UHFFFAOYSA-N 1 0 319.405 3.544 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451332985 1029850771 /nfs/dbraw/zinc/85/07/71/1029850771.db2.gz ADZADYBRGRVGJP-GFOCRRMGSA-N 1 0 318.417 3.671 20 5 DHBDRO CCC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000451442719 1029875661 /nfs/dbraw/zinc/87/56/61/1029875661.db2.gz XBIWXSJOGLYLBJ-OAHLLOKOSA-N 1 0 321.421 3.646 20 5 DHBDRO COCCCCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550862 1029911485 /nfs/dbraw/zinc/91/14/85/1029911485.db2.gz SQNOGYDBDISTJR-MRXNPFEDSA-N 1 0 306.406 3.591 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCSC1 ZINC000865652402 1029961543 /nfs/dbraw/zinc/96/15/43/1029961543.db2.gz ZSRJKCTWEAGBHL-XXYUJHKVSA-N 1 0 306.431 3.731 20 5 DHBDRO CC(C)(C)OC1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000865698273 1029979305 /nfs/dbraw/zinc/97/93/05/1029979305.db2.gz MARWJVZQMFINSE-UHFFFAOYSA-N 1 0 312.435 3.872 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c(Cl)c1 ZINC000865762092 1030012559 /nfs/dbraw/zinc/01/25/59/1030012559.db2.gz LGFROJWXDMLDDA-CZUORRHYSA-N 1 0 324.808 3.543 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cs1 ZINC000865832777 1030046631 /nfs/dbraw/zinc/04/66/31/1030046631.db2.gz WQCBUGDQUCERKE-NXEZZACHSA-N 1 0 306.309 3.643 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000822827649 1030138229 /nfs/dbraw/zinc/13/82/29/1030138229.db2.gz RVHBIBDCHGQMDW-NXEZZACHSA-N 1 0 303.189 3.829 20 5 DHBDRO Cc1csc([C@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866256785 1030183127 /nfs/dbraw/zinc/18/31/27/1030183127.db2.gz POQRJFFLLOIHRP-ONGXEEELSA-N 1 0 323.393 3.781 20 5 DHBDRO C[C@H]1C[C@@H](Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000557589815 1030203675 /nfs/dbraw/zinc/20/36/75/1030203675.db2.gz ZHLJVTIAUDQWAM-WPRPVWTQSA-N 1 0 318.204 3.796 20 5 DHBDRO CSCCCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340356 1030240964 /nfs/dbraw/zinc/24/09/64/1030240964.db2.gz DKRCXMMFBCJVHY-GFCCVEGCSA-N 1 0 314.426 3.788 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000290900338 1030244919 /nfs/dbraw/zinc/24/49/19/1030244919.db2.gz NXEIUFRLNNCLTF-GZMMTYOYSA-N 1 0 319.188 3.559 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC(F)(F)F ZINC000866376604 1030266615 /nfs/dbraw/zinc/26/66/15/1030266615.db2.gz XJHRLPFZHSNOMW-ZJUUUORDSA-N 1 0 322.302 3.843 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@@H]1CCSC1)C1CC1 ZINC000866403418 1030283095 /nfs/dbraw/zinc/28/30/95/1030283095.db2.gz SWDJDKIZNVZCFX-CZUORRHYSA-N 1 0 320.458 3.649 20 5 DHBDRO C[C@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000358038706 1030291125 /nfs/dbraw/zinc/29/11/25/1030291125.db2.gz PDLIXJFVXMDANT-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358158190 1030352279 /nfs/dbraw/zinc/35/22/79/1030352279.db2.gz PGPMSBWEQISJEB-SJORKVTESA-N 1 0 318.348 3.508 20 5 DHBDRO C[C@H]([NH2+]CCSCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000866542120 1030362027 /nfs/dbraw/zinc/36/20/27/1030362027.db2.gz WKXXNPZPXUJJBR-JTQLQIEISA-N 1 0 322.352 3.931 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1[N+](=O)[O-] ZINC000866540879 1030362802 /nfs/dbraw/zinc/36/28/02/1030362802.db2.gz SJOJEFWONLYUSU-KRWDZBQOSA-N 1 0 315.348 3.678 20 5 DHBDRO CC1(C)CC2(CC([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)C2)CO1 ZINC000925512594 1030380820 /nfs/dbraw/zinc/38/08/20/1030380820.db2.gz DIVQQUPWNUIVAC-UHFFFAOYSA-N 1 0 324.808 3.686 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000291578972 1030556413 /nfs/dbraw/zinc/55/64/13/1030556413.db2.gz OSSYZBKFIWCGHM-QMMMGPOBSA-N 1 0 321.229 3.744 20 5 DHBDRO CCCC[N@H+](CCCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000558421884 1030570438 /nfs/dbraw/zinc/57/04/38/1030570438.db2.gz JURRDQVTBGLWDG-UHFFFAOYSA-N 1 0 308.422 3.703 20 5 DHBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113347 1030621283 /nfs/dbraw/zinc/62/12/83/1030621283.db2.gz NVSSTEOCKICKJW-VIFPVBQESA-N 1 0 323.780 3.746 20 5 DHBDRO CCCc1nc(C)c(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000291752477 1030627725 /nfs/dbraw/zinc/62/77/25/1030627725.db2.gz QGXYQJAIRUPQEX-RMKNXTFCSA-N 1 0 315.373 3.647 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000824765490 1030628123 /nfs/dbraw/zinc/62/81/23/1030628123.db2.gz MCBZMVQCBSEPQQ-GFCCVEGCSA-N 1 0 303.189 3.577 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000824750309 1030635244 /nfs/dbraw/zinc/63/52/44/1030635244.db2.gz HHZNSXBDVIOEAA-GFCCVEGCSA-N 1 0 324.808 3.687 20 5 DHBDRO Cc1c(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000358824931 1030638190 /nfs/dbraw/zinc/63/81/90/1030638190.db2.gz NXZZQYULPRKJTD-UGSOOPFHSA-N 1 0 311.385 3.881 20 5 DHBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000824964098 1030671640 /nfs/dbraw/zinc/67/16/40/1030671640.db2.gz KATCNCFXRVRZJE-GFCCVEGCSA-N 1 0 303.189 3.658 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH+]2CCCCCCCC2)c2c(c1)COCO2 ZINC000824983616 1030693741 /nfs/dbraw/zinc/69/37/41/1030693741.db2.gz ZSGSTZJSZYOKAG-UHFFFAOYSA-N 1 0 320.389 3.618 20 5 DHBDRO CC(C)([NH2+]CCCC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000292075324 1030792091 /nfs/dbraw/zinc/79/20/91/1030792091.db2.gz FAONVGSWIYDQSO-UHFFFAOYSA-N 1 0 306.406 3.626 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCCC3(CC3)C2)c1 ZINC000339096091 1030888933 /nfs/dbraw/zinc/88/89/33/1030888933.db2.gz HXXOYWAQXYTGGA-UHFFFAOYSA-N 1 0 314.307 3.990 20 5 DHBDRO Cc1csc(C(C)(C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000255230232 1030981348 /nfs/dbraw/zinc/98/13/48/1030981348.db2.gz QFKVLIKGHMCKAG-VURMDHGXSA-N 1 0 317.414 3.898 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000927032030 1031042856 /nfs/dbraw/zinc/04/28/56/1031042856.db2.gz YAOZYKFWCMIDOF-SRVKXCTJSA-N 1 0 310.419 3.538 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000927066084 1031062495 /nfs/dbraw/zinc/06/24/95/1031062495.db2.gz KRWVNEDXBQQPOE-CXAGYDPISA-N 1 0 316.405 3.685 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000927068217 1031067861 /nfs/dbraw/zinc/06/78/61/1031067861.db2.gz FXVRXRSJOBCGQP-YEWWUXTCSA-N 1 0 318.417 3.759 20 5 DHBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1CCC1 ZINC000559094453 1031120001 /nfs/dbraw/zinc/12/00/01/1031120001.db2.gz IZYMGBIXVPCURL-UHFFFAOYSA-N 1 0 302.296 3.846 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000872024688 1031408038 /nfs/dbraw/zinc/40/80/38/1031408038.db2.gz CSXSLSNVQAACOW-LBPRGKRZSA-N 1 0 317.414 3.871 20 5 DHBDRO CCC(O)(CC)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872027011 1031409938 /nfs/dbraw/zinc/40/99/38/1031409938.db2.gz ATZGJBLAUOPIQY-LLVKDONJSA-N 1 0 312.435 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000872042549 1031428089 /nfs/dbraw/zinc/42/80/89/1031428089.db2.gz CBDWGTZNUHYUCG-RYUDHWBXSA-N 1 0 324.446 3.782 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000872042546 1031428615 /nfs/dbraw/zinc/42/86/15/1031428615.db2.gz CBDWGTZNUHYUCG-NWDGAFQWSA-N 1 0 324.446 3.782 20 5 DHBDRO CCOCCC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872049013 1031435337 /nfs/dbraw/zinc/43/53/37/1031435337.db2.gz OBKYKCXBDYQVKL-ZDUSSCGKSA-N 1 0 324.396 3.981 20 5 DHBDRO CC[C@H](O)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872049812 1031438981 /nfs/dbraw/zinc/43/89/81/1031438981.db2.gz VDUUYCVAKKWYJM-YPMHNXCESA-N 1 0 312.435 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCCCO ZINC000872054370 1031443201 /nfs/dbraw/zinc/44/32/01/1031443201.db2.gz UQVHITGQQXQCJJ-LBPRGKRZSA-N 1 0 312.435 3.520 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000872061119 1031453261 /nfs/dbraw/zinc/45/32/61/1031453261.db2.gz BUOAEKWERCHHKP-UWVGGRQHSA-N 1 0 309.366 3.645 20 5 DHBDRO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060601 1031453288 /nfs/dbraw/zinc/45/32/88/1031453288.db2.gz RWOGTIVXIKRODU-AGIUHOORSA-N 1 0 310.369 3.590 20 5 DHBDRO COC1CCC(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872062154 1031456781 /nfs/dbraw/zinc/45/67/81/1031456781.db2.gz JYIQWDUJTAUDKM-HSBZDZAISA-N 1 0 324.396 3.980 20 5 DHBDRO CC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000536868971 1031462450 /nfs/dbraw/zinc/46/24/50/1031462450.db2.gz IZRFVTSTVDMYSD-SFHVURJKSA-N 1 0 320.433 3.712 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000872071244 1031467770 /nfs/dbraw/zinc/46/77/70/1031467770.db2.gz LXPXCYMBPVIKQZ-OUJBWJOFSA-N 1 0 312.460 3.719 20 5 DHBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872076635 1031471172 /nfs/dbraw/zinc/47/11/72/1031471172.db2.gz OSHNBXALYYRWCD-ZLKJLUDKSA-N 1 0 310.419 3.535 20 5 DHBDRO C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872075840 1031471254 /nfs/dbraw/zinc/47/12/54/1031471254.db2.gz GTLPAXLOUVWBQE-QPUJVOFHSA-N 1 0 321.179 3.968 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000872075421 1031471894 /nfs/dbraw/zinc/47/18/94/1031471894.db2.gz CNCWLHFZIVURRU-JMSVASOKSA-N 1 0 324.446 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000872076126 1031472393 /nfs/dbraw/zinc/47/23/93/1031472393.db2.gz XZNSHYNXLZKEDW-QMTHXVAHSA-N 1 0 310.419 3.535 20 5 DHBDRO C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872088321 1031486454 /nfs/dbraw/zinc/48/64/54/1031486454.db2.gz PUWFMZGXIKERFF-BDAKNGLRSA-N 1 0 321.179 3.968 20 5 DHBDRO COCC[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872079307 1031475144 /nfs/dbraw/zinc/47/51/44/1031475144.db2.gz LZKHDAXTLZGYEG-NWDGAFQWSA-N 1 0 312.435 3.640 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000872080277 1031476344 /nfs/dbraw/zinc/47/63/44/1031476344.db2.gz VECYBGJWVJSBCQ-CYDGBPFRSA-N 1 0 324.446 3.781 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000872080852 1031476414 /nfs/dbraw/zinc/47/64/14/1031476414.db2.gz SZXUGQNMMPFRSP-YNEHKIRRSA-N 1 0 324.446 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCS[C@@H]1C ZINC000872082011 1031478467 /nfs/dbraw/zinc/47/84/67/1031478467.db2.gz NHLKTHZLHZKGOZ-CWSCBRNRSA-N 1 0 312.460 3.861 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085121 1031481385 /nfs/dbraw/zinc/48/13/85/1031481385.db2.gz WMGGCRLBDPRSOL-GTNSWQLSSA-N 1 0 322.380 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccnc1C ZINC000872091114 1031487753 /nfs/dbraw/zinc/48/77/53/1031487753.db2.gz VVXIJQQGYLPZGM-GFCCVEGCSA-N 1 0 317.414 3.871 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000872090886 1031488313 /nfs/dbraw/zinc/48/83/13/1031488313.db2.gz FAZRXKILXCTWOB-AYGWYOGXSA-N 1 0 310.419 3.533 20 5 DHBDRO COc1ccc(F)c(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000293601687 1031534393 /nfs/dbraw/zinc/53/43/93/1031534393.db2.gz OYKWYDHUNXVQIB-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CCc1nc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000360931706 1031630635 /nfs/dbraw/zinc/63/06/35/1031630635.db2.gz WJQKOYPROQZCTQ-LLVKDONJSA-N 1 0 319.430 3.815 20 5 DHBDRO Cc1cnc([C@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000873105607 1031712264 /nfs/dbraw/zinc/71/22/64/1031712264.db2.gz ZJHBBZUROUVINQ-SNVBAGLBSA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C(C)(C)C1CCOCC1 ZINC000873115425 1031713919 /nfs/dbraw/zinc/71/39/19/1031713919.db2.gz HPTJORLKBPAOBC-UHFFFAOYSA-N 1 0 306.406 3.506 20 5 DHBDRO CC(C)c1ccc(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000361080792 1031716416 /nfs/dbraw/zinc/71/64/16/1031716416.db2.gz MCJNBPSTCIVIFD-HNNXBMFYSA-N 1 0 306.406 3.718 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000873195147 1031751504 /nfs/dbraw/zinc/75/15/04/1031751504.db2.gz YFLNDXKCLVLIDY-FUHWJXTLSA-N 1 0 314.385 3.505 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](C2CC2)C2CCOCC2)c1 ZINC000846043014 1031838265 /nfs/dbraw/zinc/83/82/65/1031838265.db2.gz SBEYRFXXYVBQMG-MRXNPFEDSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846182752 1031917100 /nfs/dbraw/zinc/91/71/00/1031917100.db2.gz CSUCBLVGTUGKED-CUOATXAZSA-N 1 0 315.776 3.532 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@](C)(O)c1ccccc1 ZINC000846187709 1031921516 /nfs/dbraw/zinc/92/15/16/1031921516.db2.gz KVNOHUMTYDHJAH-IYOUNJFTSA-N 1 0 314.385 3.542 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2cnn(C[NH+]3CCCCCCC3)c2)c1 ZINC000777949855 1032016216 /nfs/dbraw/zinc/01/62/16/1032016216.db2.gz CYSCMGZVHHBUER-UHFFFAOYSA-N 1 0 314.389 3.682 20 5 DHBDRO CC[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CCCC1 ZINC000777955126 1032034262 /nfs/dbraw/zinc/03/42/62/1032034262.db2.gz MXJLZXDDBXXCAX-UHFFFAOYSA-N 1 0 314.389 3.680 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000136813785 1033313804 /nfs/dbraw/zinc/31/38/04/1033313804.db2.gz GYHBSXKKIMTWED-MEDUHNTESA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000927029162 1033339659 /nfs/dbraw/zinc/33/96/59/1033339659.db2.gz OQVXDJNFPVNSIB-SUNKGSAMSA-N 1 0 312.410 3.539 20 5 DHBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCCC34CCCC4)C2)c1 ZINC000877544462 1033348441 /nfs/dbraw/zinc/34/84/41/1033348441.db2.gz PXYNFXRFZMMGRU-ZBCRRDGASA-N 1 0 318.421 3.587 20 5 DHBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCC34CCCCC4)C2)c1 ZINC000877620678 1033386230 /nfs/dbraw/zinc/38/62/30/1033386230.db2.gz KMTKBCMVWFZRSU-ZBCRRDGASA-N 1 0 318.421 3.587 20 5 DHBDRO C[C@H]1CC[C@@](C)(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1(C)C ZINC000877623970 1033389061 /nfs/dbraw/zinc/38/90/61/1033389061.db2.gz FZYAIQKKEITGTR-VWLISTAJSA-N 1 0 320.437 3.547 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927041082 1033420069 /nfs/dbraw/zinc/42/00/69/1033420069.db2.gz YBBUEASLYZLCOB-DGCLKSJQSA-N 1 0 321.446 3.646 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1ccsc1)CC2 ZINC001172899206 1033434886 /nfs/dbraw/zinc/43/48/86/1033434886.db2.gz MFXDVWZYIQNWQN-INIZCTEOSA-N 1 0 316.426 3.736 20 5 DHBDRO CC1(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(F)(F)C1 ZINC001172902383 1033437487 /nfs/dbraw/zinc/43/74/87/1033437487.db2.gz XVJBBDHCTMMNSG-AWEZNQCLSA-N 1 0 324.371 3.867 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC3(CCC3)C1)CC2 ZINC001172906509 1033438058 /nfs/dbraw/zinc/43/80/58/1033438058.db2.gz XQQSFNIDNMEFLL-HNNXBMFYSA-N 1 0 300.402 3.765 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC3(C1)CC(F)(F)C3)CC2 ZINC001172909207 1033439839 /nfs/dbraw/zinc/43/98/39/1033439839.db2.gz QRBNXORTXDBYJN-CQSZACIVSA-N 1 0 322.355 3.573 20 5 DHBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1F ZINC001172907468 1033440439 /nfs/dbraw/zinc/44/04/39/1033440439.db2.gz FGHGFYTVXVOZCM-SRCQZFHVSA-N 1 0 306.381 3.522 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC(c3ccccc3)C1)CC2 ZINC001172918465 1033466314 /nfs/dbraw/zinc/46/63/14/1033466314.db2.gz BAXYJVCMEPPRIF-IBGZPJMESA-N 1 0 322.408 3.942 20 5 DHBDRO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922622 1033469301 /nfs/dbraw/zinc/46/93/01/1033469301.db2.gz ZIZJOKBTVUSWIQ-AEFFLSMTSA-N 1 0 302.418 3.963 20 5 DHBDRO Cc1c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)cccc1[N+](=O)[O-] ZINC000478504092 1033498811 /nfs/dbraw/zinc/49/88/11/1033498811.db2.gz BITKAQRWEROTOI-JKSUJKDBSA-N 1 0 306.406 3.585 20 5 DHBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152115588 1033501810 /nfs/dbraw/zinc/50/18/10/1033501810.db2.gz KWKBOQNPFBJAKK-VXGBXAGGSA-N 1 0 317.389 3.790 20 5 DHBDRO CC[C@@](C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000152610497 1033531765 /nfs/dbraw/zinc/53/17/65/1033531765.db2.gz JUKIUEDSRYFKFX-IQIBNGDESA-N 1 0 317.414 3.980 20 5 DHBDRO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H](C)C(C)C ZINC000878000021 1033547975 /nfs/dbraw/zinc/54/79/75/1033547975.db2.gz BVXGCYNXTOYLKC-GFCCVEGCSA-N 1 0 318.377 3.511 20 5 DHBDRO CCC(CC)C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175869 1033580865 /nfs/dbraw/zinc/58/08/65/1033580865.db2.gz UGTDTOYEEODSNH-NSHDSACASA-N 1 0 312.385 3.699 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)CC(C)C)c1F ZINC001173175439 1033580923 /nfs/dbraw/zinc/58/09/23/1033580923.db2.gz CGCCKHGJVIKTLD-RYUDHWBXSA-N 1 0 312.385 3.698 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(C)CCCC2)c1F ZINC001173175648 1033581755 /nfs/dbraw/zinc/58/17/55/1033581755.db2.gz QJKROSGEUWQCTQ-GFCCVEGCSA-N 1 0 324.396 3.843 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[C@@H](C)CC2)c1F ZINC001173181493 1033581891 /nfs/dbraw/zinc/58/18/91/1033581891.db2.gz DXXVGQUHFPSNKO-UPJWGTAASA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1F ZINC001173195645 1033586394 /nfs/dbraw/zinc/58/63/94/1033586394.db2.gz HUTIWTZNPMHBJJ-UPJWGTAASA-N 1 0 324.396 3.651 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)Cc1ccccn1 ZINC001173218161 1033597256 /nfs/dbraw/zinc/59/72/56/1033597256.db2.gz BUXMRAZCWBJJOH-CQSZACIVSA-N 1 0 313.401 3.532 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001173215627 1033597466 /nfs/dbraw/zinc/59/74/66/1033597466.db2.gz XLXGCLRROHQOHX-ZDUSSCGKSA-N 1 0 302.349 3.763 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccc(F)cc1 ZINC001173217949 1033598315 /nfs/dbraw/zinc/59/83/15/1033598315.db2.gz NQVABXQFNIXAAR-AWEZNQCLSA-N 1 0 316.376 3.887 20 5 DHBDRO Cc1c(F)cccc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217940 1033598621 /nfs/dbraw/zinc/59/86/21/1033598621.db2.gz NJZZFCSQVQYQTH-LBPRGKRZSA-N 1 0 302.349 3.763 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)C(C)(C)C1 ZINC001173220778 1033600245 /nfs/dbraw/zinc/60/02/45/1033600245.db2.gz CISAEKWDGMPUDT-LBPRGKRZSA-N 1 0 312.360 3.893 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OC2CCC2)CC1 ZINC001173220969 1033600329 /nfs/dbraw/zinc/60/03/29/1033600329.db2.gz DUAKMSPNDYTTNM-AWEZNQCLSA-N 1 0 318.417 3.559 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001173224251 1033603683 /nfs/dbraw/zinc/60/36/83/1033603683.db2.gz DDMOHYXSQJCQOK-RISCZKNCSA-N 1 0 316.323 3.595 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2ncccc21 ZINC001173232634 1033608993 /nfs/dbraw/zinc/60/89/93/1033608993.db2.gz FDROYJHGACTUIW-ACJLOTCBSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2ncccc21 ZINC001173232637 1033609317 /nfs/dbraw/zinc/60/93/17/1033609317.db2.gz FDROYJHGACTUIW-SCLBCKFNSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC001173234733 1033609428 /nfs/dbraw/zinc/60/94/28/1033609428.db2.gz PVENXLZRZZTPOH-RDTXWAMCSA-N 1 0 310.397 3.673 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(C)c2ccccc12 ZINC001173209580 1033611109 /nfs/dbraw/zinc/61/11/09/1033611109.db2.gz DETOPSJCBPUKJE-AWEZNQCLSA-N 1 0 323.396 3.807 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1cccs1 ZINC001173213640 1033613495 /nfs/dbraw/zinc/61/34/95/1033613495.db2.gz JJQYRRIICXAQOW-CYBMUJFWSA-N 1 0 304.415 3.810 20 5 DHBDRO Cc1ccccc1OCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214200 1033614355 /nfs/dbraw/zinc/61/43/55/1033614355.db2.gz NACIOALKNKEQTI-HNNXBMFYSA-N 1 0 314.385 3.503 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnc2ccccc2c1 ZINC001173212968 1033614753 /nfs/dbraw/zinc/61/47/53/1033614753.db2.gz DPHQEMHEOGIHBV-CQSZACIVSA-N 1 0 321.380 3.864 20 5 DHBDRO Cc1csc([C@@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173212587 1033614961 /nfs/dbraw/zinc/61/49/61/1033614961.db2.gz BEOQZDUAHJDZAU-ZYHUDNBSSA-N 1 0 305.403 3.642 20 5 DHBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173214570 1033615140 /nfs/dbraw/zinc/61/51/40/1033615140.db2.gz PFYZVTVAVLNFOQ-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001173214708 1033617163 /nfs/dbraw/zinc/61/71/63/1033617163.db2.gz FEGXKNRVCHNUNX-ZDUSSCGKSA-N 1 0 302.349 3.763 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000878371021 1033678561 /nfs/dbraw/zinc/67/85/61/1033678561.db2.gz FOQCBKYUBZDROP-HIFRSBDPSA-N 1 0 304.390 3.513 20 5 DHBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000479581160 1033824627 /nfs/dbraw/zinc/82/46/27/1033824627.db2.gz UHDFJWJKYVNILY-OAHLLOKOSA-N 1 0 314.385 3.804 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000479585823 1033827355 /nfs/dbraw/zinc/82/73/55/1033827355.db2.gz BBQBSUDFGQXGOW-WBVHZDCISA-N 1 0 306.406 3.587 20 5 DHBDRO C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000927127876 1033988423 /nfs/dbraw/zinc/98/84/23/1033988423.db2.gz KOMIZLSHEQBTBK-CZUORRHYSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1cnc(C(C)(C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000175983212 1034060936 /nfs/dbraw/zinc/06/09/36/1034060936.db2.gz WPXCYBUOFROOKZ-SOFGYWHQSA-N 1 0 317.414 3.898 20 5 DHBDRO CC[C@H](C)C[N@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177860970 1034188777 /nfs/dbraw/zinc/18/87/77/1034188777.db2.gz FEOVSKLSEAFZDW-LBPRGKRZSA-N 1 0 318.377 3.513 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H](C(C)C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000480476548 1034265165 /nfs/dbraw/zinc/26/51/65/1034265165.db2.gz IGFODHQNKYAITM-INIZCTEOSA-N 1 0 308.422 3.603 20 5 DHBDRO Cc1c([C@@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000480552808 1034306131 /nfs/dbraw/zinc/30/61/31/1034306131.db2.gz KLYOJVRHFOVQPI-CRAIPNDOSA-N 1 0 319.449 3.674 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCCO2)CC1 ZINC000880455075 1034335713 /nfs/dbraw/zinc/33/57/13/1034335713.db2.gz NTUAPOHOVONHQM-AWEZNQCLSA-N 1 0 304.390 3.691 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880465337 1034337790 /nfs/dbraw/zinc/33/77/90/1034337790.db2.gz CGQJRHXVAVZDGT-JSGCOSHPSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[N@H+](CC1CCC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000794687429 1034339646 /nfs/dbraw/zinc/33/96/46/1034339646.db2.gz INVKLNKYGOURNE-UHFFFAOYSA-N 1 0 314.389 3.538 20 5 DHBDRO C[N@H+](CCSc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000554834510 1034366695 /nfs/dbraw/zinc/36/66/95/1034366695.db2.gz FLMFTPWMBWRGQU-UHFFFAOYSA-N 1 0 316.426 3.861 20 5 DHBDRO C[C@H](C[NH+]1CCCCCC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000480699960 1034412533 /nfs/dbraw/zinc/41/25/33/1034412533.db2.gz QEMKHQOXWYIYNX-HUUCEWRRSA-N 1 0 305.422 3.510 20 5 DHBDRO COc1cc(CN(C)[C@@H](C)c2ccco2)c([N+](=O)[O-])cc1F ZINC000184252848 1034457317 /nfs/dbraw/zinc/45/73/17/1034457317.db2.gz DZHVVKYLEYZJRK-JTQLQIEISA-N 1 0 308.309 3.529 20 5 DHBDRO CCS[C@H]1CCCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000480853346 1034475098 /nfs/dbraw/zinc/47/50/98/1034475098.db2.gz DVCHYYTVEYZPCS-LBPRGKRZSA-N 1 0 312.410 3.842 20 5 DHBDRO C[C@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000481028072 1034560412 /nfs/dbraw/zinc/56/04/12/1034560412.db2.gz XRUSFRYQSBPRCU-CABCVRRESA-N 1 0 319.449 3.756 20 5 DHBDRO CC1(C)CCC(C)(C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001174724949 1034582376 /nfs/dbraw/zinc/58/23/76/1034582376.db2.gz LJENLZPIBBOTOC-HNNXBMFYSA-N 1 0 306.406 3.529 20 5 DHBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481187227 1034642121 /nfs/dbraw/zinc/64/21/21/1034642121.db2.gz FUCCUYZXNZWKLS-DZGCQCFKSA-N 1 0 322.405 3.541 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000555417916 1034695698 /nfs/dbraw/zinc/69/56/98/1034695698.db2.gz VMLZDILGZXBVKP-LLVKDONJSA-N 1 0 314.307 3.846 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(Cc2cccs2)C1 ZINC000600214943 1034816029 /nfs/dbraw/zinc/81/60/29/1034816029.db2.gz IIMOIWOHAYVAEY-UTCJRWHESA-N 1 0 314.410 3.844 20 5 DHBDRO C[C@H]([NH2+]CCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000481731649 1034956097 /nfs/dbraw/zinc/95/60/97/1034956097.db2.gz CKAGJZORKHFRAE-ZDUSSCGKSA-N 1 0 318.348 3.854 20 5 DHBDRO C[C@H](OCCC[N+](C)(C)C)c1c(F)cccc1Br ZINC001224621243 1035180040 /nfs/dbraw/zinc/18/00/40/1035180040.db2.gz PJWAPERMYDQWTF-NSHDSACASA-N 1 0 319.238 3.762 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000483109287 1035228170 /nfs/dbraw/zinc/22/81/70/1035228170.db2.gz LOSSHSZYSOJUIR-LBPRGKRZSA-N 1 0 310.369 3.753 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc2c1OCO2 ZINC000924798328 1035410535 /nfs/dbraw/zinc/41/05/35/1035410535.db2.gz MJZCLLDGAQDOMV-NWDGAFQWSA-N 1 0 314.341 3.735 20 5 DHBDRO CCOc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001178393073 1035424828 /nfs/dbraw/zinc/42/48/28/1035424828.db2.gz GYNKIEBHVUWZNM-UHFFFAOYSA-N 1 0 314.385 3.634 20 5 DHBDRO CCO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC001178601212 1035439779 /nfs/dbraw/zinc/43/97/79/1035439779.db2.gz LANIMUZCRFHPDP-GOSISDBHSA-N 1 0 314.385 3.771 20 5 DHBDRO COCC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001178958462 1035458095 /nfs/dbraw/zinc/45/80/95/1035458095.db2.gz MBXZMLDRMIAANL-XNTDXEJSSA-N 1 0 318.417 3.795 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC001179094965 1035464958 /nfs/dbraw/zinc/46/49/58/1035464958.db2.gz FASHBLOQPSCVRS-SWLSCSKDSA-N 1 0 306.406 3.908 20 5 DHBDRO CC(C)CC[C@@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001179152927 1035467262 /nfs/dbraw/zinc/46/72/62/1035467262.db2.gz FJAAPTFFKLWEHP-HNNXBMFYSA-N 1 0 308.422 3.605 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[C@@H]1C=CCC1 ZINC001179502507 1035481943 /nfs/dbraw/zinc/48/19/43/1035481943.db2.gz QVZAFUZQRNGWQM-CQSZACIVSA-N 1 0 304.390 3.830 20 5 DHBDRO O=[N+]([O-])c1cccc(CNc2nc3ccccc3n2CC2CC2)c1 ZINC001179630358 1035488238 /nfs/dbraw/zinc/48/82/38/1035488238.db2.gz AQBVBYDISMTPMY-UHFFFAOYSA-N 1 0 322.368 3.967 20 5 DHBDRO COc1cccc(C2([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2)c1 ZINC000568901101 1035545742 /nfs/dbraw/zinc/54/57/42/1035545742.db2.gz MAMIRFHHOQLOHO-QGZVFWFLSA-N 1 0 324.380 3.870 20 5 DHBDRO CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC001193224720 1035585777 /nfs/dbraw/zinc/58/57/77/1035585777.db2.gz NEAJQNNHMAFPID-CYBMUJFWSA-N 1 0 309.366 3.740 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000386104486 1035681165 /nfs/dbraw/zinc/68/11/65/1035681165.db2.gz IUZBJVSLXPTISF-IRXDYDNUSA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000539508641 1035763249 /nfs/dbraw/zinc/76/32/49/1035763249.db2.gz XFGQRTCUVZDOCG-LSDHHAIUSA-N 1 0 320.433 3.743 20 5 DHBDRO COc1cc(C[N@H+](C)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000485719825 1035902422 /nfs/dbraw/zinc/90/24/22/1035902422.db2.gz WDQPEQSUGZTLBH-UHFFFAOYSA-N 1 0 320.776 3.889 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000494974801 1036158792 /nfs/dbraw/zinc/15/87/92/1036158792.db2.gz CZYXPOGAODKLGQ-KKFJDGPESA-N 1 0 302.296 3.748 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001203504148 1036242303 /nfs/dbraw/zinc/24/23/03/1036242303.db2.gz SBRFZLPOTPLVJC-VBNZEHGJSA-N 1 0 304.390 3.662 20 5 DHBDRO COc1ccccc1CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000487858313 1036330409 /nfs/dbraw/zinc/33/04/09/1036330409.db2.gz MMYRCXWZWQUZSF-ZDUSSCGKSA-N 1 0 300.358 3.796 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000774516706 1036389543 /nfs/dbraw/zinc/38/95/43/1036389543.db2.gz BDZCBYZZKYZZKV-HLLBOEOZSA-N 1 0 317.433 3.745 20 5 DHBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775677965 1036409918 /nfs/dbraw/zinc/40/99/18/1036409918.db2.gz LKIZGJFCVRQTFY-XYPHTWIQSA-N 1 0 306.406 3.577 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000464782368 1036453945 /nfs/dbraw/zinc/45/39/45/1036453945.db2.gz YLYJJKHJEXRBGA-ZBFHGGJFSA-N 1 0 324.446 3.580 20 5 DHBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001182880217 1036472548 /nfs/dbraw/zinc/47/25/48/1036472548.db2.gz CSSUNKKPXJJYBN-YPMHNXCESA-N 1 0 319.188 3.559 20 5 DHBDRO C[C@@H]1c2ccccc2OCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000609145423 1036507477 /nfs/dbraw/zinc/50/74/77/1036507477.db2.gz BRNZMCFMEQKGGS-CQSZACIVSA-N 1 0 312.369 3.593 20 5 DHBDRO CCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000487193789 1036578501 /nfs/dbraw/zinc/57/85/01/1036578501.db2.gz CBGQPZJUFVTYJJ-UHFFFAOYSA-N 1 0 318.348 3.731 20 5 DHBDRO CC[N@H+](CCNc1ccc(C)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491602158 1036612817 /nfs/dbraw/zinc/61/28/17/1036612817.db2.gz RMPHRWOIAKTBDP-UHFFFAOYSA-N 1 0 319.327 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000495494720 1036688175 /nfs/dbraw/zinc/68/81/75/1036688175.db2.gz GTMHKVIAMYLGMS-IBGZPJMESA-N 1 0 310.397 3.748 20 5 DHBDRO COc1ccc(C[N@@H+]2CCSC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC001197295456 1036726289 /nfs/dbraw/zinc/72/62/89/1036726289.db2.gz GPUDSWVWCFEHES-HNNXBMFYSA-N 1 0 324.446 3.567 20 5 DHBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152128789 1036904780 /nfs/dbraw/zinc/90/47/80/1036904780.db2.gz BGTVFCSURPLKGH-RYUDHWBXSA-N 1 0 317.389 3.790 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H](C)C1 ZINC000488229282 1036913759 /nfs/dbraw/zinc/91/37/59/1036913759.db2.gz GWXDQKJFZOFCFT-CYBMUJFWSA-N 1 0 324.446 3.567 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCSC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000488367670 1036986614 /nfs/dbraw/zinc/98/66/14/1036986614.db2.gz PRVRMAGXNDEDMJ-ZDUSSCGKSA-N 1 0 308.447 3.903 20 5 DHBDRO CCCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000774834075 1037036379 /nfs/dbraw/zinc/03/63/79/1037036379.db2.gz UDDWZJVOXMFDKA-UHFFFAOYSA-N 1 0 309.366 3.904 20 5 DHBDRO CCC(CC)C[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774839224 1037060518 /nfs/dbraw/zinc/06/05/18/1037060518.db2.gz HPHYNZHKEWVJGH-UHFFFAOYSA-N 1 0 309.366 3.761 20 5 DHBDRO C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488710676 1037113150 /nfs/dbraw/zinc/11/31/50/1037113150.db2.gz GDKSCJUBLHCDOK-LBPRGKRZSA-N 1 0 323.824 3.559 20 5 DHBDRO CCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000387106506 1037113900 /nfs/dbraw/zinc/11/39/00/1037113900.db2.gz YERMSCPPLURCRA-UHFFFAOYSA-N 1 0 312.797 3.687 20 5 DHBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774906712 1037196051 /nfs/dbraw/zinc/19/60/51/1037196051.db2.gz YEAXUJGGECHDKG-NEPJUHHUSA-N 1 0 307.350 3.514 20 5 DHBDRO Cc1cc(F)ccc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000488031967 1037297603 /nfs/dbraw/zinc/29/76/03/1037297603.db2.gz FMERXRMQRNXEPL-UHFFFAOYSA-N 1 0 318.348 3.553 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000193903093 1037307585 /nfs/dbraw/zinc/30/75/85/1037307585.db2.gz IAWIKFPDNVXOPF-VXGBXAGGSA-N 1 0 315.329 3.915 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000776016673 1037312220 /nfs/dbraw/zinc/31/22/20/1037312220.db2.gz UBSCGIZTANWDJZ-IRXDYDNUSA-N 1 0 306.406 3.577 20 5 DHBDRO C[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761515242 1037341225 /nfs/dbraw/zinc/34/12/25/1037341225.db2.gz SCIZXNXNPKMRIJ-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO Cc1ccccc1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761527381 1037348457 /nfs/dbraw/zinc/34/84/57/1037348457.db2.gz UOKUZJRYSHHXGM-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000489353375 1037369602 /nfs/dbraw/zinc/36/96/02/1037369602.db2.gz GXLFBDGEEKHZCT-OCCSQVGLSA-N 1 0 321.421 3.598 20 5 DHBDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122790367 1037405990 /nfs/dbraw/zinc/40/59/90/1037405990.db2.gz INYYUIDIXRRBEN-KGLIPLIRSA-N 1 0 314.385 3.972 20 5 DHBDRO CC(C)C[N@H+](C)CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001186914608 1037529146 /nfs/dbraw/zinc/52/91/46/1037529146.db2.gz NOYXNMFOQKBQNX-UHFFFAOYSA-N 1 0 316.405 3.533 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000490402605 1037708811 /nfs/dbraw/zinc/70/88/11/1037708811.db2.gz QTJPXDCYPJEEOG-OAHLLOKOSA-N 1 0 300.333 3.551 20 5 DHBDRO CC[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491150101 1037925824 /nfs/dbraw/zinc/92/58/24/1037925824.db2.gz UYOWGBKPYXJPSB-UHFFFAOYSA-N 1 0 308.378 3.860 20 5 DHBDRO CCCCCC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000775182083 1037934746 /nfs/dbraw/zinc/93/47/46/1037934746.db2.gz ZVVXYLSLVYUATN-GFCCVEGCSA-N 1 0 304.394 3.920 20 5 DHBDRO Cc1cccc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000570935901 1038039502 /nfs/dbraw/zinc/03/95/02/1038039502.db2.gz LRLBECQFTHNSJH-JYJNAYRXSA-N 1 0 317.433 3.745 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC(C)(C)CO1 ZINC001190529405 1038336372 /nfs/dbraw/zinc/33/63/72/1038336372.db2.gz SIMBGNOFZYJTCM-MRXNPFEDSA-N 1 0 306.406 3.620 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H](F)C3)o2)cc1 ZINC000588930273 1038408642 /nfs/dbraw/zinc/40/86/42/1038408642.db2.gz STOGQOOTEKDCPD-QWHCGFSZSA-N 1 0 304.321 3.835 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000588953981 1038417388 /nfs/dbraw/zinc/41/73/88/1038417388.db2.gz RTFKIXLBVATVAY-SJKOYZFVSA-N 1 0 312.369 3.942 20 5 DHBDRO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000589515133 1038498417 /nfs/dbraw/zinc/49/84/17/1038498417.db2.gz DADBYUOSZHPTBC-YPMHNXCESA-N 1 0 314.389 3.553 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CCC(F)(F)CC1)CC2 ZINC001191520195 1038512740 /nfs/dbraw/zinc/51/27/40/1038512740.db2.gz FDZLWPYMSOACKQ-UHFFFAOYSA-N 1 0 310.344 3.778 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@H]1CC1(F)F)C1CC1 ZINC000598679756 1038819956 /nfs/dbraw/zinc/81/99/56/1038819956.db2.gz MJGWRDLBTHLHOO-UONOGXRCSA-N 1 0 310.344 3.551 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598679578 1038821293 /nfs/dbraw/zinc/82/12/93/1038821293.db2.gz JZJKGRNXESFINE-ZYHUDNBSSA-N 1 0 314.332 3.689 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)C1CC1 ZINC000598679757 1038821510 /nfs/dbraw/zinc/82/15/10/1038821510.db2.gz MJGWRDLBTHLHOO-ZIAGYGMSSA-N 1 0 310.344 3.551 20 5 DHBDRO COCCC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000599059161 1039016500 /nfs/dbraw/zinc/01/65/00/1039016500.db2.gz NTGKISUBVZOJRC-AWEZNQCLSA-N 1 0 306.406 3.713 20 5 DHBDRO CC[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599074378 1039029939 /nfs/dbraw/zinc/02/99/39/1039029939.db2.gz RAXIEDOQRBZDOR-MSOLQXFVSA-N 1 0 317.433 3.652 20 5 DHBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000225514709 1039084642 /nfs/dbraw/zinc/08/46/42/1039084642.db2.gz GILSAIQMPOMBBC-VXGBXAGGSA-N 1 0 300.811 3.622 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1(CO)CCC1)CCCC2 ZINC000593718486 1039099485 /nfs/dbraw/zinc/09/94/85/1039099485.db2.gz HZUBQYVXSUKNEQ-KRWDZBQOSA-N 1 0 318.417 3.505 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593715688 1039101931 /nfs/dbraw/zinc/10/19/31/1039101931.db2.gz AYFUOIVPKKFOKH-DYVFJYSZSA-N 1 0 306.406 3.841 20 5 DHBDRO CCO[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CC1 ZINC000599270525 1039110359 /nfs/dbraw/zinc/11/03/59/1039110359.db2.gz NHMSZEMTGQVETN-QGZVFWFLSA-N 1 0 306.406 3.620 20 5 DHBDRO Cc1ccc(CN(Cc2ccccc2[N+](=O)[O-])CC2CC2)cn1 ZINC000592144946 1039131221 /nfs/dbraw/zinc/13/12/21/1039131221.db2.gz KOZOPASHOCSNIH-UHFFFAOYSA-N 1 0 311.385 3.710 20 5 DHBDRO C[N@H+](CCC(C)(C)C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592144540 1039138132 /nfs/dbraw/zinc/13/81/32/1039138132.db2.gz MBZSPZIPEVCXKU-UHFFFAOYSA-N 1 0 318.377 3.513 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3cccc(F)c3)CCC2)cc1 ZINC000592145146 1039138808 /nfs/dbraw/zinc/13/88/08/1039138808.db2.gz PEHLOCINWYRVQU-UHFFFAOYSA-N 1 0 300.333 3.903 20 5 DHBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccccc1 ZINC000603852206 1039187066 /nfs/dbraw/zinc/18/70/66/1039187066.db2.gz JDXWJJDXAKUMRO-UHFFFAOYSA-N 1 0 314.385 3.538 20 5 DHBDRO CCc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000603840046 1039195392 /nfs/dbraw/zinc/19/53/92/1039195392.db2.gz UKOCWCKDALPULC-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO Cc1ccccc1C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012430 1039281164 /nfs/dbraw/zinc/28/11/64/1039281164.db2.gz MRIAMJGERLPCRN-UHFFFAOYSA-N 1 0 314.385 3.804 20 5 DHBDRO CCCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000574085325 1039389779 /nfs/dbraw/zinc/38/97/79/1039389779.db2.gz ZKOCWFBLPZZSAO-CQSZACIVSA-N 1 0 321.421 3.742 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000604532766 1039496823 /nfs/dbraw/zinc/49/68/23/1039496823.db2.gz FIYKOMAXFPSIDB-UHFFFAOYSA-N 1 0 319.449 3.540 20 5 DHBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000058789706 1039555918 /nfs/dbraw/zinc/55/59/18/1039555918.db2.gz XIKZPZCPEKNJKS-UHFFFAOYSA-N 1 0 309.385 3.800 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C)(CC(F)F)C1 ZINC000592522915 1039595718 /nfs/dbraw/zinc/59/57/18/1039595718.db2.gz IBWFVHOSMTXEEP-SDQBBNPISA-N 1 0 310.344 3.975 20 5 DHBDRO CCC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000574532578 1039738333 /nfs/dbraw/zinc/73/83/33/1039738333.db2.gz OEDVMGQLTWIKBU-UHFFFAOYSA-N 1 0 316.405 3.616 20 5 DHBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594498901 1039800397 /nfs/dbraw/zinc/80/03/97/1039800397.db2.gz NAUMAAFUBYRBAW-NVXWUHKLSA-N 1 0 318.417 3.767 20 5 DHBDRO C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CS1 ZINC000594504036 1039802825 /nfs/dbraw/zinc/80/28/25/1039802825.db2.gz FXLGLGFEMVLKNZ-GXFFZTMASA-N 1 0 314.838 3.664 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594507487 1039806398 /nfs/dbraw/zinc/80/63/98/1039806398.db2.gz DJQGTXPVIOOWJG-MORSLUCNSA-N 1 0 318.417 3.902 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594511871 1039812076 /nfs/dbraw/zinc/81/20/76/1039812076.db2.gz RYFTUXKHAORGDX-DIWYCERUSA-N 1 0 316.401 3.545 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594517912 1039826319 /nfs/dbraw/zinc/82/63/19/1039826319.db2.gz DADNVDKZQRKPBK-BHYGNILZSA-N 1 0 317.433 3.571 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@H]1CCCCO1 ZINC000594522490 1039829514 /nfs/dbraw/zinc/82/95/14/1039829514.db2.gz YSCNLPOEWUSJCO-JLJPHGGASA-N 1 0 306.406 3.902 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC(C)(C)C ZINC000594978059 1039950438 /nfs/dbraw/zinc/95/04/38/1039950438.db2.gz WQIFJLWRUROWOI-KAMYIIQDSA-N 1 0 306.406 3.793 20 5 DHBDRO Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000059394345 1039961077 /nfs/dbraw/zinc/96/10/77/1039961077.db2.gz IFDBYFXPUYRKAB-QGZVFWFLSA-N 1 0 317.364 3.757 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)c1ccccn1 ZINC000594952306 1039962780 /nfs/dbraw/zinc/96/27/80/1039962780.db2.gz BJHDNTQYFRXRRG-IPJDOKCGSA-N 1 0 311.385 3.786 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1(F)F ZINC000594986006 1040002289 /nfs/dbraw/zinc/00/22/89/1040002289.db2.gz RMZCCBXARWMXPQ-OAHLLOKOSA-N 1 0 322.311 3.990 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594041519 1040011511 /nfs/dbraw/zinc/01/15/11/1040011511.db2.gz DYQZKULXDAXBBR-DZGCQCFKSA-N 1 0 312.797 3.686 20 5 DHBDRO COc1cccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCC2)c1 ZINC000594996480 1040011580 /nfs/dbraw/zinc/01/15/80/1040011580.db2.gz CGWDFBYZEJLAPJ-UHFFFAOYSA-N 1 0 312.369 3.772 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000594996631 1040011925 /nfs/dbraw/zinc/01/19/25/1040011925.db2.gz UOIABTVXLMKLAF-DUVUVBCGSA-N 1 0 324.355 3.675 20 5 DHBDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595005800 1040017896 /nfs/dbraw/zinc/01/78/96/1040017896.db2.gz GQAXZNYRDGZETG-QWHCGFSZSA-N 1 0 322.405 3.613 20 5 DHBDRO C[C@@H]([NH2+]C/C=C/CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595068498 1040030457 /nfs/dbraw/zinc/03/04/57/1040030457.db2.gz IESGCZIGHHNAIN-ZYOFXKKJSA-N 1 0 318.398 3.522 20 5 DHBDRO C[C@H]([NH2+]C/C=C/CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595068495 1040030782 /nfs/dbraw/zinc/03/07/82/1040030782.db2.gz IESGCZIGHHNAIN-ITKZLYELSA-N 1 0 318.398 3.522 20 5 DHBDRO CCSCC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595029385 1040037243 /nfs/dbraw/zinc/03/72/43/1040037243.db2.gz XWXKFGZSAHTTQG-NEPJUHHUSA-N 1 0 312.435 3.786 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000595041577 1040044016 /nfs/dbraw/zinc/04/40/16/1040044016.db2.gz CNDPIRSCKHROQP-NXEZZACHSA-N 1 0 302.321 3.545 20 5 DHBDRO CCC[C@H]([NH2+]CCC1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574877740 1040054150 /nfs/dbraw/zinc/05/41/50/1040054150.db2.gz STIUHNBCZMIQRS-INIZCTEOSA-N 1 0 306.406 3.842 20 5 DHBDRO COc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000595106679 1040066167 /nfs/dbraw/zinc/06/61/67/1040066167.db2.gz TUWKXOKOFYEEFE-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CCSC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000595101562 1040067792 /nfs/dbraw/zinc/06/77/92/1040067792.db2.gz WVGPVFLXISBYLE-OAHLLOKOSA-N 1 0 320.458 3.791 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000595082007 1040074504 /nfs/dbraw/zinc/07/45/04/1040074504.db2.gz WAJRHNPZICDGLB-QMTHXVAHSA-N 1 0 314.332 3.689 20 5 DHBDRO CCSC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595092587 1040077955 /nfs/dbraw/zinc/07/79/55/1040077955.db2.gz LNKMYTBIEWQFCQ-LLVKDONJSA-N 1 0 310.419 3.540 20 5 DHBDRO CC1(C)[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1(F)F ZINC000595091383 1040080043 /nfs/dbraw/zinc/08/00/43/1040080043.db2.gz HZYWDWQZLXGQHQ-KGLIPLIRSA-N 1 0 310.344 3.853 20 5 DHBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000595288972 1040092269 /nfs/dbraw/zinc/09/22/69/1040092269.db2.gz CTTUMZNBQGIQSC-INIZCTEOSA-N 1 0 300.333 3.853 20 5 DHBDRO Cc1noc(C[N@@H+](CCc2ccccc2)CC(C)C)c1[N+](=O)[O-] ZINC000595293730 1040093091 /nfs/dbraw/zinc/09/30/91/1040093091.db2.gz FPOQQZIZUNUEDJ-UHFFFAOYSA-N 1 0 317.389 3.592 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@H]2c2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000595348922 1040104300 /nfs/dbraw/zinc/10/43/00/1040104300.db2.gz WMZCJRUHFLCPSJ-HNNXBMFYSA-N 1 0 315.373 3.845 20 5 DHBDRO CC[C@@H](C[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595448152 1040140958 /nfs/dbraw/zinc/14/09/58/1040140958.db2.gz JQIQTMKHPFREQC-AWEZNQCLSA-N 1 0 317.389 3.907 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000595488989 1040142568 /nfs/dbraw/zinc/14/25/68/1040142568.db2.gz MTNVHUDPMWSPOD-AWEZNQCLSA-N 1 0 315.348 3.509 20 5 DHBDRO CC(C)([NH2+]CCOCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000595508509 1040158087 /nfs/dbraw/zinc/15/80/87/1040158087.db2.gz AYVJEOWZPTUTIA-UHFFFAOYSA-N 1 0 314.385 3.636 20 5 DHBDRO CCC(C)(C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595643198 1040211308 /nfs/dbraw/zinc/21/13/08/1040211308.db2.gz VLKOZHBUFGARQH-ZDUSSCGKSA-N 1 0 321.421 3.646 20 5 DHBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595709144 1040222267 /nfs/dbraw/zinc/22/22/67/1040222267.db2.gz VHIBFUCZLXIBDK-MEDUHNTESA-N 1 0 300.333 3.552 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595788270 1040253153 /nfs/dbraw/zinc/25/31/53/1040253153.db2.gz HXAVPYIEVWQWRP-UWWQBHOKSA-N 1 0 318.417 3.937 20 5 DHBDRO COc1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000596062492 1040296536 /nfs/dbraw/zinc/29/65/36/1040296536.db2.gz GDHAAVOUBOBZFE-UHFFFAOYSA-N 1 0 320.311 3.672 20 5 DHBDRO Cc1nn(C[C@H]2CCCC[N@H+]2C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000596266729 1040350708 /nfs/dbraw/zinc/35/07/08/1040350708.db2.gz UWXQEKHZXJKLAL-OAHLLOKOSA-N 1 0 316.405 3.516 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000323925794 1040649952 /nfs/dbraw/zinc/64/99/52/1040649952.db2.gz WLXISKWMUONEJH-NSHDSACASA-N 1 0 313.195 3.636 20 5 DHBDRO C[C@@H](C[N@H+](C)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000608976593 1040655936 /nfs/dbraw/zinc/65/59/36/1040655936.db2.gz BULFQECIDYXZJR-HNNXBMFYSA-N 1 0 314.385 3.709 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](C)c1ccccc1 ZINC000608976692 1040657074 /nfs/dbraw/zinc/65/70/74/1040657074.db2.gz IKHZGWPKXVKARN-AWEZNQCLSA-N 1 0 314.385 3.839 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593319076 1040718377 /nfs/dbraw/zinc/71/83/77/1040718377.db2.gz JERLWDWDHSPJOM-DOTOQJQBSA-N 1 0 311.385 3.672 20 5 DHBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000602441528 1041036280 /nfs/dbraw/zinc/03/62/80/1041036280.db2.gz OMLGSKAZLPCIFO-NSHDSACASA-N 1 0 320.336 3.551 20 5 DHBDRO C[C@@H](C1CC1)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602444231 1041037223 /nfs/dbraw/zinc/03/72/23/1041037223.db2.gz ZLXZGMBCRKKJJQ-ZETCQYMHSA-N 1 0 319.224 3.649 20 5 DHBDRO C[C@H](Cc1ccsc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602519215 1041064801 /nfs/dbraw/zinc/06/48/01/1041064801.db2.gz VJIWHPHYRSHFDR-SNVBAGLBSA-N 1 0 317.370 3.518 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000060800583 1041080606 /nfs/dbraw/zinc/08/06/06/1041080606.db2.gz KWMWLLJSOWJDET-UHFFFAOYSA-N 1 0 324.302 3.946 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCC(F)(F)F ZINC000602562657 1041097106 /nfs/dbraw/zinc/09/71/06/1041097106.db2.gz VSABIIJHENIVND-UHFFFAOYSA-N 1 0 316.201 3.656 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1CC(F)(F)C1 ZINC000602670169 1041149410 /nfs/dbraw/zinc/14/94/10/1041149410.db2.gz BNCXDXNMTIHOGP-UHFFFAOYSA-N 1 0 324.249 3.749 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1 ZINC000602691832 1041154089 /nfs/dbraw/zinc/15/40/89/1041154089.db2.gz UCTMPLDWPFLNRE-KCJUWKMLSA-N 1 0 320.336 3.597 20 5 DHBDRO CCC(CC)[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccs1 ZINC000602803681 1041226058 /nfs/dbraw/zinc/22/60/58/1041226058.db2.gz ZXFOIBRGPFQCAO-AWEZNQCLSA-N 1 0 322.434 3.657 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761280105 1041282410 /nfs/dbraw/zinc/28/24/10/1041282410.db2.gz LTTZCOYXJQZQJK-OCCSQVGLSA-N 1 0 316.405 3.721 20 5 DHBDRO Cc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000092758706 185338525 /nfs/dbraw/zinc/33/85/25/185338525.db2.gz DJLKWGPABSMBOG-UHFFFAOYSA-N 1 0 318.417 3.827 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000271984659 129987797 /nfs/dbraw/zinc/98/77/97/129987797.db2.gz KLCINUZVOMHCEW-CVEARBPZSA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000273448876 130123456 /nfs/dbraw/zinc/12/34/56/130123456.db2.gz YIXOGIGRBZAVAS-RDJZCZTQSA-N 1 0 306.406 3.587 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000280754356 130815912 /nfs/dbraw/zinc/81/59/12/130815912.db2.gz BXVMZYFFZIYNJH-DOMZBBRYSA-N 1 0 324.371 3.941 20 5 DHBDRO C[C@]12CCN(Cc3csc([N+](=O)[O-])c3)C[C@H]1C2(Cl)Cl ZINC000284741588 131108008 /nfs/dbraw/zinc/10/80/08/131108008.db2.gz KXJHBLSPRUQENZ-KOLCDFICSA-N 1 0 321.229 3.672 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000353480649 131109362 /nfs/dbraw/zinc/10/93/62/131109362.db2.gz CGWRCWGYHYDUQA-RHSMWYFYSA-N 1 0 307.438 3.756 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCSC1)C1CC1 ZINC000286965283 131258229 /nfs/dbraw/zinc/25/82/29/131258229.db2.gz ICXCIENEJHVFEY-CJNGLKHVSA-N 1 0 320.458 3.649 20 5 DHBDRO Cc1cccc(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000287602894 131289960 /nfs/dbraw/zinc/28/99/60/131289960.db2.gz SBDVGAZEWGPPSD-HNNXBMFYSA-N 1 0 313.401 3.890 20 5 DHBDRO CC(C)(CO)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000289324158 131374254 /nfs/dbraw/zinc/37/42/54/131374254.db2.gz KHPQIZKEQJRYGT-OAHLLOKOSA-N 1 0 320.414 3.506 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000297217615 132004900 /nfs/dbraw/zinc/00/49/00/132004900.db2.gz HBUNIXDHAMXPBG-NWDGAFQWSA-N 1 0 316.357 3.721 20 5 DHBDRO CCC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)C ZINC000299363894 132101259 /nfs/dbraw/zinc/10/12/59/132101259.db2.gz FBFKZSNDMYNDQA-UHFFFAOYSA-N 1 0 318.377 3.513 20 5 DHBDRO COC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173413279 332829949 /nfs/dbraw/zinc/82/99/49/332829949.db2.gz BPLIRVSYJAZFHL-CXAGYDPISA-N 1 0 300.358 3.633 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000518275215 332005345 /nfs/dbraw/zinc/00/53/45/332005345.db2.gz AQRICEOITMCQBV-HUUCEWRRSA-N 1 0 306.406 3.908 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000089903679 332079737 /nfs/dbraw/zinc/07/97/37/332079737.db2.gz IQUVDWSOQOFVKT-CHWSQXEVSA-N 1 0 315.373 3.870 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000559897847 332291125 /nfs/dbraw/zinc/29/11/25/332291125.db2.gz RVNMIBUUHWWOAY-GOEBONIOSA-N 1 0 320.433 3.743 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000151002728 332476143 /nfs/dbraw/zinc/47/61/43/332476143.db2.gz MPLCGIXAAKQCOE-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO CC(C)([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000562925374 332644146 /nfs/dbraw/zinc/64/41/46/332644146.db2.gz DLHQVABFWUGAQZ-CQSZACIVSA-N 1 0 318.417 3.911 20 5 DHBDRO CC(C)[NH+](CCNc1ccc2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000301087693 332969892 /nfs/dbraw/zinc/96/98/92/332969892.db2.gz NHZRNWORYABKGI-UHFFFAOYSA-N 1 0 316.405 3.674 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000305139611 333003618 /nfs/dbraw/zinc/00/36/18/333003618.db2.gz LWMGBAZORACYEJ-COXVUDFISA-N 1 0 306.406 3.577 20 5 DHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCCC2 ZINC000323353900 333019829 /nfs/dbraw/zinc/01/98/29/333019829.db2.gz JKIRIOIMSGKBJL-IRXDYDNUSA-N 1 0 318.417 3.731 20 5 DHBDRO CCC[C@H]([NH2+]CC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180266276 333027660 /nfs/dbraw/zinc/02/76/60/333027660.db2.gz QDIWPFJUWXEJKS-SJORKVTESA-N 1 0 306.406 3.985 20 5 DHBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000584330212 333034413 /nfs/dbraw/zinc/03/44/13/333034413.db2.gz ZDQYTAUIYMTQTC-HIFRSBDPSA-N 1 0 318.398 3.590 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000182850845 333048259 /nfs/dbraw/zinc/04/82/59/333048259.db2.gz FZQDLUUTFKHVGV-HDMKZQKVSA-N 1 0 318.417 3.591 20 5 DHBDRO CCC(CC)[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000525787541 333313675 /nfs/dbraw/zinc/31/36/75/333313675.db2.gz VRKCIICLULJJPS-UHFFFAOYSA-N 1 0 322.405 3.635 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000531213770 333335282 /nfs/dbraw/zinc/33/52/82/333335282.db2.gz PUQLCGYUUGNVOZ-LXIYXOSZSA-N 1 0 312.369 3.638 20 5 DHBDRO CCOCC(C)(C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000323494505 333357287 /nfs/dbraw/zinc/35/72/87/333357287.db2.gz TVBXZCNHVVBBEF-UHFFFAOYSA-N 1 0 317.389 3.926 20 5 DHBDRO C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188666627 333384838 /nfs/dbraw/zinc/38/48/38/333384838.db2.gz DBGXIYRLRMWVCI-SUMWQHHRSA-N 1 0 306.406 3.577 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000390980193 333413061 /nfs/dbraw/zinc/41/30/61/333413061.db2.gz CMOWKODWRZHUTA-KBRIMQKVSA-N 1 0 318.417 3.983 20 5 DHBDRO C[C@@H]([NH2+]CCCN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000320176940 333440926 /nfs/dbraw/zinc/44/09/26/333440926.db2.gz NRHJYFBPDJBNBO-OAHLLOKOSA-N 1 0 313.401 3.772 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CS1 ZINC000414238738 333918124 /nfs/dbraw/zinc/91/81/24/333918124.db2.gz YAXJROVEXSMEHP-BFJAYTPKSA-N 1 0 320.458 3.790 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2(OC)CCC2)cc1[N+](=O)[O-] ZINC000414292941 333934722 /nfs/dbraw/zinc/93/47/22/333934722.db2.gz BFXNLLDEUMPLGH-OLZOCXBDSA-N 1 0 322.405 3.602 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000275634329 334072608 /nfs/dbraw/zinc/07/26/08/334072608.db2.gz QVSVMALKWYHNGZ-CHWSQXEVSA-N 1 0 316.323 3.848 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414937490 334199817 /nfs/dbraw/zinc/19/98/17/334199817.db2.gz VSSJYECABIXAHH-SFHVURJKSA-N 1 0 311.385 3.653 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3nc(Cl)ccc32)cc1 ZINC000297066713 334239189 /nfs/dbraw/zinc/23/91/89/334239189.db2.gz WDLGQNLDGVIEEM-AWEZNQCLSA-N 1 0 317.776 3.810 20 5 DHBDRO C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000531938548 334299426 /nfs/dbraw/zinc/29/94/26/334299426.db2.gz OBFWXWWUIXZRGA-KEYYUXOJSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000531938899 334299727 /nfs/dbraw/zinc/29/97/27/334299727.db2.gz UBEHYOQFYAITNE-HOCLYGCPSA-N 1 0 319.449 3.676 20 5 DHBDRO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531993937 334367318 /nfs/dbraw/zinc/36/73/18/334367318.db2.gz QIKZJTRWKPRFSZ-WMLDXEAASA-N 1 0 314.385 3.596 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CC[C@@H](F)C3)cs2)c1 ZINC000342310279 334527439 /nfs/dbraw/zinc/52/74/39/334527439.db2.gz UHHVRUNROAOWLJ-VXGBXAGGSA-N 1 0 321.377 3.699 20 5 DHBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311528 334705097 /nfs/dbraw/zinc/70/50/97/334705097.db2.gz OYMFLWKNFNWAKH-DYVFJYSZSA-N 1 0 320.433 3.749 20 5 DHBDRO COc1ccc(CN(C)Cc2csc([N+](=O)[O-])c2)cc1C ZINC000343643115 335184457 /nfs/dbraw/zinc/18/44/57/335184457.db2.gz NFXFCAZTHIORNP-UHFFFAOYSA-N 1 0 306.387 3.605 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1sc(C)nc1C ZINC000344882707 335282533 /nfs/dbraw/zinc/28/25/33/335282533.db2.gz XRYUOIIKYVXTGF-XFFZJAGNSA-N 1 0 317.414 3.861 20 5 DHBDRO CC(C)c1ccc(CNCc2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000344910787 335284914 /nfs/dbraw/zinc/28/49/14/335284914.db2.gz WKFCBDOAFGDDLW-UHFFFAOYSA-N 1 0 303.337 3.542 20 5 DHBDRO CO[C@@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000345483015 335329044 /nfs/dbraw/zinc/32/90/44/335329044.db2.gz KQFUHMYTOAZFEE-GWCFXTLKSA-N 1 0 320.311 3.521 20 5 DHBDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000532220524 335917044 /nfs/dbraw/zinc/91/70/44/335917044.db2.gz XPBFKTPHSVAUAN-LBPRGKRZSA-N 1 0 316.405 3.587 20 5 DHBDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000583661267 336035393 /nfs/dbraw/zinc/03/53/93/336035393.db2.gz IIHXMMPNMXXSDW-UHFFFAOYSA-N 1 0 313.401 3.601 20 5 DHBDRO Cc1ccc(C)n1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000332455327 336172066 /nfs/dbraw/zinc/17/20/66/336172066.db2.gz NJMFRPABFDVARA-UHFFFAOYSA-N 1 0 313.401 3.850 20 5 DHBDRO Cc1ccc(C)n1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000332444191 336172081 /nfs/dbraw/zinc/17/20/81/336172081.db2.gz JFOCDNZPYPWWMQ-UHFFFAOYSA-N 1 0 313.401 3.850 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000351971772 336184202 /nfs/dbraw/zinc/18/42/02/336184202.db2.gz WELYZFKSOQRYLX-RDJZCZTQSA-N 1 0 317.433 3.524 20 5 DHBDRO COc1cc(C[N@H+](C)Cc2ccccc2C)ccc1[N+](=O)[O-] ZINC000351978405 336185122 /nfs/dbraw/zinc/18/51/22/336185122.db2.gz SDICGDRMRDMFQX-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000352652412 336228837 /nfs/dbraw/zinc/22/88/37/336228837.db2.gz NPZCYSZSCZHWMN-HNNXBMFYSA-N 1 0 306.406 3.719 20 5 DHBDRO CCc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000352773106 336235548 /nfs/dbraw/zinc/23/55/48/336235548.db2.gz QCZZOHBFBLTNBI-UHFFFAOYSA-N 1 0 313.401 3.665 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000532522601 336252601 /nfs/dbraw/zinc/25/26/01/336252601.db2.gz KTTWYGOMISWTJH-XOKHGSTOSA-N 1 0 318.417 3.902 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000192846511 336268501 /nfs/dbraw/zinc/26/85/01/336268501.db2.gz NGKQJCIICVKLCV-WMLDXEAASA-N 1 0 305.422 3.510 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(C(F)F)cc2)c1 ZINC000526983447 336277983 /nfs/dbraw/zinc/27/79/83/336277983.db2.gz SIPCZDYIVKNRFU-UHFFFAOYSA-N 1 0 306.312 3.865 20 5 DHBDRO CC(C)C[C@H](CCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192919734 336284397 /nfs/dbraw/zinc/28/43/97/336284397.db2.gz GLYGHVAGLOIHAD-KSSFIOAISA-N 1 0 320.433 3.607 20 5 DHBDRO O=[N+]([O-])c1ccc(N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000301061334 336287873 /nfs/dbraw/zinc/28/78/73/336287873.db2.gz FIHNKGKPPRSDDH-GOSISDBHSA-N 1 0 311.385 3.844 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cccc(F)c1[N+](=O)[O-] ZINC000301097883 336289913 /nfs/dbraw/zinc/28/99/13/336289913.db2.gz NQTNNWNYYAKNLD-ZDUSSCGKSA-N 1 0 309.385 3.800 20 5 DHBDRO Cc1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000301460068 336308241 /nfs/dbraw/zinc/30/82/41/336308241.db2.gz YQZAKOAHAHSXPL-MRXNPFEDSA-N 1 0 315.373 3.745 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NCCc2nc3cc(F)ccc3[nH]2)c1 ZINC000301580967 336316225 /nfs/dbraw/zinc/31/62/25/336316225.db2.gz SXJPSYMSCGPWMX-UHFFFAOYSA-N 1 0 314.320 3.573 20 5 DHBDRO C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(C)(C)C[NH+](C)C ZINC000301636768 336319779 /nfs/dbraw/zinc/31/97/79/336319779.db2.gz LRIJSKXPNLEMCT-GFCCVEGCSA-N 1 0 316.405 3.531 20 5 DHBDRO C[NH+](C)CC1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301798662 336330780 /nfs/dbraw/zinc/33/07/80/336330780.db2.gz RQZGLHQMJCYAOX-UHFFFAOYSA-N 1 0 311.813 3.781 20 5 DHBDRO C[NH+](C)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1F ZINC000301891841 336336566 /nfs/dbraw/zinc/33/65/66/336336566.db2.gz RRLVPZPEKLZWDY-UHFFFAOYSA-N 1 0 321.327 3.547 20 5 DHBDRO O=[N+]([O-])c1ccsc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000301982330 336341232 /nfs/dbraw/zinc/34/12/32/336341232.db2.gz HPSISMVGUAILMP-HNNXBMFYSA-N 1 0 317.414 3.905 20 5 DHBDRO Cc1cc(NCCc2ccncc2C)c2cccc([N+](=O)[O-])c2n1 ZINC000302048699 336345442 /nfs/dbraw/zinc/34/54/42/336345442.db2.gz ZIRGZFXLGBOXJB-UHFFFAOYSA-N 1 0 322.368 3.809 20 5 DHBDRO Cc1cc(NCc2ncccc2F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302107865 336348866 /nfs/dbraw/zinc/34/88/66/336348866.db2.gz YFRBOVOKYZOFOI-UHFFFAOYSA-N 1 0 312.304 3.598 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+](CC2CC2)CC1 ZINC000302805196 336370067 /nfs/dbraw/zinc/37/00/67/336370067.db2.gz FLVHWRAXFFTUNL-UHFFFAOYSA-N 1 0 323.824 3.843 20 5 DHBDRO Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302824079 336370734 /nfs/dbraw/zinc/37/07/34/336370734.db2.gz LMHXOIKUNXEMFB-AEFFLSMTSA-N 1 0 311.385 3.761 20 5 DHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000320861178 336374851 /nfs/dbraw/zinc/37/48/51/336374851.db2.gz GJMAKMAEZFLMKU-SJORKVTESA-N 1 0 318.417 3.812 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CCSCC1)CCC2 ZINC000582235125 336375060 /nfs/dbraw/zinc/37/50/60/336375060.db2.gz XWAJTYYBVPSKAJ-MRXNPFEDSA-N 1 0 306.431 3.705 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CCSCC1)CCC2 ZINC000582235124 336375097 /nfs/dbraw/zinc/37/50/97/336375097.db2.gz XWAJTYYBVPSKAJ-INIZCTEOSA-N 1 0 306.431 3.705 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000357800570 336599258 /nfs/dbraw/zinc/59/92/58/336599258.db2.gz JLLMAQDOWCDZLX-CVEARBPZSA-N 1 0 308.422 3.821 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000359219736 336663519 /nfs/dbraw/zinc/66/35/19/336663519.db2.gz BXSFDPALIRAWKK-RYUDHWBXSA-N 1 0 303.337 3.849 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCCCO1)CCC2 ZINC000193288224 336696265 /nfs/dbraw/zinc/69/62/65/336696265.db2.gz SLDULBASLSCBSW-SJLPKXTDSA-N 1 0 318.417 3.911 20 5 DHBDRO CCCCOC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362456429 336798333 /nfs/dbraw/zinc/79/83/33/336798333.db2.gz VRWAAXLNEKSDAZ-AWEZNQCLSA-N 1 0 306.406 3.937 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000375238526 337006357 /nfs/dbraw/zinc/00/63/57/337006357.db2.gz RIKMZOBGOGPGAT-GJZGRUSLSA-N 1 0 318.417 3.855 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000376342292 337031744 /nfs/dbraw/zinc/03/17/44/337031744.db2.gz WYHBZVCZAFDJEV-ZBFHGGJFSA-N 1 0 318.417 3.713 20 5 DHBDRO COC[C@H]1CCCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000376389883 337032432 /nfs/dbraw/zinc/03/24/32/337032432.db2.gz YKZFMFOGKPUCRN-CABCVRRESA-N 1 0 306.406 3.713 20 5 DHBDRO Cc1cccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000582762744 337138209 /nfs/dbraw/zinc/13/82/09/337138209.db2.gz KLDDVSKKUXSHJY-QGZVFWFLSA-N 1 0 311.385 3.810 20 5 DHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@@H]3C=CCCC3)CC2)cc1 ZINC000174242658 337139988 /nfs/dbraw/zinc/13/99/88/337139988.db2.gz JPFIWYACGNUMAA-CQSZACIVSA-N 1 0 302.374 3.547 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000174353506 337141044 /nfs/dbraw/zinc/14/10/44/337141044.db2.gz RWMRJIVZRWSEPX-ZIAGYGMSSA-N 1 0 324.446 3.709 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000185602455 337249590 /nfs/dbraw/zinc/24/95/90/337249590.db2.gz XDBXXHGKPMTHLL-CZUORRHYSA-N 1 0 312.369 3.558 20 5 DHBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)C ZINC000532927650 337393345 /nfs/dbraw/zinc/39/33/45/337393345.db2.gz IDPKOCRAYLXWFJ-UHFFFAOYSA-N 1 0 321.421 3.600 20 5 DHBDRO CC[C@H]([NH2+]CCCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000125308579 337410844 /nfs/dbraw/zinc/41/08/44/337410844.db2.gz WIDYWUFXSIWFJP-KRWDZBQOSA-N 1 0 306.406 3.985 20 5 DHBDRO CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061555011 337459622 /nfs/dbraw/zinc/45/96/22/337459622.db2.gz GCJYIKXMMDBTCW-UHFFFAOYSA-N 1 0 322.368 3.557 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421349402 337527916 /nfs/dbraw/zinc/52/79/16/337527916.db2.gz JBBOWKYSYLHPMS-AWEZNQCLSA-N 1 0 306.431 3.526 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000248727445 337566919 /nfs/dbraw/zinc/56/69/19/337566919.db2.gz NNFAIGJFRIGYQR-MWDXBVQZSA-N 1 0 316.401 3.593 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c(F)c1 ZINC000571776334 337576443 /nfs/dbraw/zinc/57/64/43/337576443.db2.gz YIRCWPAIVKNVFC-MRXNPFEDSA-N 1 0 316.332 3.520 20 5 DHBDRO Cc1cccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c1C ZINC000537088212 337888133 /nfs/dbraw/zinc/88/81/33/337888133.db2.gz YPBIJTIKEKXOKH-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO COc1ccc(C2([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000537420009 337937504 /nfs/dbraw/zinc/93/75/04/337937504.db2.gz IUARNSRHBTYEAF-ZDUSSCGKSA-N 1 0 312.369 3.943 20 5 DHBDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000061556281 337945124 /nfs/dbraw/zinc/94/51/24/337945124.db2.gz SSGWAYRKWGMSFV-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3cc(F)ccc32)cc1 ZINC000123126179 337947230 /nfs/dbraw/zinc/94/72/30/337947230.db2.gz ZBMPPSVIDYZPCI-KRWDZBQOSA-N 1 0 300.333 3.554 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000088520094 338006833 /nfs/dbraw/zinc/00/68/33/338006833.db2.gz ZZMDRXMERCILRC-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000516247989 338008668 /nfs/dbraw/zinc/00/86/68/338008668.db2.gz AUIKCUYSSBBJLB-UONOGXRCSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000516313842 338009573 /nfs/dbraw/zinc/00/95/73/338009573.db2.gz XQVLQALWYRJSMG-AEFFLSMTSA-N 1 0 318.417 3.503 20 5 DHBDRO Cc1ccoc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000426290697 338024861 /nfs/dbraw/zinc/02/48/61/338024861.db2.gz KFACOTLAMWAENU-OAHLLOKOSA-N 1 0 300.358 3.607 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000428452089 338052302 /nfs/dbraw/zinc/05/23/02/338052302.db2.gz JDEOBPAFFYHDKW-GWCFXTLKSA-N 1 0 312.316 3.571 20 5 DHBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000429583816 338085294 /nfs/dbraw/zinc/08/52/94/338085294.db2.gz BWBKOAWUTVGRNN-WBMJQRKESA-N 1 0 315.373 3.870 20 5 DHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000429673482 338086973 /nfs/dbraw/zinc/08/69/73/338086973.db2.gz RVWATJMGPYMXSD-CVEARBPZSA-N 1 0 308.447 3.791 20 5 DHBDRO COCC(C)(C)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430112214 338097582 /nfs/dbraw/zinc/09/75/82/338097582.db2.gz BZTAANFSYCTCJK-UHFFFAOYSA-N 1 0 318.373 3.712 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1ccccc1 ZINC000430221456 338102067 /nfs/dbraw/zinc/10/20/67/338102067.db2.gz RVIFGEAPLYTBBN-UHFFFAOYSA-N 1 0 300.358 3.628 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000430226574 338102203 /nfs/dbraw/zinc/10/22/03/338102203.db2.gz OXUIXRRVRNAKDL-OAHLLOKOSA-N 1 0 312.369 3.593 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)CCC2 ZINC000430749370 338113525 /nfs/dbraw/zinc/11/35/25/338113525.db2.gz VKLIZZDWZUGFOQ-NHYWBVRUSA-N 1 0 310.344 3.997 20 5 DHBDRO Cc1cnc(SCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000432923278 338173319 /nfs/dbraw/zinc/17/33/19/338173319.db2.gz RRSWXPGKMZLWKI-UHFFFAOYSA-N 1 0 317.414 3.522 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCc2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000433174910 338183983 /nfs/dbraw/zinc/18/39/83/338183983.db2.gz OGDBCMUUVQSROW-INIZCTEOSA-N 1 0 300.358 3.743 20 5 DHBDRO CSc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000435735588 338246985 /nfs/dbraw/zinc/24/69/85/338246985.db2.gz OKNOUAAGJPLLNW-UHFFFAOYSA-N 1 0 320.389 3.788 20 5 DHBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000436403099 338270943 /nfs/dbraw/zinc/27/09/43/338270943.db2.gz FZIZHVZGRBONQR-DGCLKSJQSA-N 1 0 317.414 3.997 20 5 DHBDRO C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000436403098 338270970 /nfs/dbraw/zinc/27/09/70/338270970.db2.gz FZIZHVZGRBONQR-AAEUAGOBSA-N 1 0 317.414 3.997 20 5 DHBDRO Cc1c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000437531576 338312785 /nfs/dbraw/zinc/31/27/85/338312785.db2.gz AORXFTOLMLNDDK-HZPDHXFCSA-N 1 0 306.431 3.763 20 5 DHBDRO COc1ccc(C[NH2+][C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000438467652 338344816 /nfs/dbraw/zinc/34/48/16/338344816.db2.gz BQQPIHAINMEWCL-LLVKDONJSA-N 1 0 320.311 3.670 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000442806289 338432742 /nfs/dbraw/zinc/43/27/42/338432742.db2.gz BPLUKZINUUTXMR-ULQDDVLXSA-N 1 0 306.406 3.983 20 5 DHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000442831592 338433688 /nfs/dbraw/zinc/43/36/88/338433688.db2.gz AZPMCKGOUBQUAG-GJZGRUSLSA-N 1 0 324.808 3.686 20 5 DHBDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447532629 338554801 /nfs/dbraw/zinc/55/48/01/338554801.db2.gz WQTGAUIJIVQZOM-WCVJEAGWSA-N 1 0 320.437 3.691 20 5 DHBDRO C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000447599949 338561298 /nfs/dbraw/zinc/56/12/98/338561298.db2.gz LAUBZWHPQJZVMS-GLJUWKHASA-N 1 0 318.417 3.767 20 5 DHBDRO C[C@@H](Cc1ccoc1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000449178202 338599804 /nfs/dbraw/zinc/59/98/04/338599804.db2.gz WYLGJDKJJBMNQQ-AWEZNQCLSA-N 1 0 302.374 3.731 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCc3c(F)cccc32)cs1 ZINC000449347070 338615794 /nfs/dbraw/zinc/61/57/94/338615794.db2.gz BEGZYDPQRMZDCK-AWEZNQCLSA-N 1 0 306.362 3.963 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3c(F)cccc32)cc1 ZINC000449351025 338616598 /nfs/dbraw/zinc/61/65/98/338616598.db2.gz NPQAQNQHSFQGGY-QGZVFWFLSA-N 1 0 300.333 3.901 20 5 DHBDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000449401313 338621113 /nfs/dbraw/zinc/62/11/13/338621113.db2.gz GOSFTPDEVVEEQQ-ZQIUZPCESA-N 1 0 308.422 3.567 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H](c3cccs3)C2)cc1 ZINC000449624653 338642326 /nfs/dbraw/zinc/64/23/26/338642326.db2.gz NQPYTXMABBXZGP-ZFWWWQNUSA-N 1 0 318.398 3.666 20 5 DHBDRO Cc1cc(C)c(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000449735494 338649091 /nfs/dbraw/zinc/64/90/91/338649091.db2.gz RARHAADTAZMDCC-CQSZACIVSA-N 1 0 313.401 3.718 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000452052222 338752191 /nfs/dbraw/zinc/75/21/91/338752191.db2.gz MXTPZCANAQCFHT-UKRRQHHQSA-N 1 0 312.797 3.686 20 5 DHBDRO CC[C@H]([NH2+][C@H]1C[C@H](OC)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000453131943 338797762 /nfs/dbraw/zinc/79/77/62/338797762.db2.gz MDNXNOPNLMMLBX-JYJNAYRXSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@@H](CCCc1cccnc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000453188148 338804914 /nfs/dbraw/zinc/80/49/14/338804914.db2.gz ZAFQRYZGYOYRMG-HNNXBMFYSA-N 1 0 313.401 3.533 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000453368912 338833031 /nfs/dbraw/zinc/83/30/31/338833031.db2.gz PNJKLBFSZRSUQH-ULQDDVLXSA-N 1 0 300.402 3.552 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000453406542 338839446 /nfs/dbraw/zinc/83/94/46/338839446.db2.gz KRTKSGSHXGXBMZ-MGPQQGTHSA-N 1 0 324.446 3.623 20 5 DHBDRO CC1(C)C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000453580727 338849064 /nfs/dbraw/zinc/84/90/64/338849064.db2.gz LBIOAPTWSJBQEE-LLVKDONJSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000195651160 338912432 /nfs/dbraw/zinc/91/24/32/338912432.db2.gz MKMZMNPXCMBPAM-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459618787 339038774 /nfs/dbraw/zinc/03/87/74/339038774.db2.gz SZLPAJGPWQTQKP-BDJLRTHQSA-N 1 0 302.378 3.530 20 5 DHBDRO Cc1ccc(CNc2ccc(C[NH+](C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000459739361 339045411 /nfs/dbraw/zinc/04/54/11/339045411.db2.gz KHTDPZBQZBFDOR-UHFFFAOYSA-N 1 0 313.401 3.885 20 5 DHBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459749777 339046023 /nfs/dbraw/zinc/04/60/23/339046023.db2.gz YTAHMPUHDVBBJX-CVEARBPZSA-N 1 0 316.357 3.512 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459813085 339049471 /nfs/dbraw/zinc/04/94/71/339049471.db2.gz WFVPJASTTIPGTG-RPVQJOFSSA-N 1 0 318.417 3.529 20 5 DHBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463408265 339116787 /nfs/dbraw/zinc/11/67/87/339116787.db2.gz YLYCZPOUOGMXEL-APHBMKBZSA-N 1 0 306.406 3.838 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467336397 339232287 /nfs/dbraw/zinc/23/22/87/339232287.db2.gz WSGSUXJGRJWTQL-PQEBFOHHSA-N 1 0 318.417 3.841 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000467858548 339247919 /nfs/dbraw/zinc/24/79/19/339247919.db2.gz JYXSLMGXFRKUSK-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CCCCOc1ccccc1 ZINC000468012176 339251205 /nfs/dbraw/zinc/25/12/05/339251205.db2.gz RCOCFSQUUCSVBK-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(Cl)cn1 ZINC000468590931 339266971 /nfs/dbraw/zinc/26/69/71/339266971.db2.gz XVCHBJJBHCLPDO-GHXNOFRVSA-N 1 0 317.776 3.836 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000468646733 339267913 /nfs/dbraw/zinc/26/79/13/339267913.db2.gz YKPUWUZZFBWMDO-MXHVWWQHSA-N 1 0 324.380 3.591 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000468648521 339268051 /nfs/dbraw/zinc/26/80/51/339268051.db2.gz QCYLLLUAFAYRIA-RVUPLZSRSA-N 1 0 304.390 3.545 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CC(C)C)N(C)C ZINC000468654864 339268161 /nfs/dbraw/zinc/26/81/61/339268161.db2.gz CTAVHUDVAAZDOV-BXBOZWQASA-N 1 0 319.449 3.564 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000470184662 339313432 /nfs/dbraw/zinc/31/34/32/339313432.db2.gz SUFOFGUUVUGPAH-DWCFMXGVSA-N 1 0 318.417 3.745 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473162740 339383319 /nfs/dbraw/zinc/38/33/19/339383319.db2.gz QAALWRSBNJFNHL-IFXJQAMLSA-N 1 0 324.380 3.787 20 5 DHBDRO CCOC1CC(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000473990363 339396351 /nfs/dbraw/zinc/39/63/51/339396351.db2.gz VBEQPWFAYYZGAC-ZROIWOOFSA-N 1 0 318.417 3.793 20 5 DHBDRO CCc1cccc(F)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000474894800 339430256 /nfs/dbraw/zinc/43/02/56/339430256.db2.gz SYXNPJMNUSWQRV-UHFFFAOYSA-N 1 0 302.349 3.629 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1(C(F)F)CC1 ZINC000475212315 339441738 /nfs/dbraw/zinc/44/17/38/339441738.db2.gz DDVNFIWYUSQJBY-OCCSQVGLSA-N 1 0 324.371 3.941 20 5 DHBDRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000475226872 339442400 /nfs/dbraw/zinc/44/24/00/339442400.db2.gz ADEWBGBJBFHDIN-QWHCGFSZSA-N 1 0 316.405 3.776 20 5 DHBDRO CC(C)(C)CC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000475682263 339459504 /nfs/dbraw/zinc/45/95/04/339459504.db2.gz PJOYQSDBQGWNCO-GFCCVEGCSA-N 1 0 314.813 3.525 20 5 DHBDRO CCOc1cccc(NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000478044603 339507585 /nfs/dbraw/zinc/50/75/85/339507585.db2.gz GWRTZPQDVMRHRA-UHFFFAOYSA-N 1 0 321.421 3.527 20 5 DHBDRO CC[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000479484065 339537548 /nfs/dbraw/zinc/53/75/48/339537548.db2.gz HCMVUDNHRHRRMM-QZTJIDSGSA-N 1 0 320.433 3.967 20 5 DHBDRO Cc1c(C[NH2+]C[C@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000480453121 339573594 /nfs/dbraw/zinc/57/35/94/339573594.db2.gz CNSSZDIXECVWEP-LBPRGKRZSA-N 1 0 302.349 3.936 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@](C)(O)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000482972988 339648902 /nfs/dbraw/zinc/64/89/02/339648902.db2.gz SKMRUEINNSBOIU-RRQGHBQHSA-N 1 0 308.422 3.823 20 5 DHBDRO COC1CCC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000484289601 339683800 /nfs/dbraw/zinc/68/38/00/339683800.db2.gz GHINGIRFGGTIQC-WLYUNCDWSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc2ccccc2c2cccnc12 ZINC000494669378 339957272 /nfs/dbraw/zinc/95/72/72/339957272.db2.gz UZDCUEHTCKQHSD-CQSZACIVSA-N 1 0 321.424 3.635 20 5 DHBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000495407655 339983200 /nfs/dbraw/zinc/98/32/00/339983200.db2.gz JIRUWDBDGHTEFT-HUUCEWRRSA-N 1 0 314.385 3.755 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000495440638 339984721 /nfs/dbraw/zinc/98/47/21/339984721.db2.gz VIMCEQYWUQGJBT-QGZVFWFLSA-N 1 0 314.360 3.845 20 5 DHBDRO CCC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501026542 340072501 /nfs/dbraw/zinc/07/25/01/340072501.db2.gz BWHYDNPCLMEVNI-AWEZNQCLSA-N 1 0 319.405 3.578 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccccc2)cc1[N+](=O)[O-] ZINC000504889072 340154741 /nfs/dbraw/zinc/15/47/41/340154741.db2.gz SIHLDJIGBNMOFB-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cscn1 ZINC000504893151 340154899 /nfs/dbraw/zinc/15/48/99/340154899.db2.gz CJGUJZMEINHYJS-LLVKDONJSA-N 1 0 323.443 3.712 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCO1 ZINC000504900304 340155466 /nfs/dbraw/zinc/15/54/66/340155466.db2.gz VKQLKILKIXVFTH-XJKSGUPXSA-N 1 0 324.446 3.624 20 5 DHBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000505608361 340172792 /nfs/dbraw/zinc/17/27/92/340172792.db2.gz LAKQYZSDNGLSIT-NWDGAFQWSA-N 1 0 311.813 3.781 20 5 DHBDRO CCOc1ccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000505705633 340175341 /nfs/dbraw/zinc/17/53/41/340175341.db2.gz KFADAHDMPRVHNO-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO COc1ccc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000505770868 340177368 /nfs/dbraw/zinc/17/73/68/340177368.db2.gz ISKWAFGUHGCLHB-ALCCZGGFSA-N 1 0 312.369 3.749 20 5 DHBDRO Cc1cc2ncn(Cc3c(F)cc([N+](=O)[O-])cc3F)c2cc1C ZINC000506395249 340194058 /nfs/dbraw/zinc/19/40/58/340194058.db2.gz MVNYEMNKCKWZOD-UHFFFAOYSA-N 1 0 317.295 3.888 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cs1 ZINC000507668109 340227895 /nfs/dbraw/zinc/22/78/95/340227895.db2.gz GNKSLJBKYWDIRK-CQSZACIVSA-N 1 0 302.399 3.721 20 5 DHBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000302862708 340284604 /nfs/dbraw/zinc/28/46/04/340284604.db2.gz SGWIYRSFEUFQPU-MRXNPFEDSA-N 1 0 311.385 3.671 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccncc1F ZINC000510994215 340317418 /nfs/dbraw/zinc/31/74/18/340317418.db2.gz ALVMUYCVCIOKFF-OLZOCXBDSA-N 1 0 317.364 3.801 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCCOC(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000511037737 340318871 /nfs/dbraw/zinc/31/88/71/340318871.db2.gz ZSTUKHBSSUEQIL-ZDUSSCGKSA-N 1 0 314.332 3.536 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1F ZINC000511106466 340320894 /nfs/dbraw/zinc/32/08/94/340320894.db2.gz MBTJKXSNYGACAJ-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000512838706 340380131 /nfs/dbraw/zinc/38/01/31/340380131.db2.gz HMVHVQRPOJODJP-UHFFFAOYSA-N 1 0 311.385 3.862 20 5 DHBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512863802 340381326 /nfs/dbraw/zinc/38/13/26/340381326.db2.gz GTHNELYQBJYMJQ-IAQYHMDHSA-N 1 0 318.398 3.696 20 5 DHBDRO Cc1cc(N2CCC(F)(F)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000517063950 340463008 /nfs/dbraw/zinc/46/30/08/340463008.db2.gz VEFIOZMFGUODKQ-SNVBAGLBSA-N 1 0 321.327 3.933 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000126187686 340824350 /nfs/dbraw/zinc/82/43/50/340824350.db2.gz IEOFSTITETWKJG-DYVFJYSZSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000538708083 340839024 /nfs/dbraw/zinc/83/90/24/340839024.db2.gz MQSFRJVZLUKQNW-MRXNPFEDSA-N 1 0 302.399 3.998 20 5 DHBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000540429076 340930912 /nfs/dbraw/zinc/93/09/12/340930912.db2.gz WALJYUVQRNHVIE-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO CSC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130245648 341008489 /nfs/dbraw/zinc/00/84/89/341008489.db2.gz LFLVONGAZCLSEM-GZBFAFLISA-N 1 0 308.447 3.647 20 5 DHBDRO CS[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000542482172 341009555 /nfs/dbraw/zinc/00/95/55/341009555.db2.gz GPRWYSCACWFXAK-VIHMKRCTSA-N 1 0 308.447 3.975 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCS1 ZINC000542496682 341010479 /nfs/dbraw/zinc/01/04/79/341010479.db2.gz BZAOEFZBKSSMFB-ZFWWWQNUSA-N 1 0 308.447 3.791 20 5 DHBDRO COc1cc(C[NH2+]C(C)(C)c2cccs2)ccc1[N+](=O)[O-] ZINC000542573665 341014223 /nfs/dbraw/zinc/01/42/23/341014223.db2.gz HCFOHGQLVIWLBV-UHFFFAOYSA-N 1 0 306.387 3.690 20 5 DHBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCSC1 ZINC000130530803 341026720 /nfs/dbraw/zinc/02/67/20/341026720.db2.gz PMIFKISZZHYTCW-CQSZACIVSA-N 1 0 318.398 3.792 20 5 DHBDRO C[N@H+](CCCOCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000545985878 341149771 /nfs/dbraw/zinc/14/97/71/341149771.db2.gz WVSDRUWITQGCST-UHFFFAOYSA-N 1 0 314.385 3.634 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000546687655 341178835 /nfs/dbraw/zinc/17/88/35/341178835.db2.gz NHYZYZSYKZMUDU-ZBFHGGJFSA-N 1 0 320.433 3.743 20 5 DHBDRO C[C@H](CCCC(F)(F)F)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000547828080 341235759 /nfs/dbraw/zinc/23/57/59/341235759.db2.gz YNTVPTOXLWFWDR-LLVKDONJSA-N 1 0 320.311 3.684 20 5 DHBDRO CC(C)n1cc([C@@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000547971281 341241255 /nfs/dbraw/zinc/24/12/55/341241255.db2.gz CMYQLLMCYJXVET-LLVKDONJSA-N 1 0 322.796 3.876 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@H]2F)o1 ZINC000549938331 341307519 /nfs/dbraw/zinc/30/75/19/341307519.db2.gz WCYRBPLHXKVIHG-KGLIPLIRSA-N 1 0 304.321 3.835 20 5 DHBDRO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000551308054 341337948 /nfs/dbraw/zinc/33/79/48/341337948.db2.gz JSMBXDIWDYTOCN-ILXRZTDVSA-N 1 0 320.437 3.691 20 5 DHBDRO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246415842 341348013 /nfs/dbraw/zinc/34/80/13/341348013.db2.gz MWEQXBYTKOBGDY-CVEARBPZSA-N 1 0 319.449 3.613 20 5 DHBDRO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000564383433 341352897 /nfs/dbraw/zinc/35/28/97/341352897.db2.gz XINXPLMIRPXHSY-UHFFFAOYSA-N 1 0 314.385 3.592 20 5 DHBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248564632 341380041 /nfs/dbraw/zinc/38/00/41/341380041.db2.gz OKWGBXASYPIDSM-COXVUDFISA-N 1 0 306.406 3.839 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H](C2CC2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000555106441 341475317 /nfs/dbraw/zinc/47/53/17/341475317.db2.gz UYOKAPLGXNBNKO-QGZVFWFLSA-N 1 0 320.433 3.605 20 5 DHBDRO CCOC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000556234258 341498487 /nfs/dbraw/zinc/49/84/87/341498487.db2.gz VOGQYZRHQQMGAA-AWEZNQCLSA-N 1 0 306.406 3.903 20 5 DHBDRO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000305770898 341532604 /nfs/dbraw/zinc/53/26/04/341532604.db2.gz PFINHZGHDVANEI-GRDNDAEWSA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000566807086 341568718 /nfs/dbraw/zinc/56/87/18/341568718.db2.gz CFPLVIOEEYSUDS-RNIPGJKVSA-N 1 0 306.365 3.510 20 5 DHBDRO COC[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000575116195 341778773 /nfs/dbraw/zinc/77/87/73/341778773.db2.gz XSAATRKIFJSNRV-JKSUJKDBSA-N 1 0 306.406 3.578 20 5 DHBDRO CCC[C@@H]([NH2+]CCC1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000336864523 341808897 /nfs/dbraw/zinc/80/88/97/341808897.db2.gz GSSNAVJLQZZQBM-MRXNPFEDSA-N 1 0 306.406 3.985 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173398949 341816039 /nfs/dbraw/zinc/81/60/39/341816039.db2.gz NDDJLRSJVFXYHJ-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H]2COc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000178110398 341945798 /nfs/dbraw/zinc/94/57/98/341945798.db2.gz AQPYZQFYUHJVEX-UKRRQHHQSA-N 1 0 312.369 3.558 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000178656153 341961107 /nfs/dbraw/zinc/96/11/07/341961107.db2.gz GXPVBDPEAOHRJY-KBPBESRZSA-N 1 0 300.358 3.713 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000121114802 518203104 /nfs/dbraw/zinc/20/31/04/518203104.db2.gz QDVSDBIVXJAJTM-UHFFFAOYSA-N 1 0 304.390 3.518 20 5 DHBDRO CCCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173401953 520374062 /nfs/dbraw/zinc/37/40/62/520374062.db2.gz RAHLBRWESSPTLX-CYBMUJFWSA-N 1 0 315.373 3.629 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000188038107 520790712 /nfs/dbraw/zinc/79/07/12/520790712.db2.gz GPKFPLIIZILPFT-KBRIMQKVSA-N 1 0 306.406 3.577 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000152511765 521223250 /nfs/dbraw/zinc/22/32/50/521223250.db2.gz JSFSKTVCEGYSCB-GFCCVEGCSA-N 1 0 318.348 3.983 20 5 DHBDRO CCC1(C)CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000353129951 521678165 /nfs/dbraw/zinc/67/81/65/521678165.db2.gz VKEFWXCBMYBMEG-UHFFFAOYSA-N 1 0 322.405 3.624 20 5 DHBDRO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000265853742 521692974 /nfs/dbraw/zinc/69/29/74/521692974.db2.gz ITWIHJJQQVSGNB-CFVMTHIKSA-N 1 0 324.446 3.682 20 5 DHBDRO CC[C@@H]([NH2+]CCc1cn2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000130630443 522843940 /nfs/dbraw/zinc/84/39/40/522843940.db2.gz ZTBSXSJEXYRMET-QGZVFWFLSA-N 1 0 324.384 3.526 20 5 DHBDRO CCc1noc(CC)c1C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000166981513 522896909 /nfs/dbraw/zinc/89/69/09/522896909.db2.gz CMVPUPURGXKUBR-OAHLLOKOSA-N 1 0 317.389 3.949 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000161625019 522916243 /nfs/dbraw/zinc/91/62/43/522916243.db2.gz XXCFKZYRDBKMLK-MEDUHNTESA-N 1 0 303.337 3.931 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338016385 522919626 /nfs/dbraw/zinc/91/96/26/522919626.db2.gz KVQKGRGTQBWLLX-NVXWUHKLSA-N 1 0 306.406 3.577 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266847913 523541506 /nfs/dbraw/zinc/54/15/06/523541506.db2.gz IEOPLARJPNGEDF-DYVFJYSZSA-N 1 0 300.358 3.633 20 5 DHBDRO C[NH+]1CCC(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000228847381 523764855 /nfs/dbraw/zinc/76/48/55/523764855.db2.gz SGVNOJNVUFPMHT-UHFFFAOYSA-N 1 0 318.204 3.655 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266847911 523953527 /nfs/dbraw/zinc/95/35/27/523953527.db2.gz IEOPLARJPNGEDF-CXAGYDPISA-N 1 0 300.358 3.633 20 5 DHBDRO C[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000124289343 524260514 /nfs/dbraw/zinc/26/05/14/524260514.db2.gz CMTQVPUHGJHWAY-LLVKDONJSA-N 1 0 303.387 3.703 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189152130 526079353 /nfs/dbraw/zinc/07/93/53/526079353.db2.gz RVQVIWIBXISFGC-SUMWQHHRSA-N 1 0 304.390 3.547 20 5 DHBDRO Cc1nc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000189786255 527079991 /nfs/dbraw/zinc/07/99/91/527079991.db2.gz OGPDRCLLAIQKFT-MRXNPFEDSA-N 1 0 317.414 3.739 20 5 DHBDRO Cc1nc2c(s1)CCC[C@H]2C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000366402800 527104593 /nfs/dbraw/zinc/10/45/93/527104593.db2.gz KHYPQYSXBGNWLA-ZDUSSCGKSA-N 1 0 317.414 3.569 20 5 DHBDRO COCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272518815 536810133 /nfs/dbraw/zinc/81/01/33/536810133.db2.gz HLLGEQIYJSYUJT-UKRRQHHQSA-N 1 0 318.373 3.925 20 5 DHBDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000289333198 537022448 /nfs/dbraw/zinc/02/24/48/537022448.db2.gz VYSRUXJPLQUPDG-HNNXBMFYSA-N 1 0 316.332 3.520 20 5 DHBDRO COc1ncc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000284513511 537141595 /nfs/dbraw/zinc/14/15/95/537141595.db2.gz WFYCHLOQEHLXOW-SNVBAGLBSA-N 1 0 321.764 3.503 20 5 DHBDRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000426284902 1013185879 /nfs/dbraw/zinc/18/58/79/1013185879.db2.gz BYSYVUXHLRITSN-GOEBONIOSA-N 1 0 314.385 3.997 20 5 DHBDRO Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000519037159 1013265045 /nfs/dbraw/zinc/26/50/45/1013265045.db2.gz RYTLPNUJVXNPCK-CZUORRHYSA-N 1 0 312.369 3.558 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000519179874 1013286403 /nfs/dbraw/zinc/28/64/03/1013286403.db2.gz AMUBXRQBLDDPOL-XJKSGUPXSA-N 1 0 316.401 3.664 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000894418270 1013351794 /nfs/dbraw/zinc/35/17/94/1013351794.db2.gz CFMWMJGZLFMBSG-UHFFFAOYSA-N 1 0 308.687 3.680 20 5 DHBDRO CCCO[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000247107432 1013364570 /nfs/dbraw/zinc/36/45/70/1013364570.db2.gz KIWBZVKDVHLPJV-RHSMWYFYSA-N 1 0 306.406 3.937 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1[N+](=O)[O-] ZINC000247150140 1013403551 /nfs/dbraw/zinc/40/35/51/1013403551.db2.gz RLNQTLQZFOFZMX-MKVSYHDVSA-N 1 0 304.390 3.511 20 5 DHBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCCOc3ccc(F)cc32)cs1 ZINC000340444118 1013801416 /nfs/dbraw/zinc/80/14/16/1013801416.db2.gz KAWJUSDFTQWLCW-CYBMUJFWSA-N 1 0 322.361 3.799 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000090910211 1013944012 /nfs/dbraw/zinc/94/40/12/1013944012.db2.gz CEVZQQHAFGKWCV-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO CCC[C@H]([NH2+]Cc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000071212631 1014120729 /nfs/dbraw/zinc/12/07/29/1014120729.db2.gz JOLDLASOVGBJPK-AWEZNQCLSA-N 1 0 305.403 3.991 20 5 DHBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(C)o1 ZINC000610447520 1014233952 /nfs/dbraw/zinc/23/39/52/1014233952.db2.gz GKICPCWYUJWPDB-AWEZNQCLSA-N 1 0 320.393 3.556 20 5 DHBDRO Cc1ccc([C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000319920783 1014277695 /nfs/dbraw/zinc/27/76/95/1014277695.db2.gz BQSAQRMLLZGHBV-CVEARBPZSA-N 1 0 319.449 3.818 20 5 DHBDRO CCC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000320030443 1014374895 /nfs/dbraw/zinc/37/48/95/1014374895.db2.gz JNRYDSWFPIODPT-OKZBNKHCSA-N 1 0 317.433 3.652 20 5 DHBDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000126115078 1014481435 /nfs/dbraw/zinc/48/14/35/1014481435.db2.gz SBYCQFXGDICODS-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000520908475 1014611461 /nfs/dbraw/zinc/61/14/61/1014611461.db2.gz RRTLXFQEGNMFHR-ZDUSSCGKSA-N 1 0 316.405 3.675 20 5 DHBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000521129508 1014650139 /nfs/dbraw/zinc/65/01/39/1014650139.db2.gz ZGHBDCCBSWHSHD-CYBMUJFWSA-N 1 0 323.437 3.913 20 5 DHBDRO CC[N@H+](CCc1cccs1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000521194297 1014660262 /nfs/dbraw/zinc/66/02/62/1014660262.db2.gz GONSHTOCXDJXIS-UHFFFAOYSA-N 1 0 320.414 3.730 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000772954942 1032101755 /nfs/dbraw/zinc/10/17/55/1032101755.db2.gz ZKBAUDBICDXMPJ-GFCCVEGCSA-N 1 0 315.329 3.662 20 5 DHBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001167457842 1014771703 /nfs/dbraw/zinc/77/17/03/1014771703.db2.gz LYIOMEUPFNRSAJ-WMLDXEAASA-N 1 0 306.406 3.874 20 5 DHBDRO CO[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000443069030 1014800354 /nfs/dbraw/zinc/80/03/54/1014800354.db2.gz ODUUIMRBRLJJDU-ZFWWWQNUSA-N 1 0 306.406 3.718 20 5 DHBDRO Cc1cccnc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000276307233 1014930266 /nfs/dbraw/zinc/93/02/66/1014930266.db2.gz LGXQORKCKRLYRY-MRXNPFEDSA-N 1 0 317.364 3.924 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3CCCC3)cs2)c1 ZINC000522196392 1014960114 /nfs/dbraw/zinc/96/01/14/1014960114.db2.gz OGQHSKYNHDCKEG-UHFFFAOYSA-N 1 0 317.414 3.998 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1Cl ZINC000895580062 1015215248 /nfs/dbraw/zinc/21/52/48/1015215248.db2.gz FBQKVOYPGCYEDS-NSHDSACASA-N 1 0 323.805 3.694 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1CC ZINC000414209049 1015305890 /nfs/dbraw/zinc/30/58/90/1015305890.db2.gz MHTPLGQYKQXLNF-GUTXKFCHSA-N 1 0 324.446 3.623 20 5 DHBDRO Cc1cc(F)ncc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000891621596 1015459822 /nfs/dbraw/zinc/45/98/22/1015459822.db2.gz AAWSWYNHNHFBTR-UHFFFAOYSA-N 1 0 315.348 3.602 20 5 DHBDRO CC(C)(C)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000341592285 1015564238 /nfs/dbraw/zinc/56/42/38/1015564238.db2.gz KHWIEMDWBSIEMQ-HNNXBMFYSA-N 1 0 316.405 3.558 20 5 DHBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185644513 1015606806 /nfs/dbraw/zinc/60/68/06/1015606806.db2.gz VJKYQOQMLLSHCO-BLLLJJGKSA-N 1 0 315.373 3.870 20 5 DHBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581135 1015628925 /nfs/dbraw/zinc/62/89/25/1015628925.db2.gz PVCCMVRWQAUVMG-FZMZJTMJSA-N 1 0 303.362 3.747 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000129712577 1015686679 /nfs/dbraw/zinc/68/66/79/1015686679.db2.gz NVFKKCZYAZQKIG-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000341883044 1015789243 /nfs/dbraw/zinc/78/92/43/1015789243.db2.gz UEUSKWJDUKNGRF-XHDPSFHLSA-N 1 0 316.405 3.747 20 5 DHBDRO Cc1csc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000610799086 1015847310 /nfs/dbraw/zinc/84/73/10/1015847310.db2.gz CTIMDHAUIFDHGS-LBPRGKRZSA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1ccccc1C1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000320227412 1015850191 /nfs/dbraw/zinc/85/01/91/1015850191.db2.gz LTEFQIKOFZKZQM-UHFFFAOYSA-N 1 0 310.397 3.982 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610832263 1015880650 /nfs/dbraw/zinc/88/06/50/1015880650.db2.gz OYPPBYJWHXBGFY-KEYYUXOJSA-N 1 0 306.406 3.841 20 5 DHBDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000610930438 1015944634 /nfs/dbraw/zinc/94/46/34/1015944634.db2.gz CHCOCWDBVVIWGB-OAHLLOKOSA-N 1 0 306.406 3.719 20 5 DHBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc2ccccc2c2cccnc12 ZINC000236722957 1016034603 /nfs/dbraw/zinc/03/46/03/1016034603.db2.gz OEUJOKXDCVSDKD-OAHLLOKOSA-N 1 0 321.424 3.635 20 5 DHBDRO C[C@H]([NH2+]CCCN(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000320268839 1016071233 /nfs/dbraw/zinc/07/12/33/1016071233.db2.gz DONGCTZEUIRCOW-HNNXBMFYSA-N 1 0 313.401 3.772 20 5 DHBDRO CCOc1ccccc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000320314220 1016094166 /nfs/dbraw/zinc/09/41/66/1016094166.db2.gz DDSXCDXYBILMPT-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000380693358 1016143695 /nfs/dbraw/zinc/14/36/95/1016143695.db2.gz UYCHPPLLVLZIOR-GFCCVEGCSA-N 1 0 313.195 3.636 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCC1CCOCC1)C1CC1 ZINC000346870498 1016618577 /nfs/dbraw/zinc/61/85/77/1016618577.db2.gz MIAAFTAPNJKGRO-UHFFFAOYSA-N 1 0 318.417 3.766 20 5 DHBDRO COCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000127099595 1016910648 /nfs/dbraw/zinc/91/06/48/1016910648.db2.gz LUAIQHKRFREIAM-UHFFFAOYSA-N 1 0 324.764 3.586 20 5 DHBDRO CC(C)(CC[NH+]1CCCCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000479587157 1017012406 /nfs/dbraw/zinc/01/24/06/1017012406.db2.gz CZEZSVFIQKJSGJ-UHFFFAOYSA-N 1 0 319.449 3.729 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000361980501 1032180245 /nfs/dbraw/zinc/18/02/45/1032180245.db2.gz KTNVMQCDPLEFKN-BVGQSLNGSA-N 1 0 317.433 3.508 20 5 DHBDRO C[C@H]1CC(F)(F)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000697646275 1032185035 /nfs/dbraw/zinc/18/50/35/1032185035.db2.gz BEXJMSQMUSSHGU-VIFPVBQESA-N 1 0 304.724 3.868 20 5 DHBDRO C[C@@H]1CC(F)(F)CCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000697646274 1032186577 /nfs/dbraw/zinc/18/65/77/1032186577.db2.gz BEXJMSQMUSSHGU-SECBINFHSA-N 1 0 304.724 3.868 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000035257712 1017076030 /nfs/dbraw/zinc/07/60/30/1017076030.db2.gz OIPBZUZWMTVZTC-VXGBXAGGSA-N 1 0 302.296 3.806 20 5 DHBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1COCc2ccccc21 ZINC001171293082 1032263822 /nfs/dbraw/zinc/26/38/22/1032263822.db2.gz DFFGPGMGXPOPEV-HXUWFJFHSA-N 1 0 311.449 3.966 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000362190313 1032267310 /nfs/dbraw/zinc/26/73/10/1032267310.db2.gz LPHUUJBJZBXHEI-YVEFUNNKSA-N 1 0 322.380 3.755 20 5 DHBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000235081358 1032364205 /nfs/dbraw/zinc/36/42/05/1032364205.db2.gz VGKWIMRSYFNFCO-VXGBXAGGSA-N 1 0 300.811 3.622 20 5 DHBDRO [NH3+]Cc1ccc2cn(-c3ccc([N+](=O)[O-])c4ccccc43)nc2c1 ZINC001171324341 1032375133 /nfs/dbraw/zinc/37/51/33/1032375133.db2.gz YNLCCHFSWTXCPO-UHFFFAOYSA-N 1 0 318.336 3.546 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282769481 1032479377 /nfs/dbraw/zinc/47/93/77/1032479377.db2.gz UTLDFKWMALFIHT-UKINESCASA-N 1 0 316.401 3.547 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1 ZINC000773118381 1032564510 /nfs/dbraw/zinc/56/45/10/1032564510.db2.gz LQSPTTFZKHMKTO-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000773121475 1032564848 /nfs/dbraw/zinc/56/48/48/1032564848.db2.gz RIIXFKCHTVGWNH-NWDGAFQWSA-N 1 0 303.362 3.733 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424314216 1011977336 /nfs/dbraw/zinc/97/73/36/1011977336.db2.gz CAKSEBLNDYYAIK-BVGQSLNGSA-N 1 0 314.360 3.753 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000479859869 1017102208 /nfs/dbraw/zinc/10/22/08/1017102208.db2.gz MRMXJMCCYINAIB-HNNXBMFYSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COCc2ccccc21 ZINC000515221757 1012587004 /nfs/dbraw/zinc/58/70/04/1012587004.db2.gz OSSQGYPWDXYMMB-UGSOOPFHSA-N 1 0 312.369 3.825 20 5 DHBDRO CCCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[C@@H](C)C1 ZINC000339646869 1012721314 /nfs/dbraw/zinc/72/13/14/1012721314.db2.gz LCOIFOWSGSQSEA-KGLIPLIRSA-N 1 0 308.426 3.509 20 5 DHBDRO CCC(CC)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000515802078 1012726557 /nfs/dbraw/zinc/72/65/57/1012726557.db2.gz UGNZQRMLKTTWRX-UHFFFAOYSA-N 1 0 319.405 3.576 20 5 DHBDRO Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475287028 1017118316 /nfs/dbraw/zinc/11/83/16/1017118316.db2.gz MMVJRIWNPFXZTI-CMPLNLGQSA-N 1 0 302.296 3.676 20 5 DHBDRO COc1cccc(NCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000475357720 1017169493 /nfs/dbraw/zinc/16/94/93/1017169493.db2.gz XFBVZIIOEFATLD-AWEZNQCLSA-N 1 0 321.421 3.670 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000163252825 1017492020 /nfs/dbraw/zinc/49/20/20/1017492020.db2.gz OEBBXXATPSEJIO-QZTJIDSGSA-N 1 0 314.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000179102942 1017509010 /nfs/dbraw/zinc/50/90/10/1017509010.db2.gz VVQLWUJRBMEKFM-KRWDZBQOSA-N 1 0 300.333 3.975 20 5 DHBDRO CC[N@H+](CCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444583313 1017583932 /nfs/dbraw/zinc/58/39/32/1017583932.db2.gz NJJVVQDECIHSHW-UHFFFAOYSA-N 1 0 324.384 3.536 20 5 DHBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444657202 1017609764 /nfs/dbraw/zinc/60/97/64/1017609764.db2.gz BOTHTCMKHXKLKU-HNNXBMFYSA-N 1 0 316.405 3.872 20 5 DHBDRO C[C@H]1c2ccccc2CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001167622867 1017673591 /nfs/dbraw/zinc/67/35/91/1017673591.db2.gz ZVVKVNRYUCNTAF-AWEZNQCLSA-N 1 0 312.369 3.593 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000268791054 1017742292 /nfs/dbraw/zinc/74/22/92/1017742292.db2.gz GCPSGQAYDQLLAU-CYBMUJFWSA-N 1 0 300.358 3.502 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000178729155 1017895170 /nfs/dbraw/zinc/89/51/70/1017895170.db2.gz KHTXQLNXDPYVSV-KZULUSFZSA-N 1 0 312.369 3.627 20 5 DHBDRO Cc1c([C@@H](C)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000153741594 1018003715 /nfs/dbraw/zinc/00/37/15/1018003715.db2.gz MVCPBLKVTCSHHM-HUUCEWRRSA-N 1 0 317.433 3.571 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000248121017 1018184069 /nfs/dbraw/zinc/18/40/69/1018184069.db2.gz NITMPUDKPHPKAQ-DAXOMENPSA-N 1 0 304.390 3.593 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000525194826 1018204425 /nfs/dbraw/zinc/20/44/25/1018204425.db2.gz ATIXVZQSHCGPCD-UHFFFAOYSA-N 1 0 320.339 3.986 20 5 DHBDRO Cc1ccccc1C[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446829763 1018260751 /nfs/dbraw/zinc/26/07/51/1018260751.db2.gz LFOIZBFOHQTAKL-ZDUSSCGKSA-N 1 0 324.384 3.500 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000152258350 1018303117 /nfs/dbraw/zinc/30/31/17/1018303117.db2.gz VTFDBYRLRAYTSH-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCCCC1 ZINC000441177050 1018313094 /nfs/dbraw/zinc/31/30/94/1018313094.db2.gz IGOIGLAYQKDOCW-UHFFFAOYSA-N 1 0 322.405 3.637 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCS1)CCC2 ZINC000447599001 1018433793 /nfs/dbraw/zinc/43/37/93/1018433793.db2.gz JJUFILNURYGPNE-GDBMZVCRSA-N 1 0 306.431 3.848 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000447594227 1018434371 /nfs/dbraw/zinc/43/43/71/1018434371.db2.gz XSDZKJNXXNWXAT-QZTJIDSGSA-N 1 0 317.433 3.652 20 5 DHBDRO COC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000174597648 1018450001 /nfs/dbraw/zinc/45/00/01/1018450001.db2.gz SBOHOUQSMMHLPD-UHFFFAOYSA-N 1 0 320.414 3.838 20 5 DHBDRO C[C@H](COc1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000765440205 1018787472 /nfs/dbraw/zinc/78/74/72/1018787472.db2.gz RYLAQSDJRZMZHQ-ZIAGYGMSSA-N 1 0 300.358 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c(Cl)c1 ZINC000922896495 1018876480 /nfs/dbraw/zinc/87/64/80/1018876480.db2.gz KEWOLSCDRDMJTH-XJKSGUPXSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1F ZINC000340511847 1018895506 /nfs/dbraw/zinc/89/55/06/1018895506.db2.gz IZYTUWPJGHNCNM-JTQLQIEISA-N 1 0 323.755 3.676 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000711149582 1018896118 /nfs/dbraw/zinc/89/61/18/1018896118.db2.gz VZQSCTYBERTHPQ-UHFFFAOYSA-N 1 0 304.724 3.916 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC000921818116 1018900762 /nfs/dbraw/zinc/90/07/62/1018900762.db2.gz MYJLZQWGCKWXOA-CYBMUJFWSA-N 1 0 314.389 3.676 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC000921818120 1018901422 /nfs/dbraw/zinc/90/14/22/1018901422.db2.gz MYJLZQWGCKWXOA-ZDUSSCGKSA-N 1 0 314.389 3.676 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000573220032 1019230353 /nfs/dbraw/zinc/23/03/53/1019230353.db2.gz VQEFZXZLRCGBHF-HZMBPMFUSA-N 1 0 317.414 3.740 20 5 DHBDRO COc1ccccc1/C=C\CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000255045808 1019250703 /nfs/dbraw/zinc/25/07/03/1019250703.db2.gz IGUUJJXNKZZQSO-YFHOEESVSA-N 1 0 312.369 3.749 20 5 DHBDRO CC[C@](C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000255069162 1019266487 /nfs/dbraw/zinc/26/64/87/1019266487.db2.gz JUKIUEDSRYFKFX-IOBAAEILSA-N 1 0 317.414 3.980 20 5 DHBDRO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000611256776 1019423740 /nfs/dbraw/zinc/42/37/40/1019423740.db2.gz YIJINCIRTFSABV-OAHLLOKOSA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000611299901 1019440191 /nfs/dbraw/zinc/44/01/91/1019440191.db2.gz OGVVFZMDAYLGNA-GJZGRUSLSA-N 1 0 313.401 3.970 20 5 DHBDRO CCC1(O)CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611327780 1019446427 /nfs/dbraw/zinc/44/64/27/1019446427.db2.gz UAQYQVGRWXKZLZ-TUBUQKNSSA-N 1 0 306.406 3.638 20 5 DHBDRO CC[C@H]([NH2+]C1CCC(O)(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000611327653 1019446795 /nfs/dbraw/zinc/44/67/95/1019446795.db2.gz NZHCGFMQJKBDTL-WIHSUSGWSA-N 1 0 306.406 3.719 20 5 DHBDRO Cc1c(C[NH+]2CCC(OCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000054328558 1032832851 /nfs/dbraw/zinc/83/28/51/1032832851.db2.gz ICPXIJRJUGYRSH-UHFFFAOYSA-N 1 0 306.406 3.540 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000289946801 1019489418 /nfs/dbraw/zinc/48/94/18/1019489418.db2.gz WISRVNVFIADPBF-NWDGAFQWSA-N 1 0 316.357 3.721 20 5 DHBDRO CCC[C@@]1(C)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750069684 1019633351 /nfs/dbraw/zinc/63/33/51/1019633351.db2.gz FANQXWFRQTXJQJ-IRXDYDNUSA-N 1 0 306.406 3.530 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CC23CC3)s1 ZINC000424183798 1019727988 /nfs/dbraw/zinc/72/79/88/1019727988.db2.gz KGSZFCFHARTWGA-HNNXBMFYSA-N 1 0 300.383 3.965 20 5 DHBDRO Cc1cnccc1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278778522 1019789645 /nfs/dbraw/zinc/78/96/45/1019789645.db2.gz PPNAZKYBTSBQIS-GOSISDBHSA-N 1 0 311.385 3.508 20 5 DHBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCC2)cc1C(F)(F)F ZINC000315531752 1019840364 /nfs/dbraw/zinc/84/03/64/1019840364.db2.gz JPSHDDQLIKUQRC-UHFFFAOYSA-N 1 0 317.311 3.511 20 5 DHBDRO COc1cc(C[N@H+](CCC(C)C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000349942593 1019865021 /nfs/dbraw/zinc/86/50/21/1019865021.db2.gz BCCMVLGJFNYPNJ-UHFFFAOYSA-N 1 0 322.405 3.623 20 5 DHBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001168592913 1019917429 /nfs/dbraw/zinc/91/74/29/1019917429.db2.gz BYWXZOOMRVVFJD-KBPBESRZSA-N 1 0 320.437 3.572 20 5 DHBDRO C[C@H](c1ccco1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000069065266 1019948948 /nfs/dbraw/zinc/94/89/48/1019948948.db2.gz JQLODCHDDGFDDC-CYBMUJFWSA-N 1 0 304.346 3.650 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1cccc(F)c1 ZINC000084439787 1020001065 /nfs/dbraw/zinc/00/10/65/1020001065.db2.gz MYUQKQIJQKQJBK-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO Cc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000922425066 1020069713 /nfs/dbraw/zinc/06/97/13/1020069713.db2.gz SXTJAEKKDITCTQ-GOOCMWNKSA-N 1 0 306.431 3.667 20 5 DHBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(OC(F)(F)F)cc1Cl ZINC001230480604 1020113028 /nfs/dbraw/zinc/11/30/28/1020113028.db2.gz CYEHNYGYAXMYID-VIFPVBQESA-N 1 0 312.739 3.712 20 5 DHBDRO CC(C)c1ccc(CN(C)Cc2cccn2C)cc1[N+](=O)[O-] ZINC000093584625 1020162481 /nfs/dbraw/zinc/16/24/81/1020162481.db2.gz RJBJWTCXDMDFTI-UHFFFAOYSA-N 1 0 301.390 3.689 20 5 DHBDRO CC(C)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093644438 1020164668 /nfs/dbraw/zinc/16/46/68/1020164668.db2.gz RCEWKEZYHNIZFD-HOCLYGCPSA-N 1 0 319.449 3.633 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000155077581 1020186926 /nfs/dbraw/zinc/18/69/26/1020186926.db2.gz SYHLQFOIDYNBGW-QGZVFWFLSA-N 1 0 311.385 3.671 20 5 DHBDRO CC(C)N1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000330658671 1020237530 /nfs/dbraw/zinc/23/75/30/1020237530.db2.gz QULQXDXQWNYAEB-YOEHRIQHSA-N 1 0 305.422 3.508 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000330807106 1020243513 /nfs/dbraw/zinc/24/35/13/1020243513.db2.gz MLTALMAYJPPHBH-OAHLLOKOSA-N 1 0 312.797 3.543 20 5 DHBDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000477724992 1032887156 /nfs/dbraw/zinc/88/71/56/1032887156.db2.gz NEBNAVYUUZCSFH-MRXNPFEDSA-N 1 0 312.369 3.689 20 5 DHBDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155800975 1020274070 /nfs/dbraw/zinc/27/40/70/1020274070.db2.gz MMXSKTOQQZTWOD-YOEHRIQHSA-N 1 0 314.385 3.503 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000732819811 1020288094 /nfs/dbraw/zinc/28/80/94/1020288094.db2.gz AZKYAORHWOLNSQ-ZDUSSCGKSA-N 1 0 302.378 3.531 20 5 DHBDRO COC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000156445086 1020350985 /nfs/dbraw/zinc/35/09/85/1020350985.db2.gz ZJSZFVQMVRCHLT-ZFWWWQNUSA-N 1 0 318.373 3.843 20 5 DHBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC000766008379 1020357932 /nfs/dbraw/zinc/35/79/32/1020357932.db2.gz WYRPDIPLOYOUJF-AWEZNQCLSA-N 1 0 319.449 3.835 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000765845221 1020478752 /nfs/dbraw/zinc/47/87/52/1020478752.db2.gz NONXUMLQPSEMDK-ROUUACIJSA-N 1 0 314.385 3.759 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001116466942 1020487831 /nfs/dbraw/zinc/48/78/31/1020487831.db2.gz NXACOMZGKHCDBL-WCQYABFASA-N 1 0 322.405 3.674 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000765848970 1020502253 /nfs/dbraw/zinc/50/22/53/1020502253.db2.gz MLRPJHLATRKTRR-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000765848969 1020502307 /nfs/dbraw/zinc/50/23/07/1020502307.db2.gz MLRPJHLATRKTRR-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)c1ccncc1 ZINC000615723941 1020580021 /nfs/dbraw/zinc/58/00/21/1020580021.db2.gz CZOZXZVPWKJPCT-IPJDOKCGSA-N 1 0 311.385 3.786 20 5 DHBDRO Cc1cc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)ccc2[nH]1 ZINC000353124186 1020598492 /nfs/dbraw/zinc/59/84/92/1020598492.db2.gz YKRCSNNODGNWLY-UHFFFAOYSA-N 1 0 313.332 3.813 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC3(CCC3)CC2)c(F)c1 ZINC000411869577 1020624004 /nfs/dbraw/zinc/62/40/04/1020624004.db2.gz NBUQKZDNUAKHSN-UHFFFAOYSA-N 1 0 310.394 3.596 20 5 DHBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000411889690 1020627223 /nfs/dbraw/zinc/62/72/23/1020627223.db2.gz GKLYZEKOTBWTJK-PJSAGSTRSA-N 1 0 312.369 3.558 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000735493847 1020744276 /nfs/dbraw/zinc/74/42/76/1020744276.db2.gz RNQUILNTESNGAC-NSHDSACASA-N 1 0 306.749 3.831 20 5 DHBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000580629844 1020850365 /nfs/dbraw/zinc/85/03/65/1020850365.db2.gz GIHGDOFASLYVNA-UWVGGRQHSA-N 1 0 302.296 3.986 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000066410817 1020852329 /nfs/dbraw/zinc/85/23/29/1020852329.db2.gz KLEQEUYWELICAB-LBPRGKRZSA-N 1 0 309.366 3.510 20 5 DHBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(Cl)nc1 ZINC000125712934 1032936702 /nfs/dbraw/zinc/93/67/02/1032936702.db2.gz LNDXSKIUWWCVKI-GQCTYLIASA-N 1 0 317.776 3.788 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000738309694 1020872232 /nfs/dbraw/zinc/87/22/32/1020872232.db2.gz QGXKPIARTFGFJC-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)[C@@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414223980 1021009172 /nfs/dbraw/zinc/00/91/72/1021009172.db2.gz HCAMUBMQKJCQSM-AFAVFJNCSA-N 1 0 306.406 3.839 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)[C@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414223983 1021009475 /nfs/dbraw/zinc/00/94/75/1021009475.db2.gz HCAMUBMQKJCQSM-ZLIFDBKOSA-N 1 0 306.406 3.839 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000414253102 1021034907 /nfs/dbraw/zinc/03/49/07/1021034907.db2.gz ATXGZAQVVZGXLL-YXPYIKCWSA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180422086 1021111609 /nfs/dbraw/zinc/11/16/09/1021111609.db2.gz LXAXVAJSVMVOBF-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO CC(C)(C)c1ccc(-n2nc(C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001167698404 1021120969 /nfs/dbraw/zinc/12/09/69/1021120969.db2.gz VKYCGAOPRAPCRP-UHFFFAOYSA-N 1 0 324.384 3.690 20 5 DHBDRO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188780969 1021173540 /nfs/dbraw/zinc/17/35/40/1021173540.db2.gz JXTCHMQOFAONSC-STQMWFEESA-N 1 0 315.373 3.719 20 5 DHBDRO COc1ccc(C)cc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000917134195 1021191183 /nfs/dbraw/zinc/19/11/83/1021191183.db2.gz LYLIVMOKZVARPA-UHFFFAOYSA-N 1 0 314.385 3.553 20 5 DHBDRO Cc1cncc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c1 ZINC000181535178 1021236825 /nfs/dbraw/zinc/23/68/25/1021236825.db2.gz KAYMPBCASIAWNH-UHFFFAOYSA-N 1 0 308.341 3.767 20 5 DHBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000412033162 1021250280 /nfs/dbraw/zinc/25/02/80/1021250280.db2.gz CMSQOYLNZNGMSL-GFCCVEGCSA-N 1 0 315.373 3.870 20 5 DHBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000618198583 1021326508 /nfs/dbraw/zinc/32/65/08/1021326508.db2.gz FHKZQCQKJVJUIC-HUUCEWRRSA-N 1 0 318.398 3.590 20 5 DHBDRO CCOC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000189349263 1021358489 /nfs/dbraw/zinc/35/84/89/1021358489.db2.gz JERRGWGFLLLMPT-GOEBONIOSA-N 1 0 308.422 3.567 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CCO)CC(C)C ZINC000154649832 1021467736 /nfs/dbraw/zinc/46/77/36/1021467736.db2.gz HPZDPQKOQCJTQD-LSDHHAIUSA-N 1 0 308.422 3.599 20 5 DHBDRO Cc1c([C@@H](C)N[C@@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000480700325 1021469161 /nfs/dbraw/zinc/46/91/61/1021469161.db2.gz QPTSYBMXRUUJET-GOEBONIOSA-N 1 0 319.449 3.818 20 5 DHBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000618679581 1021484702 /nfs/dbraw/zinc/48/47/02/1021484702.db2.gz VOFOSCJTMOMLFG-DOMZBBRYSA-N 1 0 303.387 3.514 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000850368524 1021490355 /nfs/dbraw/zinc/49/03/55/1021490355.db2.gz YZEYISSTDABJRY-AWEZNQCLSA-N 1 0 304.390 3.519 20 5 DHBDRO CC1(C)[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(F)F ZINC000850394639 1021507448 /nfs/dbraw/zinc/50/74/48/1021507448.db2.gz XQXFQRDYCAELOT-NSHDSACASA-N 1 0 304.724 3.629 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850518052 1021574719 /nfs/dbraw/zinc/57/47/19/1021574719.db2.gz ISSZAEYQGFVBEV-XWCIJXRUSA-N 1 0 311.385 3.556 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000850528196 1021583277 /nfs/dbraw/zinc/58/32/77/1021583277.db2.gz JKSYEKMFVGRYEH-XZOAIXRZSA-N 1 0 312.369 3.732 20 5 DHBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541119777 1021659709 /nfs/dbraw/zinc/65/97/09/1021659709.db2.gz GVUARSCNRJHOOM-NSHDSACASA-N 1 0 302.827 3.822 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCC3CC3)cs2)c1 ZINC000130627472 1021685561 /nfs/dbraw/zinc/68/55/61/1021685561.db2.gz PXZRBMINLYLMDB-UHFFFAOYSA-N 1 0 317.414 3.998 20 5 DHBDRO C[C@H]([NH2+]CCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538174318 1033005074 /nfs/dbraw/zinc/00/50/74/1033005074.db2.gz FBRDNHVGZATGCB-ZDUSSCGKSA-N 1 0 318.348 3.854 20 5 DHBDRO CC1(C)Cc2cc(C[NH2+]Cc3ccccc3[N+](=O)[O-])ccc2O1 ZINC000236763355 1021766114 /nfs/dbraw/zinc/76/61/14/1021766114.db2.gz NOFKDLVYTWLWED-UHFFFAOYSA-N 1 0 312.369 3.598 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000070755088 1021808706 /nfs/dbraw/zinc/80/87/06/1021808706.db2.gz KQZPLZGFFDJXIS-UHFFFAOYSA-N 1 0 300.333 3.899 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2cnccc2c1 ZINC000619847271 1021922043 /nfs/dbraw/zinc/92/20/43/1021922043.db2.gz LKAIUGIQNUWPBB-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122664551 1021926678 /nfs/dbraw/zinc/92/66/78/1021926678.db2.gz GARCYVSVLRVCKD-SNVBAGLBSA-N 1 0 302.827 3.822 20 5 DHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000919963878 1021989616 /nfs/dbraw/zinc/98/96/16/1021989616.db2.gz OHZCFXHLDGETQW-CHWSQXEVSA-N 1 0 309.385 3.514 20 5 DHBDRO CCS[C@H]1CCCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000480949333 1022049372 /nfs/dbraw/zinc/04/93/72/1022049372.db2.gz BWMMBBZDCXAYBT-INIZCTEOSA-N 1 0 324.446 3.581 20 5 DHBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580131 1022097366 /nfs/dbraw/zinc/09/73/66/1022097366.db2.gz RKSMMOGEFRYPMQ-HOTGVXAUSA-N 1 0 306.406 3.529 20 5 DHBDRO C[N@H+](CCC1CCCCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581897 1022100601 /nfs/dbraw/zinc/10/06/01/1022100601.db2.gz OKVJRQNDYYIEOH-QGZVFWFLSA-N 1 0 306.406 3.530 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC23CCCCC3)c1 ZINC000852310669 1022101638 /nfs/dbraw/zinc/10/16/38/1022101638.db2.gz RWARJLRFIVQHMI-IAGOWNOFSA-N 1 0 318.417 3.721 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)CSC)cc1[N+](=O)[O-] ZINC000183523148 1022162938 /nfs/dbraw/zinc/16/29/38/1022162938.db2.gz DVAPBICWDCQUMS-WCQYABFASA-N 1 0 312.435 3.786 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC001168976975 1022197856 /nfs/dbraw/zinc/19/78/56/1022197856.db2.gz GLHGACRUOGDKIV-RISCZKNCSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC001168976976 1022198103 /nfs/dbraw/zinc/19/81/03/1022198103.db2.gz GLHGACRUOGDKIV-SMDDNHRTSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCCCC2)C1 ZINC001168976725 1022198164 /nfs/dbraw/zinc/19/81/64/1022198164.db2.gz FSXUHKKWAVNGAK-WBVHZDCISA-N 1 0 302.418 3.881 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cc(Cl)ccc2Cl)C1 ZINC001168964668 1022200530 /nfs/dbraw/zinc/20/05/30/1022200530.db2.gz VBLMDCLHBRLTCZ-ZWNOBZJWSA-N 1 0 317.216 3.571 20 5 DHBDRO C[C@]12CC3CC([NH2+][C@H]4CC[C@@H](C[N+](=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC001168965545 1022202072 /nfs/dbraw/zinc/20/20/72/1022202072.db2.gz AMCKPEBKVULKOW-PSDLTNOISA-N 1 0 306.450 3.770 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCCCC2)C1 ZINC001168966106 1022204292 /nfs/dbraw/zinc/20/42/92/1022204292.db2.gz GKGYFMQVMHKVKH-FUHWJXTLSA-N 1 0 316.445 3.924 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC001168970671 1022205241 /nfs/dbraw/zinc/20/52/41/1022205241.db2.gz IEKSBKRCJBPWDR-GHMZBOCLSA-N 1 0 303.189 3.528 20 5 DHBDRO Cc1nn(C[N@@H+](C)C2CCC(C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000921045946 1022208517 /nfs/dbraw/zinc/20/85/17/1022208517.db2.gz JPGMYOJCIDFXTO-UHFFFAOYSA-N 1 0 322.453 3.902 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CC2)c2cccc(F)c2)C1 ZINC001169001718 1022211083 /nfs/dbraw/zinc/21/10/83/1022211083.db2.gz HXNJVKYQOMPASX-XYPHTWIQSA-N 1 0 306.381 3.702 20 5 DHBDRO Cc1ccc(CC(C)(C)C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168997119 1022211141 /nfs/dbraw/zinc/21/11/41/1022211141.db2.gz XUOBWKKSRRYODF-DLBZAZTESA-N 1 0 304.434 3.599 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000198768859 1022211792 /nfs/dbraw/zinc/21/17/92/1022211792.db2.gz MLKZRBBSAGISPK-UHFFFAOYSA-N 1 0 312.369 3.680 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccccc3)C2)C1 ZINC001169007685 1022212425 /nfs/dbraw/zinc/21/24/25/1022212425.db2.gz PFMNIUXBYPCBOK-SPUZQDLCSA-N 1 0 302.418 3.748 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC001169005673 1022213270 /nfs/dbraw/zinc/21/32/70/1022213270.db2.gz BYMNTSNFZQRQBX-CXAGYDPISA-N 1 0 320.820 3.875 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1c(F)cccc1Cl ZINC001168986641 1022217878 /nfs/dbraw/zinc/21/78/78/1022217878.db2.gz XZVSFMLIANPQKY-DCAQKATOSA-N 1 0 300.761 3.575 20 5 DHBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169032926 1022218545 /nfs/dbraw/zinc/21/85/45/1022218545.db2.gz AAAJEVDIHUXJMO-KYJSFNMBSA-N 1 0 318.417 3.668 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2c3ccccc3Oc3ccccc32)C1 ZINC001168989309 1022219287 /nfs/dbraw/zinc/21/92/87/1022219287.db2.gz VVKOQKOYYWTPSS-UONOGXRCSA-N 1 0 324.380 3.917 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001169039792 1022222821 /nfs/dbraw/zinc/22/28/21/1022222821.db2.gz UBDYVHANYWMHCE-INWMFGNUSA-N 1 0 308.809 3.575 20 5 DHBDRO CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038913 1022223114 /nfs/dbraw/zinc/22/31/14/1022223114.db2.gz LGCIPCDGLCNJGR-YLFCFFPRSA-N 1 0 312.454 3.695 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2c([C@H]3CCC[NH2+]3)cc3ccccc32)C1 ZINC001169024950 1022227672 /nfs/dbraw/zinc/22/76/72/1022227672.db2.gz ICDIPYHVPALMFV-VNQPRFMTSA-N 1 0 313.401 3.684 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2c(F)cccc2F)C1 ZINC001169046329 1022228372 /nfs/dbraw/zinc/22/83/72/1022228372.db2.gz KNNAMVYTQGFPSI-XUJVJEKNSA-N 1 0 310.344 3.547 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1F ZINC001169153829 1022285578 /nfs/dbraw/zinc/28/55/78/1022285578.db2.gz USCVCIKHSONXRF-SJKOYZFVSA-N 1 0 323.412 3.998 20 5 DHBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000763453597 1022290570 /nfs/dbraw/zinc/29/05/70/1022290570.db2.gz PMQAWMMXZNEKEC-CVEARBPZSA-N 1 0 322.380 3.513 20 5 DHBDRO CCC[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609598781 1022311970 /nfs/dbraw/zinc/31/19/70/1022311970.db2.gz DVTKVSNQMWQTPL-NSHDSACASA-N 1 0 305.403 3.997 20 5 DHBDRO C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000609598792 1022312113 /nfs/dbraw/zinc/31/21/13/1022312113.db2.gz PHISIYFQOROLQG-NSHDSACASA-N 1 0 317.414 3.854 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC001169567002 1022453971 /nfs/dbraw/zinc/45/39/71/1022453971.db2.gz LOMMJCXKRRXELL-DOMZBBRYSA-N 1 0 306.406 3.908 20 5 DHBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001169780239 1022541390 /nfs/dbraw/zinc/54/13/90/1022541390.db2.gz JYBBOONRGXHKBR-INIZCTEOSA-N 1 0 310.369 3.515 20 5 DHBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417319233 1022681251 /nfs/dbraw/zinc/68/12/51/1022681251.db2.gz BKNOSPPCYXVRMB-UNEWFSDZSA-N 1 0 304.390 3.519 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCO1)CCCC2 ZINC000417340493 1022687323 /nfs/dbraw/zinc/68/73/23/1022687323.db2.gz MLOYJIZWGONDKR-WBVHZDCISA-N 1 0 304.390 3.521 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC([NH+]2CCCCC2)CC1 ZINC000804358110 1022744258 /nfs/dbraw/zinc/74/42/58/1022744258.db2.gz SCJIIBHUWZEKMG-UHFFFAOYSA-N 1 0 323.824 3.703 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173341676 1022810878 /nfs/dbraw/zinc/81/08/78/1022810878.db2.gz KCPMIQYLIJIGDE-BDJLRTHQSA-N 1 0 320.776 3.632 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000184366341 1022848160 /nfs/dbraw/zinc/84/81/60/1022848160.db2.gz WQCUFKRPVCOMSU-CQSZACIVSA-N 1 0 305.403 3.643 20 5 DHBDRO CN(C)C(=O)C[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC000162494109 1022871149 /nfs/dbraw/zinc/87/11/49/1022871149.db2.gz JVGYJXSBRZAVKH-UHFFFAOYSA-N 1 0 306.409 3.513 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856806154 1022873074 /nfs/dbraw/zinc/87/30/74/1022873074.db2.gz BAHNHJKZOXSJTE-OGOUPESXSA-N 1 0 315.200 3.782 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000173358544 1022945408 /nfs/dbraw/zinc/94/54/08/1022945408.db2.gz BLTUKWAGXYBIEM-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC000768540935 1022985061 /nfs/dbraw/zinc/98/50/61/1022985061.db2.gz CHRXYGBZDUKNDW-UHFFFAOYSA-N 1 0 316.788 3.847 20 5 DHBDRO CSC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000312726428 1023132693 /nfs/dbraw/zinc/13/26/93/1023132693.db2.gz RSFDPLAJZCNIAL-LBPRGKRZSA-N 1 0 314.838 3.823 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000769425126 1023147414 /nfs/dbraw/zinc/14/74/14/1023147414.db2.gz DMDJJHUFWQQSKA-HNNXBMFYSA-N 1 0 324.380 3.519 20 5 DHBDRO C[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC000770281763 1023289869 /nfs/dbraw/zinc/28/98/69/1023289869.db2.gz ADCYFHGBLUXXPR-UWVGGRQHSA-N 1 0 313.195 3.588 20 5 DHBDRO COCc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000173401818 1033125930 /nfs/dbraw/zinc/12/59/30/1033125930.db2.gz AXCWMVBXNUGMIF-LBPRGKRZSA-N 1 0 318.348 3.731 20 5 DHBDRO COCc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000173401828 1033126585 /nfs/dbraw/zinc/12/65/85/1033126585.db2.gz AXCWMVBXNUGMIF-GFCCVEGCSA-N 1 0 318.348 3.731 20 5 DHBDRO CC(C)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000746674089 1023783956 /nfs/dbraw/zinc/78/39/56/1023783956.db2.gz NHYWLJCZDCWZPY-UHFFFAOYSA-N 1 0 312.797 3.638 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788481844 1023891833 /nfs/dbraw/zinc/89/18/33/1023891833.db2.gz JNMRUESFQDZGHO-OLZOCXBDSA-N 1 0 312.410 3.840 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1F ZINC000788487018 1023893953 /nfs/dbraw/zinc/89/39/53/1023893953.db2.gz BCFCSAIJRVFGET-CABCVRRESA-N 1 0 310.394 3.594 20 5 DHBDRO C[C@@H]([NH2+]CC1(c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504046 1023896174 /nfs/dbraw/zinc/89/61/74/1023896174.db2.gz AIKXIKJHHQEUSQ-CYBMUJFWSA-N 1 0 311.385 3.559 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589372 1023910487 /nfs/dbraw/zinc/91/04/87/1023910487.db2.gz BDYQMVVJSNHGRR-IUODEOHRSA-N 1 0 311.385 3.558 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Cc1cccs1 ZINC000788613201 1023913476 /nfs/dbraw/zinc/91/34/76/1023913476.db2.gz OLPWUTSOQJKGDN-NEPJUHHUSA-N 1 0 319.430 3.768 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788647619 1023914325 /nfs/dbraw/zinc/91/43/25/1023914325.db2.gz HTBXQTXNTQUTPN-MRVPVSSYSA-N 1 0 311.794 3.743 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788748748 1023934697 /nfs/dbraw/zinc/93/46/97/1023934697.db2.gz AFUBVUXQOFFCGE-YGRLFVJLSA-N 1 0 317.414 3.967 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268748647 1024151201 /nfs/dbraw/zinc/15/12/01/1024151201.db2.gz IUPJGHKYPRKFSV-BDJLRTHQSA-N 1 0 320.776 3.632 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCn2cnc3ccccc32)cccc1[N+](=O)[O-] ZINC000268816638 1024169787 /nfs/dbraw/zinc/16/97/87/1024169787.db2.gz KPPHCQRVIQUMHV-CQSZACIVSA-N 1 0 324.384 3.604 20 5 DHBDRO CCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000268985139 1024211681 /nfs/dbraw/zinc/21/16/81/1024211681.db2.gz PWQCBZXULIQQMO-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)cccc1[N+](=O)[O-] ZINC000269052912 1024232618 /nfs/dbraw/zinc/23/26/18/1024232618.db2.gz RPCHTFHESHDZOX-WBMJQRKESA-N 1 0 320.414 3.523 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC000883257379 1024324614 /nfs/dbraw/zinc/32/46/14/1024324614.db2.gz ZYFUYBHZBCSPGE-JTQLQIEISA-N 1 0 314.332 3.689 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)CC(F)F ZINC000883260014 1024331224 /nfs/dbraw/zinc/33/12/24/1024331224.db2.gz HJHWSWIVORQPLY-JTQLQIEISA-N 1 0 318.339 3.936 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCOc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000790696498 1024358132 /nfs/dbraw/zinc/35/81/32/1024358132.db2.gz SWEOGWPKADRBCS-HNNXBMFYSA-N 1 0 316.332 3.656 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C2CCC3(COC3)CC2)cccc1[N+](=O)[O-] ZINC000883379266 1024411126 /nfs/dbraw/zinc/41/11/26/1024411126.db2.gz VHLFADPUGSDELD-ZDUSSCGKSA-N 1 0 304.390 3.513 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000453305693 1024453247 /nfs/dbraw/zinc/45/32/47/1024453247.db2.gz ACHMMXCMQHVXBH-LSDHHAIUSA-N 1 0 318.417 3.903 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cnccc2C)cc1[N+](=O)[O-] ZINC000453318368 1024459553 /nfs/dbraw/zinc/45/95/53/1024459553.db2.gz BIPXQTVDVPAZPM-CYBMUJFWSA-N 1 0 315.373 3.548 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC2CCSCC2)cc1[N+](=O)[O-] ZINC000271195278 1024468776 /nfs/dbraw/zinc/46/87/76/1024468776.db2.gz YFLIIYRKXKLJGW-LBPRGKRZSA-N 1 0 324.446 3.787 20 5 DHBDRO CCn1ccnc1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453359676 1024481160 /nfs/dbraw/zinc/48/11/60/1024481160.db2.gz QEYKLAWEDQELLA-OLZOCXBDSA-N 1 0 302.378 3.531 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000453379099 1024497586 /nfs/dbraw/zinc/49/75/86/1024497586.db2.gz WISHHYLAVABBOJ-CQDKDKBSSA-N 1 0 304.390 3.690 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000271520719 1024529318 /nfs/dbraw/zinc/52/93/18/1024529318.db2.gz PKWWHTSOUCNIOB-DZGCQCFKSA-N 1 0 304.390 3.656 20 5 DHBDRO CC1(C)C[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000453449280 1024530307 /nfs/dbraw/zinc/53/03/07/1024530307.db2.gz ZUYICESHQOEYEK-CXAGYDPISA-N 1 0 318.417 3.767 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1[C@H](C)CCC[C@H]1C ZINC000532231289 1024582321 /nfs/dbraw/zinc/58/23/21/1024582321.db2.gz JVWCBXJMUOBKHJ-OAGGEKHMSA-N 1 0 319.449 3.817 20 5 DHBDRO C[C@]1(c2ccccc2)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000532293401 1024595085 /nfs/dbraw/zinc/59/50/85/1024595085.db2.gz UJARBAZKABICRI-INIZCTEOSA-N 1 0 302.399 3.820 20 5 DHBDRO Cc1nc(C)c([C@H](C)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000106878380 1024607338 /nfs/dbraw/zinc/60/73/38/1024607338.db2.gz RVZSRYBOGZCTPX-LBPRGKRZSA-N 1 0 319.430 3.904 20 5 DHBDRO Cc1c(C[NH2+]CCc2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000792183417 1024643568 /nfs/dbraw/zinc/64/35/68/1024643568.db2.gz MSUWPNGLKQPCOJ-UHFFFAOYSA-N 1 0 306.312 3.514 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000348931363 1024651368 /nfs/dbraw/zinc/65/13/68/1024651368.db2.gz AWHSAAVBERRQFX-IOMDMTNGSA-N 1 0 309.369 3.840 20 5 DHBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279048166 1024700580 /nfs/dbraw/zinc/70/05/80/1024700580.db2.gz JZBHHQHYIQWYOL-KRWDZBQOSA-N 1 0 312.369 3.813 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170300413 1024730146 /nfs/dbraw/zinc/73/01/46/1024730146.db2.gz ZWMULGRYHYFCGU-IPYPFGDCSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC001170300216 1024730458 /nfs/dbraw/zinc/73/04/58/1024730458.db2.gz YOCXRZOGIVQVEA-NEPJUHHUSA-N 1 0 320.414 3.947 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC001170304699 1024731745 /nfs/dbraw/zinc/73/17/45/1024731745.db2.gz FXLBEZZGMYSKHB-STQMWFEESA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170290564 1024738371 /nfs/dbraw/zinc/73/83/71/1024738371.db2.gz CWFJUUXDWCAYQW-DVOMOZLQSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170317758 1024740690 /nfs/dbraw/zinc/74/06/90/1024740690.db2.gz LDLILXCTCVUXHI-OCCSQVGLSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001170313032 1024741572 /nfs/dbraw/zinc/74/15/72/1024741572.db2.gz JCMAXDKESYCETO-WBMJQRKESA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170335920 1024745272 /nfs/dbraw/zinc/74/52/72/1024745272.db2.gz RAQWCCJVATZKPB-AWEZNQCLSA-N 1 0 318.417 3.801 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCCC23CC3)c([N+](=O)[O-])c1 ZINC001170353108 1024749461 /nfs/dbraw/zinc/74/94/61/1024749461.db2.gz VXFDTYMGWCEIOO-ZDUSSCGKSA-N 1 0 304.390 3.553 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@H+](C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC001170352349 1024749674 /nfs/dbraw/zinc/74/96/74/1024749674.db2.gz MCYSSMPEVIBKEP-TZMCWYRMSA-N 1 0 306.406 3.512 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC001170355328 1024750119 /nfs/dbraw/zinc/75/01/19/1024750119.db2.gz ZVAILUVBFUIHQE-CQSZACIVSA-N 1 0 318.417 3.801 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC001170354508 1024750537 /nfs/dbraw/zinc/75/05/37/1024750537.db2.gz MLSJOLTUOUYIPX-CZUORRHYSA-N 1 0 306.406 3.655 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170341247 1024756946 /nfs/dbraw/zinc/75/69/46/1024756946.db2.gz HMXRWBNEBKFGBN-KGLIPLIRSA-N 1 0 306.406 3.799 20 5 DHBDRO CC[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728895903 1024780113 /nfs/dbraw/zinc/78/01/13/1024780113.db2.gz DEBDONZSPJQAFX-CQSZACIVSA-N 1 0 314.389 3.538 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000150879135 1024870815 /nfs/dbraw/zinc/87/08/15/1024870815.db2.gz AJHFXDSADIBDML-ZDUSSCGKSA-N 1 0 323.824 3.703 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000107714238 1024935055 /nfs/dbraw/zinc/93/50/55/1024935055.db2.gz BPJXKUSFDDGFLM-UHFFFAOYSA-N 1 0 309.369 3.799 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000051315981 1024942439 /nfs/dbraw/zinc/94/24/39/1024942439.db2.gz SAUAUWYHXTXFIX-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO CC(C)c1ccc(CN[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000353089137 1024943671 /nfs/dbraw/zinc/94/36/71/1024943671.db2.gz DOKUFPJLCQGJDA-CQSZACIVSA-N 1 0 307.438 3.537 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000793243572 1024961439 /nfs/dbraw/zinc/96/14/39/1024961439.db2.gz SXUUKGBHTGCFKA-MSOLQXFVSA-N 1 0 314.385 3.587 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000279733718 1025204105 /nfs/dbraw/zinc/20/41/05/1025204105.db2.gz WIWXFCVBVKTCGQ-GDBMZVCRSA-N 1 0 320.414 3.648 20 5 DHBDRO Cc1cc(F)ccc1CN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000753787060 1025277685 /nfs/dbraw/zinc/27/76/85/1025277685.db2.gz UUEXBICVQUGHMV-UHFFFAOYSA-N 1 0 306.312 3.813 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000927016864 1033272379 /nfs/dbraw/zinc/27/23/79/1033272379.db2.gz LRAKTARQSROVJO-BBRMVZONSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1cccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001170451643 1025299808 /nfs/dbraw/zinc/29/98/08/1025299808.db2.gz VOYGDYWQAKTREG-UHFFFAOYSA-N 1 0 305.422 3.967 20 5 DHBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000897441767 1025339934 /nfs/dbraw/zinc/33/99/34/1025339934.db2.gz INIJZSPBMRZEJK-MRXNPFEDSA-N 1 0 318.417 3.625 20 5 DHBDRO CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897459118 1025350364 /nfs/dbraw/zinc/35/03/64/1025350364.db2.gz HPVUHEXFMAPCEI-RRFJBIMHSA-N 1 0 306.406 3.636 20 5 DHBDRO C[C@@H](CCc1cccnc1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459145 1025351683 /nfs/dbraw/zinc/35/16/83/1025351683.db2.gz IOWMNTMSQMSWSP-CABCVRRESA-N 1 0 313.401 3.704 20 5 DHBDRO COCCCC1(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000897461414 1025361570 /nfs/dbraw/zinc/36/15/70/1025361570.db2.gz OJSJSLJUQQFUPS-OAHLLOKOSA-N 1 0 320.433 3.885 20 5 DHBDRO C[C@H](C[NH2+]Cc1cnc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000897461021 1025363020 /nfs/dbraw/zinc/36/30/20/1025363020.db2.gz XFZMBQNGYAEVFU-SNVBAGLBSA-N 1 0 323.755 3.676 20 5 DHBDRO CSc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897463738 1025365788 /nfs/dbraw/zinc/36/57/88/1025365788.db2.gz HWNVENXPXQRAQY-LLVKDONJSA-N 1 0 306.387 3.803 20 5 DHBDRO Cc1nc(C)c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897470191 1025459122 /nfs/dbraw/zinc/45/91/22/1025459122.db2.gz ZUWDQXQEYIHOJH-JTQLQIEISA-N 1 0 305.403 3.561 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)CC2CCCC2)C2CC2)cc1 ZINC000354727006 1025492805 /nfs/dbraw/zinc/49/28/05/1025492805.db2.gz GLLNYLCPJPLVOL-SFHVURJKSA-N 1 0 318.417 3.500 20 5 DHBDRO Cc1ccc([C@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)c(C)c1 ZINC000886181722 1025551531 /nfs/dbraw/zinc/55/15/31/1025551531.db2.gz RYPGEPFXSCRLAU-HNNXBMFYSA-N 1 0 311.385 3.596 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000886202000 1025556104 /nfs/dbraw/zinc/55/61/04/1025556104.db2.gz YVCRVUBAOWDSLP-RCCFBDPRSA-N 1 0 323.396 3.758 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000886201997 1025556290 /nfs/dbraw/zinc/55/62/90/1025556290.db2.gz YVCRVUBAOWDSLP-KSZLIROESA-N 1 0 323.396 3.758 20 5 DHBDRO Cc1c(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000886341359 1025594567 /nfs/dbraw/zinc/59/45/67/1025594567.db2.gz ULVGQPSBRMBCFE-QGZVFWFLSA-N 1 0 318.417 3.732 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000886363071 1025602148 /nfs/dbraw/zinc/60/21/48/1025602148.db2.gz ZCHMAHDRECSIHA-HNNXBMFYSA-N 1 0 316.332 3.520 20 5 DHBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877400411 1033294422 /nfs/dbraw/zinc/29/44/22/1033294422.db2.gz SWCJBJVISBEQPJ-WXLSXGNJSA-N 1 0 320.437 3.689 20 5 DHBDRO CCC1([NH+]2CCC2)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000886707287 1025815143 /nfs/dbraw/zinc/81/51/43/1025815143.db2.gz CYRJWRAHCSMQDJ-OAHLLOKOSA-N 1 0 317.433 3.606 20 5 DHBDRO CCC1([NH+]2CCC2)CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000886711381 1025823895 /nfs/dbraw/zinc/82/38/95/1025823895.db2.gz UUVRWOXMKWPODE-HNNXBMFYSA-N 1 0 317.433 3.606 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355788057 1025837400 /nfs/dbraw/zinc/83/74/00/1025837400.db2.gz UIWBPCWOYSPRKM-INIZCTEOSA-N 1 0 324.808 3.641 20 5 DHBDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000089667906 1026062490 /nfs/dbraw/zinc/06/24/90/1026062490.db2.gz HCDLSAYRHOIMIY-RHSMWYFYSA-N 1 0 314.385 3.942 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289640450 1026111037 /nfs/dbraw/zinc/11/10/37/1026111037.db2.gz FOLGJPBOHMPOJX-UHOFOFEASA-N 1 0 304.390 3.545 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OC2CCC2)CC1 ZINC000419301663 1026115734 /nfs/dbraw/zinc/11/57/34/1026115734.db2.gz LQBNFAVTSRXKSG-AWEZNQCLSA-N 1 0 318.417 3.998 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC000600140095 1026264204 /nfs/dbraw/zinc/26/42/04/1026264204.db2.gz ZNPVRLPSRZUUQY-VIFPVBQESA-N 1 0 318.751 3.814 20 5 DHBDRO COc1ccc(CN(Cc2csc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000054153327 1026328876 /nfs/dbraw/zinc/32/88/76/1026328876.db2.gz BQUBCAGPJDKLMD-UHFFFAOYSA-N 1 0 318.398 3.830 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000894197699 1026346192 /nfs/dbraw/zinc/34/61/92/1026346192.db2.gz NHJKVYGEDAVWHR-SECBINFHSA-N 1 0 304.724 3.773 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000513472607 1026519308 /nfs/dbraw/zinc/51/93/08/1026519308.db2.gz IBNFULHKRKNJBK-HNNXBMFYSA-N 1 0 300.333 3.723 20 5 DHBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000280423434 1026648586 /nfs/dbraw/zinc/64/85/86/1026648586.db2.gz ZHGJWGMBIMWOJV-HNNXBMFYSA-N 1 0 312.797 3.639 20 5 DHBDRO C[NH+](C)CCSCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809959689 1026650308 /nfs/dbraw/zinc/65/03/08/1026650308.db2.gz MTRFEDIEVFRRSV-UHFFFAOYSA-N 1 0 309.218 3.696 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420944729 1026886372 /nfs/dbraw/zinc/88/63/72/1026886372.db2.gz JVRYGNFIVPZKOF-LBPRGKRZSA-N 1 0 302.296 3.759 20 5 DHBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000421376328 1026970708 /nfs/dbraw/zinc/97/07/08/1026970708.db2.gz GTSPHRQKELNCNL-CABCVRRESA-N 1 0 306.406 3.765 20 5 DHBDRO CCCCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811476889 1027017199 /nfs/dbraw/zinc/01/71/99/1027017199.db2.gz VSJWFFGLINPVQO-UHFFFAOYSA-N 1 0 321.204 3.808 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccncc1Cl ZINC000421832690 1027062623 /nfs/dbraw/zinc/06/26/23/1027062623.db2.gz HNXSNWHSFZDMOY-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CC[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000421863981 1027071696 /nfs/dbraw/zinc/07/16/96/1027071696.db2.gz XFNGQHOBTUGXOX-QEORTHHSSA-N 1 0 318.417 3.864 20 5 DHBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000562237409 1027322151 /nfs/dbraw/zinc/32/21/51/1027322151.db2.gz ZGHBDCCBSWHSHD-ZDUSSCGKSA-N 1 0 323.437 3.913 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)C1CCCCC1)CCC2 ZINC000573911269 1027340000 /nfs/dbraw/zinc/34/00/00/1027340000.db2.gz XPFUJQOAWAVJLE-QZTJIDSGSA-N 1 0 318.417 3.503 20 5 DHBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850524 1027445158 /nfs/dbraw/zinc/44/51/58/1027445158.db2.gz UTBAIRUGXXAXPI-KDOFPFPSSA-N 1 0 314.385 3.539 20 5 DHBDRO CSC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000362947644 1027457339 /nfs/dbraw/zinc/45/73/39/1027457339.db2.gz BQHCRGIFLASDKK-OAHLLOKOSA-N 1 0 324.446 3.709 20 5 DHBDRO CC[C@@H]([NH2+]C1CCC(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000295868798 1027471249 /nfs/dbraw/zinc/47/12/49/1027471249.db2.gz XFBYIIUOOQEFHH-PUJMQQBBSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423345645 1027506116 /nfs/dbraw/zinc/50/61/16/1027506116.db2.gz FZHKDQSVJMDHGX-SGTLLEGYSA-N 1 0 311.385 3.905 20 5 DHBDRO CO[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000295976622 1027507102 /nfs/dbraw/zinc/50/71/02/1027507102.db2.gz KTZUACCISLNTRM-BBRMVZONSA-N 1 0 306.406 3.711 20 5 DHBDRO Cc1c(C[N@@H+]2CCC=C(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000575822499 1027510428 /nfs/dbraw/zinc/51/04/28/1027510428.db2.gz ATCJCAIVVFDGEG-UHFFFAOYSA-N 1 0 309.369 3.588 20 5 DHBDRO CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423499719 1027564478 /nfs/dbraw/zinc/56/44/78/1027564478.db2.gz JLHJVPFZOBZUNB-SCLBCKFNSA-N 1 0 313.401 3.508 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000576554751 1027632546 /nfs/dbraw/zinc/63/25/46/1027632546.db2.gz AIZIGWPYFPKUKC-UKRRQHHQSA-N 1 0 307.438 3.674 20 5 DHBDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000576805949 1027663246 /nfs/dbraw/zinc/66/32/46/1027663246.db2.gz WNFJIWBVGOZDFW-UWVGGRQHSA-N 1 0 302.296 3.844 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(Cl)c1 ZINC000798965146 1027667522 /nfs/dbraw/zinc/66/75/22/1027667522.db2.gz OWGTUDJUBQNFBH-ZDUSSCGKSA-N 1 0 317.776 3.633 20 5 DHBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000813630199 1027680103 /nfs/dbraw/zinc/68/01/03/1027680103.db2.gz JDGSDYRJDXVYAN-LBPRGKRZSA-N 1 0 323.824 3.559 20 5 DHBDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296639283 1027694158 /nfs/dbraw/zinc/69/41/58/1027694158.db2.gz BXYSOWYVINXDFU-CMPLNLGQSA-N 1 0 320.311 3.603 20 5 DHBDRO COCC(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000814172731 1027908946 /nfs/dbraw/zinc/90/89/46/1027908946.db2.gz AUHZBGXUVYHMNX-UHFFFAOYSA-N 1 0 321.204 3.664 20 5 DHBDRO CCC(CC)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000814177880 1027915873 /nfs/dbraw/zinc/91/58/73/1027915873.db2.gz SUIFZRMBFSXSEK-UHFFFAOYSA-N 1 0 300.786 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)c(F)c1 ZINC000601156407 1028007668 /nfs/dbraw/zinc/00/76/68/1028007668.db2.gz WHGMMGJUQKFGHB-MRXNPFEDSA-N 1 0 322.380 3.563 20 5 DHBDRO C[C@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601305399 1028070170 /nfs/dbraw/zinc/07/01/70/1028070170.db2.gz XHFMCMFWDQFBTH-WMLDXEAASA-N 1 0 318.417 3.985 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C12CCC2 ZINC000783634471 1028085616 /nfs/dbraw/zinc/08/56/16/1028085616.db2.gz FPXNBXBBGPXPPG-LSDHHAIUSA-N 1 0 324.808 3.686 20 5 DHBDRO Cc1c([C@H]2CCC[N@H+]2[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000367336646 1028169980 /nfs/dbraw/zinc/16/99/80/1028169980.db2.gz WKFCDNREJGLJBM-YVEFUNNKSA-N 1 0 314.389 3.535 20 5 DHBDRO COCC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000579374405 1028395180 /nfs/dbraw/zinc/39/51/80/1028395180.db2.gz REDLTHJSMWIBDK-CABCVRRESA-N 1 0 316.357 3.543 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(F)c1F ZINC000449144156 1028397753 /nfs/dbraw/zinc/39/77/53/1028397753.db2.gz YRAUYAVYKLKHRJ-GFCCVEGCSA-N 1 0 320.339 3.636 20 5 DHBDRO COc1cc(C)ccc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449190524 1028428023 /nfs/dbraw/zinc/42/80/23/1028428023.db2.gz JCTUHIQQIRIPAA-CQSZACIVSA-N 1 0 314.385 3.633 20 5 DHBDRO COCC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000449253153 1028477871 /nfs/dbraw/zinc/47/78/71/1028477871.db2.gz UQHXALAWQJHRFH-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO COC1CCC(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449238715 1028483984 /nfs/dbraw/zinc/48/39/84/1028483984.db2.gz SSZDMGHRRFCWFO-HPUBIQBYSA-N 1 0 320.433 3.711 20 5 DHBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449243241 1028492182 /nfs/dbraw/zinc/49/21/82/1028492182.db2.gz JEPUHTYCKAFIJN-JQWIXIFHSA-N 1 0 304.312 3.846 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC(F)(F)CC1 ZINC000449307952 1028526752 /nfs/dbraw/zinc/52/67/52/1028526752.db2.gz SRAQMGODYQIRKV-GFCCVEGCSA-N 1 0 312.360 3.941 20 5 DHBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000815576596 1028551452 /nfs/dbraw/zinc/55/14/52/1028551452.db2.gz UIWCAIPWEPXSLT-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO CCC(CC)(C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)SC ZINC000815584341 1028554431 /nfs/dbraw/zinc/55/44/31/1028554431.db2.gz AJCJGESBADKQOR-NSHDSACASA-N 1 0 311.451 3.749 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCc3ccccc32)cs1 ZINC000449373247 1028584620 /nfs/dbraw/zinc/58/46/20/1028584620.db2.gz BKIZONUASXLQSF-AWEZNQCLSA-N 1 0 302.399 3.866 20 5 DHBDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000449401310 1028621773 /nfs/dbraw/zinc/62/17/73/1028621773.db2.gz GOSFTPDEVVEEQQ-GRDNDAEWSA-N 1 0 308.422 3.567 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000370681957 1028638046 /nfs/dbraw/zinc/63/80/46/1028638046.db2.gz LLYHPBKDPJWGCC-GUDXXQAFSA-N 1 0 318.417 3.757 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H](C)O ZINC000449543968 1028757653 /nfs/dbraw/zinc/75/76/53/1028757653.db2.gz PLYBTIVEEDRAQS-NHYWBVRUSA-N 1 0 320.414 3.572 20 5 DHBDRO CCn1ccnc1[C@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449563760 1028807455 /nfs/dbraw/zinc/80/74/55/1028807455.db2.gz YGPFWIRFEDIBSE-UELRPHRMSA-N 1 0 314.389 3.565 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000372169029 1028818888 /nfs/dbraw/zinc/81/88/88/1028818888.db2.gz COSYOLHEBYMCOA-LSDHHAIUSA-N 1 0 317.433 3.605 20 5 DHBDRO Cc1ccncc1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000567312560 1028874071 /nfs/dbraw/zinc/87/40/71/1028874071.db2.gz ZHYIJIAPUSGBTD-UHFFFAOYSA-N 1 0 319.792 3.674 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000042096667 1028893235 /nfs/dbraw/zinc/89/32/35/1028893235.db2.gz GRSNZHUIMRJPGY-HNNXBMFYSA-N 1 0 319.336 3.576 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449681477 1028907659 /nfs/dbraw/zinc/90/76/59/1028907659.db2.gz LXXQWNBIWMHBAH-BXBOZWQASA-N 1 0 316.401 3.501 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000449733554 1028950838 /nfs/dbraw/zinc/95/08/38/1028950838.db2.gz PAZCCYOXVCWOOU-MRXNPFEDSA-N 1 0 306.431 3.622 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1(C2CC2)CCOCC1 ZINC000373320715 1029008830 /nfs/dbraw/zinc/00/88/30/1029008830.db2.gz VTRCZLRLKJEMHF-ZDUSSCGKSA-N 1 0 304.390 3.513 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000569973215 1029295462 /nfs/dbraw/zinc/29/54/62/1029295462.db2.gz AIZIGWPYFPKUKC-DZGCQCFKSA-N 1 0 307.438 3.674 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cccc(F)c1 ZINC000570864231 1029433470 /nfs/dbraw/zinc/43/34/70/1029433470.db2.gz SGBGRCQIHMQFSK-MRXNPFEDSA-N 1 0 300.333 3.554 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1F ZINC000374774949 1029458173 /nfs/dbraw/zinc/45/81/73/1029458173.db2.gz HHKMCOBAMRXPPY-LBPRGKRZSA-N 1 0 321.377 3.570 20 5 DHBDRO C[C@@H](CC1CCCCC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819266092 1029526817 /nfs/dbraw/zinc/52/68/17/1029526817.db2.gz DNFPDOGXSHLQLT-SUMWQHHRSA-N 1 0 306.406 3.577 20 5 DHBDRO CO[C@@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000530330871 1029819853 /nfs/dbraw/zinc/81/98/53/1029819853.db2.gz ICWIAAWUJWURFE-GWCFXTLKSA-N 1 0 320.311 3.521 20 5 DHBDRO COCCCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550861 1029912528 /nfs/dbraw/zinc/91/25/28/1029912528.db2.gz SQNOGYDBDISTJR-INIZCTEOSA-N 1 0 306.406 3.591 20 5 DHBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000163340911 1029930365 /nfs/dbraw/zinc/93/03/65/1029930365.db2.gz WKWGDIYRQFJIAH-WCQYABFASA-N 1 0 303.362 3.794 20 5 DHBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)C[N@@H+]1C1CC1 ZINC000865600422 1029933939 /nfs/dbraw/zinc/93/39/39/1029933939.db2.gz MSSCZHZOJOBLPH-UWVGGRQHSA-N 1 0 311.332 3.570 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCSC1 ZINC000865652399 1029962278 /nfs/dbraw/zinc/96/22/78/1029962278.db2.gz ZSRJKCTWEAGBHL-KADHNRKRSA-N 1 0 306.431 3.731 20 5 DHBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCOC1 ZINC000357347614 1030009670 /nfs/dbraw/zinc/00/96/70/1030009670.db2.gz VONYKOIUQSWQJC-QGZVFWFLSA-N 1 0 316.357 3.514 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c(Cl)c1 ZINC000865762093 1030011200 /nfs/dbraw/zinc/01/12/00/1030011200.db2.gz LGFROJWXDMLDDA-XJKSGUPXSA-N 1 0 324.808 3.543 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2cnc(C3CCC3)s2)cc1[N+](=O)[O-] ZINC000865787933 1030024954 /nfs/dbraw/zinc/02/49/54/1030024954.db2.gz WFJIQWZIZMJTRH-UHFFFAOYSA-N 1 0 317.414 3.917 20 5 DHBDRO C[N@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccccc1[N+](=O)[O-] ZINC000822570944 1030063823 /nfs/dbraw/zinc/06/38/23/1030063823.db2.gz SPZWHJBXPSKGJZ-NSHDSACASA-N 1 0 303.189 3.611 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)nc1 ZINC000866239866 1030173917 /nfs/dbraw/zinc/17/39/17/1030173917.db2.gz VVIOFWIFGALWPZ-SNVBAGLBSA-N 1 0 323.755 3.503 20 5 DHBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866288639 1030206656 /nfs/dbraw/zinc/20/66/56/1030206656.db2.gz JPVYJZVCGTVESG-CHWSQXEVSA-N 1 0 317.364 3.719 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCc2cccnc2)cc1[N+](=O)[O-] ZINC000866303800 1030214138 /nfs/dbraw/zinc/21/41/38/1030214138.db2.gz WHYNTCYHCJBDJO-GJZGRUSLSA-N 1 0 313.401 3.970 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)cn1 ZINC000866313783 1030221871 /nfs/dbraw/zinc/22/18/71/1030221871.db2.gz HPDATHGKIMRPAA-SNVBAGLBSA-N 1 0 323.755 3.503 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000823205716 1030229403 /nfs/dbraw/zinc/22/94/03/1030229403.db2.gz VOPNUZLCCDKORV-GXSJLCMTSA-N 1 0 303.189 3.829 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CC(F)(F)F ZINC000866339399 1030239001 /nfs/dbraw/zinc/23/90/01/1030239001.db2.gz BFZRDQNDEGMTTQ-IUCAKERBSA-N 1 0 308.275 3.595 20 5 DHBDRO CC[C@H](C)[NH2+][C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000557695950 1030249524 /nfs/dbraw/zinc/24/95/24/1030249524.db2.gz WZLDYXAPDXJPCO-AAEUAGOBSA-N 1 0 321.352 3.868 20 5 DHBDRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000866365377 1030260211 /nfs/dbraw/zinc/26/02/11/1030260211.db2.gz VWRFXVCQSPAIBB-KPZWWZAWSA-N 1 0 312.369 3.942 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCSC1 ZINC000866401826 1030281516 /nfs/dbraw/zinc/28/15/16/1030281516.db2.gz FQDUQUQZUMSHOY-KBPBESRZSA-N 1 0 308.447 3.649 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000866403094 1030282166 /nfs/dbraw/zinc/28/21/66/1030282166.db2.gz QPCGIFHXGCQMDK-CHWSQXEVSA-N 1 0 324.446 3.787 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000866403098 1030283371 /nfs/dbraw/zinc/28/33/71/1030283371.db2.gz QPCGIFHXGCQMDK-QWHCGFSZSA-N 1 0 324.446 3.787 20 5 DHBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866455209 1030304910 /nfs/dbraw/zinc/30/49/10/1030304910.db2.gz KBWQUJYSGBXNBP-UWVGGRQHSA-N 1 0 323.393 3.781 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](c2cccnc2)C2CCC2)cc1[N+](=O)[O-] ZINC000866540330 1030358516 /nfs/dbraw/zinc/35/85/16/1030358516.db2.gz LIWGTKDLHSHIGI-GOSISDBHSA-N 1 0 311.385 3.929 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCCNc3ccccc32)cc1[N+](=O)[O-] ZINC000866539553 1030359205 /nfs/dbraw/zinc/35/92/05/1030359205.db2.gz CUOHUOCPMQBGHL-KRWDZBQOSA-N 1 0 311.385 3.940 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000866540078 1030359706 /nfs/dbraw/zinc/35/97/06/1030359706.db2.gz VDSLIPVZEONZLV-CYBMUJFWSA-N 1 0 312.369 3.784 20 5 DHBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000358176266 1030360241 /nfs/dbraw/zinc/36/02/41/1030360241.db2.gz NHQDMCYGKXSNSF-GFCCVEGCSA-N 1 0 305.403 3.725 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000866539995 1030360181 /nfs/dbraw/zinc/36/01/81/1030360181.db2.gz IYPLEHCURPSDAZ-QGZVFWFLSA-N 1 0 312.369 3.776 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000866538840 1030360981 /nfs/dbraw/zinc/36/09/81/1030360981.db2.gz WKHGJRIJPPYVTD-QRTARXTBSA-N 1 0 318.417 3.617 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cnn1C(C)C ZINC000866541321 1030363389 /nfs/dbraw/zinc/36/33/89/1030363389.db2.gz YFCZRSOWVUFHML-ZDUSSCGKSA-N 1 0 316.405 3.840 20 5 DHBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000805840044 1030399129 /nfs/dbraw/zinc/39/91/29/1030399129.db2.gz WIRFSFKJFBBARA-FRFSOERESA-N 1 0 320.433 3.775 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](CC)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000358252610 1030403995 /nfs/dbraw/zinc/40/39/95/1030403995.db2.gz OCYXUWJAKRZNTB-YESZJQIVSA-N 1 0 306.406 3.983 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000358359150 1030454089 /nfs/dbraw/zinc/45/40/89/1030454089.db2.gz ARPHUUMIQARPOA-QGZVFWFLSA-N 1 0 312.369 3.641 20 5 DHBDRO COCc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000339076221 1030456533 /nfs/dbraw/zinc/45/65/33/1030456533.db2.gz YEAATPPEGNIANV-ZDUSSCGKSA-N 1 0 300.358 3.592 20 5 DHBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC000824462774 1030567763 /nfs/dbraw/zinc/56/77/63/1030567763.db2.gz LQBOSIAGKHDYIM-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccn1 ZINC000824589583 1030590376 /nfs/dbraw/zinc/59/03/76/1030590376.db2.gz HAPQQYQZQUHDPI-UHFFFAOYSA-N 1 0 319.792 3.711 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccc(F)nc3)C2)cc1 ZINC000824820613 1030649221 /nfs/dbraw/zinc/64/92/21/1030649221.db2.gz JFPITPJTIZCBGZ-HNNXBMFYSA-N 1 0 315.348 3.509 20 5 DHBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1(Cl)Cl ZINC000824971088 1030688593 /nfs/dbraw/zinc/68/85/93/1030688593.db2.gz OVJCLYWCFRVLPK-GFCCVEGCSA-N 1 0 321.179 3.798 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]CCC3CC3)o2)c([N+](=O)[O-])c1 ZINC000237425791 1030898848 /nfs/dbraw/zinc/89/88/48/1030898848.db2.gz WIYSECPUFGVURL-UHFFFAOYSA-N 1 0 316.357 3.753 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000237424250 1030900463 /nfs/dbraw/zinc/90/04/63/1030900463.db2.gz DNGXWZSRQFXHQV-UHFFFAOYSA-N 1 0 316.357 3.896 20 5 DHBDRO CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000122990483 1030935551 /nfs/dbraw/zinc/93/55/51/1030935551.db2.gz CNJZTPFLZWIEKM-UHFFFAOYSA-N 1 0 301.184 3.588 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)C1(Br)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926894361 1030972237 /nfs/dbraw/zinc/97/22/37/1030972237.db2.gz YINLQSCZNGOTFR-NXEZZACHSA-N 1 0 313.195 3.561 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000927124383 1031105440 /nfs/dbraw/zinc/10/54/40/1031105440.db2.gz KOXRMGLOTCJDAP-CJNGLKHVSA-N 1 0 316.401 3.664 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927161084 1031124398 /nfs/dbraw/zinc/12/43/98/1031124398.db2.gz OOHHMNITAFIBDA-CZUORRHYSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000927165189 1031126323 /nfs/dbraw/zinc/12/63/23/1031126323.db2.gz ZYSIXFYOAONXOA-XJKSGUPXSA-N 1 0 304.390 3.656 20 5 DHBDRO CC[C@H]([NH2+]CCN1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000359927190 1031202072 /nfs/dbraw/zinc/20/20/72/1031202072.db2.gz UPWRNUVFJUFGDL-PBHICJAKSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1F ZINC000536668984 1031379615 /nfs/dbraw/zinc/37/96/15/1031379615.db2.gz VSQGYEXKPRTXNS-UHFFFAOYSA-N 1 0 300.333 3.601 20 5 DHBDRO CCOc1ccccc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536668821 1031380494 /nfs/dbraw/zinc/38/04/94/1031380494.db2.gz CZPRDMGDIHEXFJ-UHFFFAOYSA-N 1 0 312.369 3.552 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000872027820 1031412996 /nfs/dbraw/zinc/41/29/96/1031412996.db2.gz MHCRYLNPBKGVKA-AAEUAGOBSA-N 1 0 310.419 3.536 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034979 1031419562 /nfs/dbraw/zinc/41/95/62/1031419562.db2.gz SUXKGMRBDMMZBI-VXGBXAGGSA-N 1 0 318.348 3.721 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000872041738 1031425811 /nfs/dbraw/zinc/42/58/11/1031425811.db2.gz KPYHMDNSBJAPBI-IAQYHMDHSA-N 1 0 310.419 3.536 20 5 DHBDRO C[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccncc1 ZINC000872041055 1031425716 /nfs/dbraw/zinc/42/57/16/1031425716.db2.gz PGSAFVYANADFJW-NWDGAFQWSA-N 1 0 303.337 3.583 20 5 DHBDRO CSC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040510 1031426099 /nfs/dbraw/zinc/42/60/99/1031426099.db2.gz ZPOFDUNBUZRQBQ-NXEZZACHSA-N 1 0 300.449 3.719 20 5 DHBDRO C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047136 1031433365 /nfs/dbraw/zinc/43/33/65/1031433365.db2.gz QMAWPYZPWIPNLF-GFCCVEGCSA-N 1 0 323.412 3.647 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000872053803 1031443209 /nfs/dbraw/zinc/44/32/09/1031443209.db2.gz NDVSCBAYUDLSNA-WOPDTQHZSA-N 1 0 310.419 3.535 20 5 DHBDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063705 1031458122 /nfs/dbraw/zinc/45/81/22/1031458122.db2.gz SENPGLLNJMRRHC-YMRXKLBXSA-N 1 0 322.380 3.590 20 5 DHBDRO CC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000536868936 1031463608 /nfs/dbraw/zinc/46/36/08/1031463608.db2.gz IZRFVTSTVDMYSD-GOSISDBHSA-N 1 0 320.433 3.712 20 5 DHBDRO C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069895 1031464215 /nfs/dbraw/zinc/46/42/15/1031464215.db2.gz RJLCCYRMTVBVRD-JHJVBQTASA-N 1 0 324.396 3.978 20 5 DHBDRO Cc1cccc(CCC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872069129 1031464536 /nfs/dbraw/zinc/46/45/36/1031464536.db2.gz LKLMSNRVEDNIHA-CYBMUJFWSA-N 1 0 317.364 3.721 20 5 DHBDRO CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872076880 1031474027 /nfs/dbraw/zinc/47/40/27/1031474027.db2.gz UTWYALJNLWPLGC-HEHGZKQESA-N 1 0 324.396 3.836 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000872078082 1031474273 /nfs/dbraw/zinc/47/42/73/1031474273.db2.gz OZEYFOJPTUOVTP-STQMWFEESA-N 1 0 324.446 3.784 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872080059 1031476901 /nfs/dbraw/zinc/47/69/01/1031476901.db2.gz SKIGOEITZGFNSC-GDLVEWKHSA-N 1 0 310.369 3.588 20 5 DHBDRO COCC1(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872082258 1031479606 /nfs/dbraw/zinc/47/96/06/1031479606.db2.gz SSGBZECHRCZQCV-LBPRGKRZSA-N 1 0 324.446 3.784 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000872086374 1031481409 /nfs/dbraw/zinc/48/14/09/1031481409.db2.gz WEKUHOGWEPXYHU-NEPJUHHUSA-N 1 0 303.337 3.583 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000872090261 1031485976 /nfs/dbraw/zinc/48/59/76/1031485976.db2.gz OVOPVHVZQFWTAW-ITDIGPHOSA-N 1 0 322.430 3.535 20 5 DHBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872096006 1031490522 /nfs/dbraw/zinc/49/05/22/1031490522.db2.gz XPBHFDHWRWRBBF-IJLUTSLNSA-N 1 0 312.435 3.517 20 5 DHBDRO COCC(C)(C)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000872107482 1031497774 /nfs/dbraw/zinc/49/77/74/1031497774.db2.gz YMZQUVYHANDRSM-AWEZNQCLSA-N 1 0 308.422 3.568 20 5 DHBDRO COCC(C)(C)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000872107483 1031498554 /nfs/dbraw/zinc/49/85/54/1031498554.db2.gz YMZQUVYHANDRSM-CQSZACIVSA-N 1 0 308.422 3.568 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872109273 1031500531 /nfs/dbraw/zinc/50/05/31/1031500531.db2.gz KDEYTGBDFMZMPH-HPZZRFSDSA-N 1 0 304.390 3.511 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000872135501 1031530364 /nfs/dbraw/zinc/53/03/64/1031530364.db2.gz HVGNJQVVGSHDOR-JEBQAFNWSA-N 1 0 314.385 3.758 20 5 DHBDRO COCC1(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000293646094 1031555319 /nfs/dbraw/zinc/55/53/19/1031555319.db2.gz HNRPJCFPENPMTJ-OAHLLOKOSA-N 1 0 320.433 3.712 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872276901 1031572539 /nfs/dbraw/zinc/57/25/39/1031572539.db2.gz UCFMFSKICSDRQA-INIZCTEOSA-N 1 0 322.380 3.658 20 5 DHBDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293823362 1031640882 /nfs/dbraw/zinc/64/08/82/1031640882.db2.gz SCLWPXJIMZTOPB-SGTLLEGYSA-N 1 0 311.385 3.979 20 5 DHBDRO COc1cc(NCCCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000360972734 1031652333 /nfs/dbraw/zinc/65/23/33/1031652333.db2.gz CRQDFVFOQJOKFA-AWEZNQCLSA-N 1 0 321.421 3.527 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000873102907 1031713360 /nfs/dbraw/zinc/71/33/60/1031713360.db2.gz BWKDHBATRQLWIU-SNVBAGLBSA-N 1 0 305.403 3.561 20 5 DHBDRO COc1c(C)cccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873132723 1031719918 /nfs/dbraw/zinc/71/99/18/1031719918.db2.gz DDQCBWCCNXCGHD-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO Cc1c(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)cccc1[N+](=O)[O-] ZINC000873133751 1031720306 /nfs/dbraw/zinc/72/03/06/1031720306.db2.gz JTVJRIXGPHXHSY-ZIAGYGMSSA-N 1 0 300.761 3.698 20 5 DHBDRO C[C@@H](NCc1coc(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000930208948 1031737007 /nfs/dbraw/zinc/73/70/07/1031737007.db2.gz YEDBLJCMDFTSOO-LLVKDONJSA-N 1 0 303.362 3.731 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000361157709 1031761671 /nfs/dbraw/zinc/76/16/71/1031761671.db2.gz XYFPXMSWEHPSLV-GOSISDBHSA-N 1 0 314.385 3.887 20 5 DHBDRO O[C@@]1(CC[NH2+]Cc2c3ccccc3cc3ccccc32)CCOC1 ZINC000846045987 1031838205 /nfs/dbraw/zinc/83/82/05/1031838205.db2.gz AOEASGMDAPTCSL-NRFANRHFSA-N 1 0 321.420 3.624 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccnc1C ZINC000898253951 1032004511 /nfs/dbraw/zinc/00/45/11/1032004511.db2.gz ZJRCFPSZRLJTAC-KAMYIIQDSA-N 1 0 311.385 3.534 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2ccccc2)C2CC2)cc1 ZINC000539218253 1033300969 /nfs/dbraw/zinc/30/09/69/1033300969.db2.gz UVXQOKSVZNOZGJ-SFHVURJKSA-N 1 0 312.369 3.715 20 5 DHBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCCC34CCCC4)C2)c1 ZINC000877544461 1033348705 /nfs/dbraw/zinc/34/87/05/1033348705.db2.gz PXYNFXRFZMMGRU-XUJLQICISA-N 1 0 318.421 3.587 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172898900 1033435878 /nfs/dbraw/zinc/43/58/78/1033435878.db2.gz QGTIQEJDFZTATI-GOSISDBHSA-N 1 0 310.397 3.940 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@@H]3CCC[C@@H]3C1)CC2 ZINC001172903913 1033436870 /nfs/dbraw/zinc/43/68/70/1033436870.db2.gz JLVLFRDRWXXMHU-IXDOHACOSA-N 1 0 300.402 3.574 20 5 DHBDRO CC1(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC(F)(F)C1 ZINC001172902385 1033438229 /nfs/dbraw/zinc/43/82/29/1033438229.db2.gz XVJBBDHCTMMNSG-CQSZACIVSA-N 1 0 324.371 3.867 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H]3CCCC[C@@H]3C1)CC2 ZINC001172908738 1033440746 /nfs/dbraw/zinc/44/07/46/1033440746.db2.gz NDOBHGNAYSJWSW-FGTMMUONSA-N 1 0 314.429 3.964 20 5 DHBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000877779142 1033446331 /nfs/dbraw/zinc/44/63/31/1033446331.db2.gz ZKOONCWRTISTJK-KWQFWETISA-N 1 0 321.204 3.541 20 5 DHBDRO CC1(C)CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172914229 1033464965 /nfs/dbraw/zinc/46/49/65/1033464965.db2.gz FGEVQKYJTOTJJK-MRXNPFEDSA-N 1 0 302.418 3.964 20 5 DHBDRO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001172909719 1033482483 /nfs/dbraw/zinc/48/24/83/1033482483.db2.gz VFHYIQSCOHAMFA-IUODEOHRSA-N 1 0 324.371 3.819 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000151825722 1033485226 /nfs/dbraw/zinc/48/52/26/1033485226.db2.gz ZXZQDGQDCCVXCI-NSHDSACASA-N 1 0 320.311 3.523 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2)cc1[N+](=O)[O-] ZINC000152560553 1033528107 /nfs/dbraw/zinc/52/81/07/1033528107.db2.gz ZUXYKGSAKDYJRT-CYBMUJFWSA-N 1 0 300.358 3.844 20 5 DHBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000553007613 1033578144 /nfs/dbraw/zinc/57/81/44/1033578144.db2.gz FPWYPRPYOVORFB-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC23CCCC3)c1F ZINC001173184275 1033584706 /nfs/dbraw/zinc/58/47/06/1033584706.db2.gz PKQHVAWKYYNINB-ABAIWWIYSA-N 1 0 322.380 3.596 20 5 DHBDRO Cc1ccc(F)c(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001173215351 1033597352 /nfs/dbraw/zinc/59/73/52/1033597352.db2.gz VHRVFTYBFTVHND-GFCCVEGCSA-N 1 0 320.339 3.902 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(Cl)c1 ZINC001173216145 1033597402 /nfs/dbraw/zinc/59/74/02/1033597402.db2.gz KSCGRGWHJBOMIM-LBPRGKRZSA-N 1 0 304.777 3.969 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccc(F)cc1 ZINC001173217950 1033598245 /nfs/dbraw/zinc/59/82/45/1033598245.db2.gz NQVABXQFNIXAAR-CQSZACIVSA-N 1 0 316.376 3.887 20 5 DHBDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215560 1033598601 /nfs/dbraw/zinc/59/86/01/1033598601.db2.gz WSMCDYDOJUQLPC-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2cccc(C[NH3+])c21 ZINC001173219561 1033599909 /nfs/dbraw/zinc/59/99/09/1033599909.db2.gz DHTLOTPBWMRGNQ-ZDUSSCGKSA-N 1 0 309.369 3.812 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2cccnc21 ZINC001173219149 1033600554 /nfs/dbraw/zinc/60/05/54/1033600554.db2.gz XOWBKVKWJVUKCX-DYVFJYSZSA-N 1 0 311.385 3.588 20 5 DHBDRO CC(C)c1ncc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001173221648 1033602773 /nfs/dbraw/zinc/60/27/73/1033602773.db2.gz OJMKLCTWYKVQAR-GFCCVEGCSA-N 1 0 319.430 3.896 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1cccs1 ZINC001173224987 1033603397 /nfs/dbraw/zinc/60/33/97/1033603397.db2.gz AIBGPFBMRHYORB-ZDUSSCGKSA-N 1 0 304.415 3.762 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001173226619 1033605972 /nfs/dbraw/zinc/60/59/72/1033605972.db2.gz MWOPDRQJOKNQIQ-KDOFPFPSSA-N 1 0 311.385 3.758 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCc1ccccn1 ZINC001173234142 1033609390 /nfs/dbraw/zinc/60/93/90/1033609390.db2.gz NRRTVIYMYFJXSG-OAHLLOKOSA-N 1 0 313.401 3.533 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(C)c2ccccc12 ZINC001173209581 1033611940 /nfs/dbraw/zinc/61/19/40/1033611940.db2.gz DETOPSJCBPUKJE-CQSZACIVSA-N 1 0 323.396 3.807 20 5 DHBDRO Cc1csc([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173212585 1033614031 /nfs/dbraw/zinc/61/40/31/1033614031.db2.gz BEOQZDUAHJDZAU-JQWIXIFHSA-N 1 0 305.403 3.642 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cnc2ccccn21 ZINC001173211912 1033614512 /nfs/dbraw/zinc/61/45/12/1033614512.db2.gz VIHPNRAWNWSDOG-ZIAGYGMSSA-N 1 0 324.384 3.524 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2ncccc12 ZINC001173214709 1033616836 /nfs/dbraw/zinc/61/68/36/1033616836.db2.gz FFKJVOBHDRSVDJ-AWEZNQCLSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@H](Nc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000553184240 1033623083 /nfs/dbraw/zinc/62/30/83/1033623083.db2.gz ADWKBELWAFWDBU-QWHCGFSZSA-N 1 0 321.396 3.799 20 5 DHBDRO CC[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000878371614 1033679333 /nfs/dbraw/zinc/67/93/33/1033679333.db2.gz YLTQUUKEKXQWRP-CVEARBPZSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000927127873 1033986738 /nfs/dbraw/zinc/98/67/38/1033986738.db2.gz KOMIZLSHEQBTBK-BBRMVZONSA-N 1 0 304.390 3.737 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc(F)c1)C1CC1 ZINC000480237902 1034147762 /nfs/dbraw/zinc/14/77/62/1034147762.db2.gz BVDZYAXFEQMTFM-QGZVFWFLSA-N 1 0 314.360 3.845 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000178530304 1034246719 /nfs/dbraw/zinc/24/67/19/1034246719.db2.gz OZSFLAKUZLREHZ-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000179156090 1034287252 /nfs/dbraw/zinc/28/72/52/1034287252.db2.gz JAZHDTFSLRNQTF-UHFFFAOYSA-N 1 0 301.346 3.624 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880313433 1034293445 /nfs/dbraw/zinc/29/34/45/1034293445.db2.gz AOTWRBKIPQUURG-YPMHNXCESA-N 1 0 303.387 3.602 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CCCCO2)CC1 ZINC000880456765 1034335294 /nfs/dbraw/zinc/33/52/94/1034335294.db2.gz VEFLHXSQHZKSTC-HNNXBMFYSA-N 1 0 318.417 3.999 20 5 DHBDRO C[C@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480604624 1034345624 /nfs/dbraw/zinc/34/56/24/1034345624.db2.gz YXNJAZOZIUIHLF-XHSDSOJGSA-N 1 0 319.449 3.613 20 5 DHBDRO C[C@@H](C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183256090 1034368430 /nfs/dbraw/zinc/36/84/30/1034368430.db2.gz CLGXYRZNAVMVEP-IYNGYCSASA-N 1 0 317.414 3.800 20 5 DHBDRO C[C@H](c1cccc(F)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554848574 1034372240 /nfs/dbraw/zinc/37/22/40/1034372240.db2.gz NQDQWDDHXVBSGR-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000183701248 1034414419 /nfs/dbraw/zinc/41/44/19/1034414419.db2.gz ZPXQWFDKMCCGLT-GFCCVEGCSA-N 1 0 305.403 3.595 20 5 DHBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000184268887 1034458735 /nfs/dbraw/zinc/45/87/35/1034458735.db2.gz VNSKJRGBUHCKSE-JLCFBVMHSA-N 1 0 311.450 3.850 20 5 DHBDRO Cc1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)n(C)n1 ZINC001174824333 1034622275 /nfs/dbraw/zinc/62/22/75/1034622275.db2.gz NKSIMNRISKYCFF-UHFFFAOYSA-N 1 0 303.369 3.756 20 5 DHBDRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000186770856 1034660147 /nfs/dbraw/zinc/66/01/47/1034660147.db2.gz AWHFVGCAFXGSHC-JQWIXIFHSA-N 1 0 305.403 3.814 20 5 DHBDRO COc1ccc(F)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000187588583 1034717304 /nfs/dbraw/zinc/71/73/04/1034717304.db2.gz XNADRSPYZRMUCU-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CC[C@@H]1CCCC[C@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000600155148 1034775720 /nfs/dbraw/zinc/77/57/20/1034775720.db2.gz DDWVMXACVDHIGU-CABCVRRESA-N 1 0 320.437 3.645 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(Cc2ccco2)C1 ZINC000600197668 1034803491 /nfs/dbraw/zinc/80/34/91/1034803491.db2.gz OSTCAFYDPHCVRI-ZSOIEALJSA-N 1 0 312.369 3.766 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000600213444 1034810146 /nfs/dbraw/zinc/81/01/46/1034810146.db2.gz FSTCMECIOWSGJD-IVZVJUQRSA-N 1 0 324.380 3.803 20 5 DHBDRO CC(C)(NCc1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000555660196 1034854941 /nfs/dbraw/zinc/85/49/41/1034854941.db2.gz WFDKNVMPCCVHDC-UHFFFAOYSA-N 1 0 305.765 3.668 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000555794056 1034903718 /nfs/dbraw/zinc/90/37/18/1034903718.db2.gz QVVJIILTNXTOCL-WMLDXEAASA-N 1 0 306.406 3.711 20 5 DHBDRO CC(C)[N@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1F ZINC000159906274 1035108669 /nfs/dbraw/zinc/10/86/69/1035108669.db2.gz LWQSGOCOSSCOAF-UHFFFAOYSA-N 1 0 323.393 3.644 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000483108411 1035227417 /nfs/dbraw/zinc/22/74/17/1035227417.db2.gz YPNJHWDDRSIECE-INIZCTEOSA-N 1 0 314.360 3.766 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000483108412 1035227621 /nfs/dbraw/zinc/22/76/21/1035227621.db2.gz YPNJHWDDRSIECE-MRXNPFEDSA-N 1 0 314.360 3.766 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000483109281 1035228795 /nfs/dbraw/zinc/22/87/95/1035228795.db2.gz LOSSHSZYSOJUIR-GFCCVEGCSA-N 1 0 310.369 3.753 20 5 DHBDRO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000483422675 1035268269 /nfs/dbraw/zinc/26/82/69/1035268269.db2.gz YBFHSKZARULJME-OZLAXVTRSA-N 1 0 318.417 3.745 20 5 DHBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)cc([N+](=O)[O-])c1 ZINC000903167972 1035288736 /nfs/dbraw/zinc/28/87/36/1035288736.db2.gz REIZKYMIZIVRPM-GHMZBOCLSA-N 1 0 314.332 3.689 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC000484026274 1035313898 /nfs/dbraw/zinc/31/38/98/1035313898.db2.gz YTZUFSUGHDRMTI-UHFFFAOYSA-N 1 0 316.788 3.849 20 5 DHBDRO Cc1c(C[NH2+]C[C@@H](c2cccnc2)C(C)C)cccc1[N+](=O)[O-] ZINC001177942853 1035401535 /nfs/dbraw/zinc/40/15/35/1035401535.db2.gz HSBAMUUFLOJVDD-QGZVFWFLSA-N 1 0 313.401 3.828 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000924798329 1035410376 /nfs/dbraw/zinc/41/03/76/1035410376.db2.gz MJZCLLDGAQDOMV-RYUDHWBXSA-N 1 0 314.341 3.735 20 5 DHBDRO Cc1cc(Cl)ccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001178610053 1035439887 /nfs/dbraw/zinc/43/98/87/1035439887.db2.gz NVEQSPNEAMRXGO-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO CO[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001179243525 1035471246 /nfs/dbraw/zinc/47/12/46/1035471246.db2.gz QDGADGJZAZDFGG-MDNBWPLSSA-N 1 0 318.417 3.793 20 5 DHBDRO C[N@H+](CCCc1ccccc1)CCOc1ccccc1[N+](=O)[O-] ZINC000535330847 1035573003 /nfs/dbraw/zinc/57/30/03/1035573003.db2.gz YPTLZNRTJJYNTA-UHFFFAOYSA-N 1 0 314.385 3.538 20 5 DHBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1C ZINC001193413516 1035632806 /nfs/dbraw/zinc/63/28/06/1035632806.db2.gz OBXDTOQRCIHZPM-WMLDXEAASA-N 1 0 306.406 3.874 20 5 DHBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCC1(F)F ZINC001193742444 1035714694 /nfs/dbraw/zinc/71/46/94/1035714694.db2.gz BTPJUMZERXVRRE-AWEZNQCLSA-N 1 0 312.360 3.895 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC001180688584 1035745001 /nfs/dbraw/zinc/74/50/01/1035745001.db2.gz YVZMUYCUQVTGBA-SECBINFHSA-N 1 0 311.794 3.598 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000485707589 1035883044 /nfs/dbraw/zinc/88/30/44/1035883044.db2.gz KKLBEQVHBKYBSK-CABCVRRESA-N 1 0 304.390 3.758 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCc1ccco1)CCC2 ZINC000595094017 1035925724 /nfs/dbraw/zinc/92/57/24/1035925724.db2.gz RYDXAJSWMIGDRF-QGZVFWFLSA-N 1 0 300.358 3.788 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000485741571 1035929035 /nfs/dbraw/zinc/92/90/35/1035929035.db2.gz CQNHWZRLTZZNGI-LLVKDONJSA-N 1 0 306.387 3.858 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000485748448 1035938917 /nfs/dbraw/zinc/93/89/17/1035938917.db2.gz XDLPWHMJYLIFAE-INIZCTEOSA-N 1 0 312.369 3.941 20 5 DHBDRO COC[C@@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC001194478415 1035943451 /nfs/dbraw/zinc/94/34/51/1035943451.db2.gz VEUNVNARSUSKII-IAGOWNOFSA-N 1 0 320.433 3.693 20 5 DHBDRO COc1cc(C[N@H+](C)CCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000485792252 1035957709 /nfs/dbraw/zinc/95/77/09/1035957709.db2.gz NCHQVUSHHJRPEY-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540220541 1036017466 /nfs/dbraw/zinc/01/74/66/1036017466.db2.gz QDQNGCQZWZQZKA-JSGCOSHPSA-N 1 0 320.414 3.657 20 5 DHBDRO CCC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000090084274 1036222291 /nfs/dbraw/zinc/22/22/91/1036222291.db2.gz SSCRAIYJBXKCCM-BBRMVZONSA-N 1 0 308.422 3.823 20 5 DHBDRO Cc1c(C[NH+]2CCC(c3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000595616817 1036266819 /nfs/dbraw/zinc/26/68/19/1036266819.db2.gz DDJIJAPWWOFOFP-UHFFFAOYSA-N 1 0 300.358 3.876 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000774516722 1036391485 /nfs/dbraw/zinc/39/14/85/1036391485.db2.gz BDZCBYZZKYZZKV-ZOBUZTSGSA-N 1 0 317.433 3.745 20 5 DHBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001196124651 1036458632 /nfs/dbraw/zinc/45/86/32/1036458632.db2.gz NRXGUJRBPHNGNO-JKSUJKDBSA-N 1 0 318.417 3.811 20 5 DHBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001196124649 1036459226 /nfs/dbraw/zinc/45/92/26/1036459226.db2.gz NRXGUJRBPHNGNO-HOTGVXAUSA-N 1 0 318.417 3.811 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCc1ccsc1)CC2 ZINC000542104256 1036508697 /nfs/dbraw/zinc/50/86/97/1036508697.db2.gz CZUWHKBJYPKSSX-UHFFFAOYSA-N 1 0 302.399 3.647 20 5 DHBDRO COc1ccccc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000271748061 1036511176 /nfs/dbraw/zinc/51/11/76/1036511176.db2.gz XZYKXPVHHSQWOS-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1ccc(OCC[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000487546553 1036669217 /nfs/dbraw/zinc/66/92/17/1036669217.db2.gz DBEGYPLWJZNXSF-OAHLLOKOSA-N 1 0 314.385 3.975 20 5 DHBDRO CC[C@@H](C[N@H+](CC)Cn1cc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000774701466 1036715311 /nfs/dbraw/zinc/71/53/11/1036715311.db2.gz JDQRCXSVRABTNR-HNNXBMFYSA-N 1 0 316.405 3.573 20 5 DHBDRO CCOc1cc(C[N@H+](C)Cc2ccccc2C)ccc1[N+](=O)[O-] ZINC000492357576 1036846613 /nfs/dbraw/zinc/84/66/13/1036846613.db2.gz OEESHIIKTWDEGA-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCC[C@@H]1C ZINC000487967900 1036885181 /nfs/dbraw/zinc/88/51/81/1036885181.db2.gz CAWMKWPJMPMOCK-XJKSGUPXSA-N 1 0 306.406 3.540 20 5 DHBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000272036016 1036901902 /nfs/dbraw/zinc/90/19/02/1036901902.db2.gz VETIGQIWFYLOKX-FKQXODTLSA-N 1 0 318.417 3.791 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000130203091 1036906911 /nfs/dbraw/zinc/90/69/11/1036906911.db2.gz OWNOIINWZXRUME-CSFVBSKPSA-N 1 0 316.401 3.511 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000443965532 1036936609 /nfs/dbraw/zinc/93/66/09/1036936609.db2.gz AVHRGOQMEYAQKS-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO CCOc1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000492631541 1036950272 /nfs/dbraw/zinc/95/02/72/1036950272.db2.gz PYPXGZOSNCPYLH-GJZGRUSLSA-N 1 0 304.390 3.616 20 5 DHBDRO Cc1cccc(C)c1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC001198194506 1036975271 /nfs/dbraw/zinc/97/52/71/1036975271.db2.gz FPDXXISABRSMFF-UHFFFAOYSA-N 1 0 314.385 3.722 20 5 DHBDRO Cc1ccc(N(C)CC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001185046506 1037015748 /nfs/dbraw/zinc/01/57/48/1037015748.db2.gz NWEWBIDDRTWSEU-UHFFFAOYSA-N 1 0 305.422 3.604 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cccc3ccccc32)cc1 ZINC000324438413 1037026624 /nfs/dbraw/zinc/02/66/24/1037026624.db2.gz RXJHDWQIHMBOMY-UHFFFAOYSA-N 1 0 322.364 3.917 20 5 DHBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774831941 1037046049 /nfs/dbraw/zinc/04/60/49/1037046049.db2.gz FZVDHJKLLCUIEB-CYBMUJFWSA-N 1 0 307.350 3.514 20 5 DHBDRO CCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774871188 1037130702 /nfs/dbraw/zinc/13/07/02/1037130702.db2.gz WHPHXEDGFHJLBA-UHFFFAOYSA-N 1 0 307.350 3.515 20 5 DHBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774906720 1037199586 /nfs/dbraw/zinc/19/95/86/1037199586.db2.gz YEAXUJGGECHDKG-VXGBXAGGSA-N 1 0 307.350 3.514 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000597224010 1037244500 /nfs/dbraw/zinc/24/45/00/1037244500.db2.gz ARRNSUAXFAXBFG-FUHWJXTLSA-N 1 0 318.417 3.684 20 5 DHBDRO COc1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000489145979 1037277669 /nfs/dbraw/zinc/27/76/69/1037277669.db2.gz DSOWSCKMTKTZEH-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO C[C@H](Nc1ccsc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001186071114 1037300948 /nfs/dbraw/zinc/30/09/48/1037300948.db2.gz VMWJDWNEVSMWRH-NWDGAFQWSA-N 1 0 309.435 3.721 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000193902093 1037307776 /nfs/dbraw/zinc/30/77/76/1037307776.db2.gz IWQHTUBIJORAFM-CHWSQXEVSA-N 1 0 312.369 3.942 20 5 DHBDRO CCO[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000194461618 1037503816 /nfs/dbraw/zinc/50/38/16/1037503816.db2.gz DYWUJJQJSJFOGX-CQSZACIVSA-N 1 0 306.387 3.524 20 5 DHBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000493898672 1037593920 /nfs/dbraw/zinc/59/39/20/1037593920.db2.gz XZJAPAKVLYIHPO-KDOFPFPSSA-N 1 0 314.385 3.503 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(C2CC2)CC1)C1CC1 ZINC000090772754 1037595440 /nfs/dbraw/zinc/59/54/40/1037595440.db2.gz WIMUMZROPBOHLL-INIZCTEOSA-N 1 0 300.402 3.696 20 5 DHBDRO COc1cc(C[N@@H+]2CCC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC000490091284 1037613221 /nfs/dbraw/zinc/61/32/21/1037613221.db2.gz WOWHZDRVLUSZFT-UHFFFAOYSA-N 1 0 304.390 3.760 20 5 DHBDRO CCOc1cc(NC2CCC(C)([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001187370718 1037623001 /nfs/dbraw/zinc/62/30/01/1037623001.db2.gz AYAMQDNQOVAWOC-UHFFFAOYSA-N 1 0 321.421 3.668 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCSC2)c2ccccc2)c1 ZINC000494036207 1037624328 /nfs/dbraw/zinc/62/43/28/1037624328.db2.gz BPQMZMVPAKYBCO-NVXWUHKLSA-N 1 0 314.410 3.779 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000494137764 1037651536 /nfs/dbraw/zinc/65/15/36/1037651536.db2.gz UCUFPOTZAXICNN-ZDUSSCGKSA-N 1 0 324.446 3.709 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccsc1 ZINC000029622866 1037833403 /nfs/dbraw/zinc/83/34/03/1037833403.db2.gz GPWTWEOCGBFFRG-CQSZACIVSA-N 1 0 320.418 3.546 20 5 DHBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCCO1 ZINC000491079263 1037896884 /nfs/dbraw/zinc/89/68/84/1037896884.db2.gz SJYOIOYJGIQSTJ-OAHLLOKOSA-N 1 0 310.369 3.515 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC2(CCC2)[C@@H]1C1CC1 ZINC000570983713 1038063970 /nfs/dbraw/zinc/06/39/70/1038063970.db2.gz PAQAVJHPJODWLG-KRWDZBQOSA-N 1 0 316.401 3.758 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C/C=C\c1ccc(F)cc1 ZINC001202226650 1038116657 /nfs/dbraw/zinc/11/66/57/1038116657.db2.gz DWFQCQGCBIGMQP-ARJAWSKDSA-N 1 0 300.333 3.579 20 5 DHBDRO C[N@H+](CCCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917053705 1038133383 /nfs/dbraw/zinc/13/33/83/1038133383.db2.gz APFBBTXMJVAMRM-UHFFFAOYSA-N 1 0 302.349 3.799 20 5 DHBDRO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](CC)c1ccccc1 ZINC001190582075 1038350024 /nfs/dbraw/zinc/35/00/24/1038350024.db2.gz OIJWXVREOSOORV-MRXNPFEDSA-N 1 0 316.405 3.692 20 5 DHBDRO C[C@H](CC1CCC1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959552 1038410713 /nfs/dbraw/zinc/41/07/13/1038410713.db2.gz GMGZPTDJLIWGBX-GFCCVEGCSA-N 1 0 301.390 3.787 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCCC13CCOCC3)C2 ZINC001191350306 1038487417 /nfs/dbraw/zinc/48/74/17/1038487417.db2.gz JKQOXWOOMQHUGH-MRXNPFEDSA-N 1 0 316.401 3.507 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c(F)c1 ZINC000590194565 1038602641 /nfs/dbraw/zinc/60/26/41/1038602641.db2.gz FLPOIPDNJNVLPP-HOCLYGCPSA-N 1 0 300.333 3.627 20 5 DHBDRO Cc1ncsc1CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001192673647 1038690527 /nfs/dbraw/zinc/69/05/27/1038690527.db2.gz PSDUMELCIYRCMO-LLVKDONJSA-N 1 0 305.403 3.643 20 5 DHBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000057621042 1038691926 /nfs/dbraw/zinc/69/19/26/1038691926.db2.gz IXJABCJJCCIJEV-UHFFFAOYSA-N 1 0 300.333 3.899 20 5 DHBDRO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757330 1038699447 /nfs/dbraw/zinc/69/94/47/1038699447.db2.gz PXFPTEAHWGEMIS-WMLDXEAASA-N 1 0 311.385 3.930 20 5 DHBDRO C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000590780107 1038704466 /nfs/dbraw/zinc/70/44/66/1038704466.db2.gz HGNJQGIEJNEJLG-PWQPVHBWSA-N 1 0 314.332 3.796 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC1(F)F)CCCC2 ZINC000598679003 1038822223 /nfs/dbraw/zinc/82/22/23/1038822223.db2.gz CKBCMRJBZQACRU-SWLSCSKDSA-N 1 0 310.344 3.997 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cs1 ZINC000598989912 1038968119 /nfs/dbraw/zinc/96/81/19/1038968119.db2.gz VNSOJJCJOXAHKB-NWANDNLSSA-N 1 0 320.801 3.738 20 5 DHBDRO CC[NH+](CC)CCCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599031437 1038994197 /nfs/dbraw/zinc/99/41/97/1038994197.db2.gz RDZGOOROYIVNLB-UHFFFAOYSA-N 1 0 316.405 3.677 20 5 DHBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000593694248 1039079675 /nfs/dbraw/zinc/07/96/75/1039079675.db2.gz LHGZSEQDIMMEFE-LBPRGKRZSA-N 1 0 320.414 3.526 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593715507 1039102971 /nfs/dbraw/zinc/10/29/71/1039102971.db2.gz JLUVXRGULYQHFM-ROUUACIJSA-N 1 0 318.417 3.841 20 5 DHBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000592144791 1039138995 /nfs/dbraw/zinc/13/89/95/1039138995.db2.gz IVVRZKUHLBLNBC-CYBMUJFWSA-N 1 0 321.421 3.598 20 5 DHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000603860462 1039194506 /nfs/dbraw/zinc/19/45/06/1039194506.db2.gz BADZJUSZRNQMMK-ZIAGYGMSSA-N 1 0 323.412 3.904 20 5 DHBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000603859745 1039194920 /nfs/dbraw/zinc/19/49/20/1039194920.db2.gz OYMYCJWOCHWAOQ-ZDUSSCGKSA-N 1 0 309.385 3.658 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000603859669 1039194976 /nfs/dbraw/zinc/19/49/76/1039194976.db2.gz QOHSVNPFYYXICG-BETUJISGSA-N 1 0 309.385 3.514 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000599551899 1039209710 /nfs/dbraw/zinc/20/97/10/1039209710.db2.gz CFLAZDXWLIERKO-UHFFFAOYSA-N 1 0 314.332 3.615 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ccccn2)C2CCC2)cc1 ZINC000599573368 1039217685 /nfs/dbraw/zinc/21/76/85/1039217685.db2.gz FWSWYTLJTUVUEJ-SFHVURJKSA-N 1 0 311.385 3.663 20 5 DHBDRO COc1ccc(C(C)(C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1F ZINC000599597528 1039226135 /nfs/dbraw/zinc/22/61/35/1039226135.db2.gz HHMJZIYLUNDUKM-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000574128268 1039413197 /nfs/dbraw/zinc/41/31/97/1039413197.db2.gz PWORGKVDQPSZPP-GHMZBOCLSA-N 1 0 309.797 3.594 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000592401581 1039461213 /nfs/dbraw/zinc/46/12/13/1039461213.db2.gz YVNUQCQCPXDLHU-CYUUQNCZSA-N 1 0 304.390 3.833 20 5 DHBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230143981 1039722455 /nfs/dbraw/zinc/72/24/55/1039722455.db2.gz CXRCDNRNXTYDKA-CMPLNLGQSA-N 1 0 300.811 3.622 20 5 DHBDRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000157947791 1039742149 /nfs/dbraw/zinc/74/21/49/1039742149.db2.gz CPBWTEMXCSWXKY-NSHDSACASA-N 1 0 319.430 3.870 20 5 DHBDRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594489971 1039792440 /nfs/dbraw/zinc/79/24/40/1039792440.db2.gz IITRKPDVHWCYPI-WBMJQRKESA-N 1 0 312.369 3.942 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000594510451 1039812564 /nfs/dbraw/zinc/81/25/64/1039812564.db2.gz AANMDFWUHZUABK-QWHCGFSZSA-N 1 0 322.405 3.532 20 5 DHBDRO Cc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000594523040 1039827823 /nfs/dbraw/zinc/82/78/23/1039827823.db2.gz VURADSDUTUTEDP-UHFFFAOYSA-N 1 0 319.792 3.592 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000594521253 1039828642 /nfs/dbraw/zinc/82/86/42/1039828642.db2.gz SXWCHGMMVMEGJG-JCGIZDLHSA-N 1 0 317.433 3.571 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000594523883 1039830961 /nfs/dbraw/zinc/83/09/61/1039830961.db2.gz UPXZNRBFZJQLFD-YERXGYGTSA-N 1 0 316.401 3.689 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000594521252 1039831500 /nfs/dbraw/zinc/83/15/00/1039831500.db2.gz SXWCHGMMVMEGJG-BMGDILEWSA-N 1 0 317.433 3.571 20 5 DHBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC000594978852 1039952404 /nfs/dbraw/zinc/95/24/04/1039952404.db2.gz XQGBGKYNDNAIGC-GFCCVEGCSA-N 1 0 304.724 3.773 20 5 DHBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000059371394 1039956136 /nfs/dbraw/zinc/95/61/36/1039956136.db2.gz WACIPWGESQXCRD-CYBMUJFWSA-N 1 0 318.348 3.806 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000594957908 1039962748 /nfs/dbraw/zinc/96/27/48/1039962748.db2.gz WTOLUYWZKJSSOY-RKCSUWQLSA-N 1 0 318.417 3.793 20 5 DHBDRO Cc1cc(F)ccc1C[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594957854 1039963105 /nfs/dbraw/zinc/96/31/05/1039963105.db2.gz VNGVTXUSHRKAPA-NSHDSACASA-N 1 0 308.378 3.825 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CO1 ZINC000594967712 1039971718 /nfs/dbraw/zinc/97/17/18/1039971718.db2.gz UWZGDFMCQUDWHF-CYBMUJFWSA-N 1 0 316.357 3.512 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000595013101 1039974244 /nfs/dbraw/zinc/97/42/44/1039974244.db2.gz QPPBBSXSDHBCOC-GXTWGEPZSA-N 1 0 312.369 3.594 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595056868 1040022087 /nfs/dbraw/zinc/02/20/87/1040022087.db2.gz RYQZHCXMVXOPJX-BBRMVZONSA-N 1 0 306.406 3.759 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(C)cs1 ZINC000595042230 1040045162 /nfs/dbraw/zinc/04/51/62/1040045162.db2.gz RFMOKMAHWJHEBJ-NSHDSACASA-N 1 0 306.387 3.824 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1SC ZINC000595047015 1040052394 /nfs/dbraw/zinc/05/23/94/1040052394.db2.gz QCEDMSQPCUHDKU-DJSGYFEHSA-N 1 0 324.446 3.928 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000595051923 1040053342 /nfs/dbraw/zinc/05/33/42/1040053342.db2.gz XHWOETDNCKTBFA-XJKSGUPXSA-N 1 0 304.390 3.519 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595108509 1040069386 /nfs/dbraw/zinc/06/93/86/1040069386.db2.gz QUSYFISCOYXQQJ-ZBFHGGJFSA-N 1 0 306.406 3.841 20 5 DHBDRO CC(C)(C)OCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595075895 1040070548 /nfs/dbraw/zinc/07/05/48/1040070548.db2.gz DKJQRPYHIVWPGN-INIZCTEOSA-N 1 0 320.433 3.711 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCCc2ccco2)cc1[N+](=O)[O-] ZINC000595093693 1040078458 /nfs/dbraw/zinc/07/84/58/1040078458.db2.gz NDMFPIBPUYTENJ-ZDUSSCGKSA-N 1 0 318.373 3.870 20 5 DHBDRO CC1(C)[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1(F)F ZINC000595093195 1040078614 /nfs/dbraw/zinc/07/86/14/1040078614.db2.gz NYOTZHXARSINLF-ZFWWWQNUSA-N 1 0 324.371 3.797 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000595296824 1040091558 /nfs/dbraw/zinc/09/15/58/1040091558.db2.gz LJJZLKMCIOVZNR-CQSZACIVSA-N 1 0 300.333 3.723 20 5 DHBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595328611 1040100160 /nfs/dbraw/zinc/10/01/60/1040100160.db2.gz WOZAEHJDJIQOOQ-HNNXBMFYSA-N 1 0 317.389 3.653 20 5 DHBDRO Cc1noc(C[NH2+]C2(Cc3ccccc3)CCCC2)c1[N+](=O)[O-] ZINC000595431996 1040136159 /nfs/dbraw/zinc/13/61/59/1040136159.db2.gz IICQLFXORGQMRW-UHFFFAOYSA-N 1 0 315.373 3.536 20 5 DHBDRO CC1(C)CCCC[C@@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595479274 1040150100 /nfs/dbraw/zinc/15/01/00/1040150100.db2.gz FBIHFVAMLHNZPA-CQSZACIVSA-N 1 0 320.437 3.645 20 5 DHBDRO Nc1cccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000595525191 1040159521 /nfs/dbraw/zinc/15/95/21/1040159521.db2.gz PMHKNDUFSKQQFF-MRXNPFEDSA-N 1 0 311.385 3.557 20 5 DHBDRO Cc1ccccc1C1(NCc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595561986 1040173300 /nfs/dbraw/zinc/17/33/00/1040173300.db2.gz HJAJTSHXWOFOLV-UHFFFAOYSA-N 1 0 300.333 3.821 20 5 DHBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000595709720 1040225211 /nfs/dbraw/zinc/22/52/11/1040225211.db2.gz YUGBIVBQITVFHZ-MEDUHNTESA-N 1 0 300.333 3.552 20 5 DHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC(F)CC1 ZINC000595818310 1040248226 /nfs/dbraw/zinc/24/82/26/1040248226.db2.gz GZQPHCAFODJTPZ-UNXYVOJBSA-N 1 0 321.352 3.742 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595786420 1040257157 /nfs/dbraw/zinc/25/71/57/1040257157.db2.gz ABWJJNLNMRRKSG-IIDMSEBBSA-N 1 0 318.417 3.937 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccon2)CC1 ZINC000595833773 1040268372 /nfs/dbraw/zinc/26/83/72/1040268372.db2.gz MLAPJQSLUODOCZ-LBPRGKRZSA-N 1 0 301.346 3.523 20 5 DHBDRO Cc1cc(NCc2ccc(F)c(C[NH+](C)C)c2)c([N+](=O)[O-])s1 ZINC000596128090 1040309801 /nfs/dbraw/zinc/30/98/01/1040309801.db2.gz DDAWAIKSXDATGW-UHFFFAOYSA-N 1 0 323.393 3.778 20 5 DHBDRO C[C@H]1C[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000596154969 1040330106 /nfs/dbraw/zinc/33/01/06/1040330106.db2.gz GLJORNOEWNIEHU-GXSJLCMTSA-N 1 0 311.332 3.570 20 5 DHBDRO Cc1cc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000596307320 1040374792 /nfs/dbraw/zinc/37/47/92/1040374792.db2.gz KNSXBSBEZGCVSA-GFCCVEGCSA-N 1 0 309.385 3.575 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000173841345 1040438399 /nfs/dbraw/zinc/43/83/99/1040438399.db2.gz XCDIZHAATWPWHX-INIZCTEOSA-N 1 0 322.380 3.658 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000596650448 1040538520 /nfs/dbraw/zinc/53/85/20/1040538520.db2.gz JCTATWGIFSBRKM-PXAZEXFGSA-N 1 0 311.385 3.824 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc(C(F)(F)F)c1 ZINC000597119069 1040655365 /nfs/dbraw/zinc/65/53/65/1040655365.db2.gz PVGZQMCUCGUNCE-SWHYSGLUSA-N 1 0 314.307 3.892 20 5 DHBDRO C[C@H](C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000608976697 1040656071 /nfs/dbraw/zinc/65/60/71/1040656071.db2.gz IMBFYNLBKCNPOQ-OAHLLOKOSA-N 1 0 314.385 3.709 20 5 DHBDRO C[C@H](C1CC1)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602444230 1041035970 /nfs/dbraw/zinc/03/59/70/1041035970.db2.gz ZLXZGMBCRKKJJQ-SSDOTTSWSA-N 1 0 319.224 3.649 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C1CCSCC1 ZINC000602544380 1041083396 /nfs/dbraw/zinc/08/33/96/1041083396.db2.gz QSXSSXWNUWFVIY-UHFFFAOYSA-N 1 0 320.336 3.599 20 5 DHBDRO CC(C)(C)C1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602673000 1041142176 /nfs/dbraw/zinc/14/21/76/1041142176.db2.gz AORXNQGQEXNEDR-UHFFFAOYSA-N 1 0 303.362 3.650 20 5 DHBDRO CC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC=CC1 ZINC000602707124 1041169394 /nfs/dbraw/zinc/16/93/94/1041169394.db2.gz SUZHMXFIMADYFM-UHFFFAOYSA-N 1 0 317.208 3.617 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090728396 185311679 /nfs/dbraw/zinc/31/16/79/185311679.db2.gz KJGHTGSQDPRQCX-ZYHUDNBSSA-N 1 0 317.389 3.962 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCCCCC3)o2)c1 ZINC000104661072 194022201 /nfs/dbraw/zinc/02/22/01/194022201.db2.gz ZMYCWDHGKRQBLK-UHFFFAOYSA-N 1 0 315.373 3.668 20 5 DHBDRO CCCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104661403 194022414 /nfs/dbraw/zinc/02/24/14/194022414.db2.gz QXXWTZPKIDLCCU-UHFFFAOYSA-N 1 0 303.362 3.524 20 5 DHBDRO COc1cccc(C2([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000272176900 130005168 /nfs/dbraw/zinc/00/51/68/130005168.db2.gz FBMUAMKNHXNAJJ-CYBMUJFWSA-N 1 0 312.369 3.943 20 5 DHBDRO COCC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000272645650 130050324 /nfs/dbraw/zinc/05/03/24/130050324.db2.gz ZXDAPYMMIXLJBK-SZTZYQKNSA-N 1 0 316.357 3.568 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000272677297 130052786 /nfs/dbraw/zinc/05/27/86/130052786.db2.gz UULHYZDGNVDFEU-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000273069102 130086876 /nfs/dbraw/zinc/08/68/76/130086876.db2.gz OAHLFCOPQHKUOH-NEPJUHHUSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000273171520 130094941 /nfs/dbraw/zinc/09/49/41/130094941.db2.gz CDLYJLORZRKNRB-PMPSAXMXSA-N 1 0 320.433 3.711 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000273321804 130106483 /nfs/dbraw/zinc/10/64/83/130106483.db2.gz ZKTYFYMAEJNGCI-SOUVJXGZSA-N 1 0 306.406 3.759 20 5 DHBDRO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000273430640 130120573 /nfs/dbraw/zinc/12/05/73/130120573.db2.gz TZLFRVPURCBOEU-MRXNPFEDSA-N 1 0 318.373 3.672 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000275638657 130353276 /nfs/dbraw/zinc/35/32/76/130353276.db2.gz RRARGTSEUWWGEW-OLZOCXBDSA-N 1 0 316.323 3.848 20 5 DHBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1ncc(C(C)(C)C)o1 ZINC000285281722 131154842 /nfs/dbraw/zinc/15/48/42/131154842.db2.gz JNAIPFOYXHQFOE-UHFFFAOYSA-N 1 0 317.389 3.555 20 5 DHBDRO Cc1cccc(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000287452647 131280409 /nfs/dbraw/zinc/28/04/09/131280409.db2.gz LLYITYSDRMZSLW-HNNXBMFYSA-N 1 0 313.401 3.890 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000288637326 131333870 /nfs/dbraw/zinc/33/38/70/131333870.db2.gz UAQXAFZULOHAMR-GFCCVEGCSA-N 1 0 318.760 3.514 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC=C(c2ccncc2)C1 ZINC000289532379 131393417 /nfs/dbraw/zinc/39/34/17/131393417.db2.gz HSRGHJJCGPEUTJ-UHFFFAOYSA-N 1 0 309.369 3.588 20 5 DHBDRO C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccccc1[N+](=O)[O-] ZINC000570563877 332773778 /nfs/dbraw/zinc/77/37/78/332773778.db2.gz AXHJDUNKMVONHW-TUBUQKNSSA-N 1 0 304.390 3.737 20 5 DHBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000530952919 331641732 /nfs/dbraw/zinc/64/17/32/331641732.db2.gz ACUZVRDGWVXWRY-SJLPKXTDSA-N 1 0 319.449 3.585 20 5 DHBDRO CCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000516910764 331899484 /nfs/dbraw/zinc/89/94/84/331899484.db2.gz GRTJFXAYUSLLBH-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3CF)o2)cc1 ZINC000569484406 332101395 /nfs/dbraw/zinc/10/13/95/332101395.db2.gz GWQSKHTUGJTYRW-AWEZNQCLSA-N 1 0 304.321 3.789 20 5 DHBDRO CCc1nocc1CN(C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000354353796 332139290 /nfs/dbraw/zinc/13/92/90/332139290.db2.gz AFHIIBGNVVCJOW-UHFFFAOYSA-N 1 0 317.389 3.901 20 5 DHBDRO Cc1cc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000559919340 332292931 /nfs/dbraw/zinc/29/29/31/332292931.db2.gz OFJLAUKLUUARQB-ZDUSSCGKSA-N 1 0 303.362 3.565 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C2CC(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000562105547 332546630 /nfs/dbraw/zinc/54/66/30/332546630.db2.gz BMBNUOYMJGLCDY-OIKLOGQESA-N 1 0 302.296 3.895 20 5 DHBDRO COC1CCC(C)(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000569941467 332695537 /nfs/dbraw/zinc/69/55/37/332695537.db2.gz PZRJIUSKVSGEGB-CRPOECCBSA-N 1 0 318.417 3.767 20 5 DHBDRO Cc1cc(NCCc2ccccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302183810 332984399 /nfs/dbraw/zinc/98/43/99/332984399.db2.gz OPVQYBNREOLGFR-UHFFFAOYSA-N 1 0 308.341 3.501 20 5 DHBDRO CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000466445799 333021192 /nfs/dbraw/zinc/02/11/92/333021192.db2.gz JYHLMSUUMPDCPT-SMDDNHRTSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@@H]([NH2+]CCc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000181562414 333030859 /nfs/dbraw/zinc/03/08/59/333030859.db2.gz VVXOJTOCXVVZGA-CQSZACIVSA-N 1 0 305.403 3.643 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000378894453 333061018 /nfs/dbraw/zinc/06/10/18/333061018.db2.gz AXSLQFBKRIMRSJ-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO CC(C)[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535556157 335125314 /nfs/dbraw/zinc/12/53/14/335125314.db2.gz MXMCQHSEPFETEE-AWEZNQCLSA-N 1 0 315.373 3.728 20 5 DHBDRO CCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000318570982 333161718 /nfs/dbraw/zinc/16/17/18/333161718.db2.gz LXIKMECKJFUALW-UHFFFAOYSA-N 1 0 300.358 3.592 20 5 DHBDRO COc1cc(C[NH2+]C[C@H](C)C2CCCCC2)c([N+](=O)[O-])cc1O ZINC000518785167 333228131 /nfs/dbraw/zinc/22/81/31/333228131.db2.gz PKPCNRFSALLPQV-LBPRGKRZSA-N 1 0 322.405 3.615 20 5 DHBDRO C[C@@H]([NH2+]CCCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000119047464 333234659 /nfs/dbraw/zinc/23/46/59/333234659.db2.gz ZMAHZOSKTYELJH-CQSZACIVSA-N 1 0 324.384 3.685 20 5 DHBDRO CCC[C@@H](NCC[N@H+](C)[C@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000318973222 333236000 /nfs/dbraw/zinc/23/60/00/333236000.db2.gz HPVAHOMGTDKASN-RHSMWYFYSA-N 1 0 307.438 3.756 20 5 DHBDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000390353160 333271064 /nfs/dbraw/zinc/27/10/64/333271064.db2.gz PFHHEUSKCNYJMM-ZIAGYGMSSA-N 1 0 314.385 3.972 20 5 DHBDRO C[C@@H](CCc1ccco1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538300841 333335937 /nfs/dbraw/zinc/33/59/37/333335937.db2.gz GQRIVAXRURDMCN-ZBKLQPJUSA-N 1 0 300.358 3.812 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418910 333602933 /nfs/dbraw/zinc/60/29/33/333602933.db2.gz RIVSGLDEUQRGKY-YVEFUNNKSA-N 1 0 312.369 3.509 20 5 DHBDRO CCC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185860715 335154603 /nfs/dbraw/zinc/15/46/03/335154603.db2.gz KGOPDGHBFJNBFO-HNNXBMFYSA-N 1 0 320.389 3.616 20 5 DHBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000320379300 333802731 /nfs/dbraw/zinc/80/27/31/333802731.db2.gz QRKGFQUVBNQTCJ-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CS1 ZINC000414238743 333918127 /nfs/dbraw/zinc/91/81/27/333918127.db2.gz YAXJROVEXSMEHP-VRKREXBASA-N 1 0 320.458 3.790 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CS1 ZINC000414503964 334000337 /nfs/dbraw/zinc/00/03/37/334000337.db2.gz RPTYLJOAQSZBND-NEPJUHHUSA-N 1 0 318.398 3.838 20 5 DHBDRO CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)CC(F)(F)F ZINC000414517484 334004803 /nfs/dbraw/zinc/00/48/03/334004803.db2.gz RMZKACXJSPHWTM-LLVKDONJSA-N 1 0 304.312 3.971 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1 ZINC000271197797 334019737 /nfs/dbraw/zinc/01/97/37/334019737.db2.gz YRHAGYWLZCVFRF-CQSZACIVSA-N 1 0 317.414 3.650 20 5 DHBDRO C/C(=C\c1nc([C@H]([NH3+])CC(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000414624458 334045625 /nfs/dbraw/zinc/04/56/25/334045625.db2.gz VNRILOMPIUBMRQ-CFRMROPGSA-N 1 0 316.361 3.584 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281369776 334125368 /nfs/dbraw/zinc/12/53/68/334125368.db2.gz GBQIQJDEBKVKOZ-VIFPVBQESA-N 1 0 304.724 3.773 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414968354 334215234 /nfs/dbraw/zinc/21/52/34/334215234.db2.gz CIHURNOILKZULV-UTCJRWHESA-N 1 0 323.396 3.756 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000414982946 334226670 /nfs/dbraw/zinc/22/66/70/334226670.db2.gz ZOCCEAKXDPFQJN-UHFFFAOYSA-N 1 0 311.385 3.551 20 5 DHBDRO Cc1cc(NCCC2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000323716418 334227770 /nfs/dbraw/zinc/22/77/70/334227770.db2.gz JPVQXMCSWVCBBC-UHFFFAOYSA-N 1 0 315.373 3.680 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3nc(Cl)ccc32)cc1 ZINC000297066716 334239227 /nfs/dbraw/zinc/23/92/27/334239227.db2.gz WDLGQNLDGVIEEM-CQSZACIVSA-N 1 0 317.776 3.810 20 5 DHBDRO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000340837701 334389076 /nfs/dbraw/zinc/38/90/76/334389076.db2.gz HMZMDABHHGRFDO-UHFFFAOYSA-N 1 0 301.346 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3cc(F)ccc32)cc1 ZINC000341710667 334473002 /nfs/dbraw/zinc/47/30/02/334473002.db2.gz NQNSNGVXMTZDCZ-SFHVURJKSA-N 1 0 314.360 3.944 20 5 DHBDRO CC[C@@H]([NH2+]CCN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000342299057 334526341 /nfs/dbraw/zinc/52/63/41/334526341.db2.gz ZLNHJXAFLRPSGX-GOSISDBHSA-N 1 0 313.401 3.772 20 5 DHBDRO Cc1ncsc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314142 334705305 /nfs/dbraw/zinc/70/53/05/334705305.db2.gz QSCJCHJNAIOXJB-HNNXBMFYSA-N 1 0 317.414 3.917 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cccnc1)CCCC2 ZINC000417330723 334709296 /nfs/dbraw/zinc/70/92/96/334709296.db2.gz VKDLWPQRJROABA-SFHVURJKSA-N 1 0 311.385 3.590 20 5 DHBDRO CCC(O)(CC)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417338955 334710002 /nfs/dbraw/zinc/71/00/02/334710002.db2.gz KXXCLWIYIUQASW-MRXNPFEDSA-N 1 0 306.406 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1COc3ccccc31)CCC2 ZINC000343994524 335206261 /nfs/dbraw/zinc/20/62/61/335206261.db2.gz SRBXSKRPGXEGNA-KDOFPFPSSA-N 1 0 324.380 3.738 20 5 DHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)CC1CCCCCC1 ZINC000444803775 338489801 /nfs/dbraw/zinc/48/98/01/338489801.db2.gz QIBNAEPZYQKLNJ-UHFFFAOYSA-N 1 0 308.426 3.557 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCSC1)CCC2 ZINC000348217555 335562284 /nfs/dbraw/zinc/56/22/84/335562284.db2.gz AUPYDEOKOMLQNA-MLGOLLRUSA-N 1 0 306.431 3.705 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C ZINC000532232501 335922559 /nfs/dbraw/zinc/92/25/59/335922559.db2.gz HFEYASVNWGLAQG-RHSMWYFYSA-N 1 0 308.422 3.741 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000332025703 336156144 /nfs/dbraw/zinc/15/61/44/336156144.db2.gz RTLNFPZILYPAKO-NHYWBVRUSA-N 1 0 306.431 3.802 20 5 DHBDRO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 ZINC000332107747 336159173 /nfs/dbraw/zinc/15/91/73/336159173.db2.gz FOVDPPXKGKMWES-LBPRGKRZSA-N 1 0 315.373 3.870 20 5 DHBDRO COCC[C@H]1CCCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000332341295 336169206 /nfs/dbraw/zinc/16/92/06/336169206.db2.gz QWOFVUCYDRVDDJ-LSDHHAIUSA-N 1 0 306.406 3.794 20 5 DHBDRO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000332338739 336169252 /nfs/dbraw/zinc/16/92/52/336169252.db2.gz QMVVWIOVHSQNFN-GJZGRUSLSA-N 1 0 306.406 3.794 20 5 DHBDRO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000351933486 336180755 /nfs/dbraw/zinc/18/07/55/336180755.db2.gz CVGBSBDLTSFFCK-LBPRGKRZSA-N 1 0 310.369 3.513 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cccs1)CCC2 ZINC000192604045 336182297 /nfs/dbraw/zinc/18/22/97/336182297.db2.gz RUVYRZPMEOMZKY-MRXNPFEDSA-N 1 0 302.399 3.866 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1F ZINC000352556124 336224495 /nfs/dbraw/zinc/22/44/95/336224495.db2.gz VVYLQSKWICPGLJ-OAHLLOKOSA-N 1 0 318.348 3.983 20 5 DHBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000352609045 336226629 /nfs/dbraw/zinc/22/66/29/336226629.db2.gz QNDMCYUZANMGQY-HZPDHXFCSA-N 1 0 322.380 3.513 20 5 DHBDRO COc1cc(CN([C@H](C)c2ccco2)C2CC2)ccc1[N+](=O)[O-] ZINC000352780277 336236008 /nfs/dbraw/zinc/23/60/08/336236008.db2.gz SRYYVIYVJWKGDC-GFCCVEGCSA-N 1 0 316.357 3.922 20 5 DHBDRO CCC(CC)(CCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192922281 336284302 /nfs/dbraw/zinc/28/43/02/336284302.db2.gz SIAJWQPUMUAVHB-QGZVFWFLSA-N 1 0 320.433 3.751 20 5 DHBDRO COCCC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000192959176 336286036 /nfs/dbraw/zinc/28/60/36/336286036.db2.gz QPMUGOHKPPBTEE-KRWDZBQOSA-N 1 0 318.417 3.769 20 5 DHBDRO C[C@@H]([NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000301161415 336292633 /nfs/dbraw/zinc/29/26/33/336292633.db2.gz BOYXOLXNXGRYSS-CYBMUJFWSA-N 1 0 314.389 3.531 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000301591849 336317005 /nfs/dbraw/zinc/31/70/05/336317005.db2.gz ZHTXFVKQAFXHJZ-MRXNPFEDSA-N 1 0 315.373 3.745 20 5 DHBDRO O=[N+]([O-])c1ccsc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000301934281 336338760 /nfs/dbraw/zinc/33/87/60/336338760.db2.gz OCRLKIVRNCSSRB-CQSZACIVSA-N 1 0 323.462 3.749 20 5 DHBDRO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301970288 336340489 /nfs/dbraw/zinc/34/04/89/336340489.db2.gz DHPNWWIUAIUYNL-SJLPKXTDSA-N 1 0 311.385 3.761 20 5 DHBDRO C[C@H](CNc1sccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000301984230 336341380 /nfs/dbraw/zinc/34/13/80/336341380.db2.gz CBYLXDIDPVCQIK-GFCCVEGCSA-N 1 0 305.403 3.589 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000302020520 336343516 /nfs/dbraw/zinc/34/35/16/336343516.db2.gz NQGUAAWUNZOUFO-KBPBESRZSA-N 1 0 323.462 3.747 20 5 DHBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302067078 336346644 /nfs/dbraw/zinc/34/66/44/336346644.db2.gz WNAAUNNKWOBGDD-QWHCGFSZSA-N 1 0 321.396 3.799 20 5 DHBDRO Cc1ccc(CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)nc1 ZINC000302690967 336365130 /nfs/dbraw/zinc/36/51/30/336365130.db2.gz ROJMLDUXBXCATR-UHFFFAOYSA-N 1 0 322.368 3.791 20 5 DHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000320861177 336374868 /nfs/dbraw/zinc/37/48/68/336374868.db2.gz GJMAKMAEZFLMKU-IRXDYDNUSA-N 1 0 318.417 3.812 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCc3ccc(F)cc32)cs1 ZINC000355530827 336513196 /nfs/dbraw/zinc/51/31/96/336513196.db2.gz KCNLXHMAPIXKTQ-AWEZNQCLSA-N 1 0 306.362 3.963 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1COCc2ccccc21 ZINC000418109053 336578181 /nfs/dbraw/zinc/57/81/81/336578181.db2.gz SLROWLSTMCVPBC-CECLQJIQSA-N 1 0 324.380 3.859 20 5 DHBDRO CC[C@H]([NH2+]CCOc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358007998 336605891 /nfs/dbraw/zinc/60/58/91/336605891.db2.gz ADHNZNALWAFKKI-KRWDZBQOSA-N 1 0 318.348 3.854 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(OC)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000358265873 336620308 /nfs/dbraw/zinc/62/03/08/336620308.db2.gz LHZGPDKNYFXTJO-QGZVFWFLSA-N 1 0 318.348 3.983 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000361877625 336776317 /nfs/dbraw/zinc/77/63/17/336776317.db2.gz QMVHVOUMYABMLL-MSOLQXFVSA-N 1 0 314.385 3.759 20 5 DHBDRO Cc1ccc(C[NH+]2CCC([C@H]3CCCOC3)CC2)cc1[N+](=O)[O-] ZINC000367876395 336831437 /nfs/dbraw/zinc/83/14/37/336831437.db2.gz DIAHDUDNPMZNLU-KRWDZBQOSA-N 1 0 318.417 3.542 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000371636698 336909537 /nfs/dbraw/zinc/90/95/37/336909537.db2.gz DOALVGSIKNJYNP-RHSMWYFYSA-N 1 0 318.417 3.794 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000375238527 337006425 /nfs/dbraw/zinc/00/64/25/337006425.db2.gz RIKMZOBGOGPGAT-HUUCEWRRSA-N 1 0 318.417 3.855 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cs1 ZINC000377774619 337060723 /nfs/dbraw/zinc/06/07/23/337060723.db2.gz KKIJMNHZIWEHGS-CABCVRRESA-N 1 0 318.398 3.666 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1 ZINC000378137537 337067032 /nfs/dbraw/zinc/06/70/32/337067032.db2.gz XFWMHIHJPYZBJL-UHFFFAOYSA-N 1 0 324.380 3.616 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000514669660 337151495 /nfs/dbraw/zinc/15/14/95/337151495.db2.gz BAACLPXHTLUFST-KSSFIOAISA-N 1 0 312.369 3.809 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000180259624 337175603 /nfs/dbraw/zinc/17/56/03/337175603.db2.gz PMBFRDIAGUKFAJ-HIFRSBDPSA-N 1 0 322.405 3.603 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CN(Cc1ccncc1)C1CC1 ZINC000180758620 337177708 /nfs/dbraw/zinc/17/77/08/337177708.db2.gz RRVNSPLGSRUJLE-UHFFFAOYSA-N 1 0 317.776 3.808 20 5 DHBDRO Cc1cc(N(C)Cc2cscn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181472617 337182396 /nfs/dbraw/zinc/18/23/96/337182396.db2.gz KTLSGMVTSWBZAB-UHFFFAOYSA-N 1 0 314.370 3.544 20 5 DHBDRO Cc1c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186710061 337258866 /nfs/dbraw/zinc/25/88/66/337258866.db2.gz POGINXRTURDBEJ-LJQANCHMSA-N 1 0 324.380 3.535 20 5 DHBDRO CC[C@@H](O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000124371215 337405050 /nfs/dbraw/zinc/40/50/50/337405050.db2.gz FDOSFFPQJRFNEI-GFCCVEGCSA-N 1 0 320.414 3.574 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cccc1[N+](=O)[O-] ZINC000247073151 337557467 /nfs/dbraw/zinc/55/74/67/337557467.db2.gz NDCTVGFQOSJLAY-MKVSYHDVSA-N 1 0 304.390 3.511 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COc2ccccc21 ZINC000572200854 337596540 /nfs/dbraw/zinc/59/65/40/337596540.db2.gz IUEDVBABYSBXOY-IHWMJMDHSA-N 1 0 324.380 3.764 20 5 DHBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000421855167 337650328 /nfs/dbraw/zinc/65/03/28/337650328.db2.gz LQITZIUQMLEABY-YSVLISHTSA-N 1 0 304.390 3.519 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000536831597 337734547 /nfs/dbraw/zinc/73/45/47/337734547.db2.gz HCKURBAIMGDPNG-IBGZPJMESA-N 1 0 310.397 3.748 20 5 DHBDRO C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000120477041 337876709 /nfs/dbraw/zinc/87/67/09/337876709.db2.gz QANTXMCKICLUHI-GUYCJALGSA-N 1 0 306.406 3.577 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCc1ccccc1 ZINC000430192899 338100548 /nfs/dbraw/zinc/10/05/48/338100548.db2.gz DRFOCZYXVQPGOU-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCSCc2ccccc2)c1 ZINC000430779958 338114743 /nfs/dbraw/zinc/11/47/43/338114743.db2.gz HRGLVMBVBKMHJJ-UHFFFAOYSA-N 1 0 316.426 3.660 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000432308721 338152704 /nfs/dbraw/zinc/15/27/04/338152704.db2.gz UEDADCCPDDAZIM-ZDUSSCGKSA-N 1 0 323.824 3.703 20 5 DHBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccccc3[N+](=O)[O-])cccc21 ZINC000432936052 338174186 /nfs/dbraw/zinc/17/41/86/338174186.db2.gz CDDQKBBHIUYWPM-HNNXBMFYSA-N 1 0 313.357 3.724 20 5 DHBDRO CSC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCC1 ZINC000433194147 338185314 /nfs/dbraw/zinc/18/53/14/338185314.db2.gz VDSPJLQOOKMALH-UKTHLTGXSA-N 1 0 306.431 3.873 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000433304637 338190655 /nfs/dbraw/zinc/19/06/55/338190655.db2.gz NYFJCVLNZGNCNU-GVDBMIGSSA-N 1 0 318.417 3.864 20 5 DHBDRO CCC(CC)(CO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433305782 338190845 /nfs/dbraw/zinc/19/08/45/338190845.db2.gz QDRCCLVDSXHKCE-INIZCTEOSA-N 1 0 320.433 3.706 20 5 DHBDRO CSc1ccc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000435735026 338246981 /nfs/dbraw/zinc/24/69/81/338246981.db2.gz IOFQEAUMUIYHMZ-UHFFFAOYSA-N 1 0 316.426 3.957 20 5 DHBDRO CC(C)c1ncc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000440475879 338388019 /nfs/dbraw/zinc/38/80/19/338388019.db2.gz FJEVIVYRZVVXRJ-ZDUSSCGKSA-N 1 0 314.389 3.701 20 5 DHBDRO C[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1cccc([N+](=O)[O-])c1 ZINC000442774718 338430333 /nfs/dbraw/zinc/43/03/33/338430333.db2.gz DHKYXIZXJLLQHR-JSGCOSHPSA-N 1 0 321.380 3.894 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)nc2c1 ZINC000446835778 338537638 /nfs/dbraw/zinc/53/76/38/338537638.db2.gz QHNWJJZHWYFZQV-QWHCGFSZSA-N 1 0 314.389 3.530 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCCCC3)CC2)c1 ZINC000446894690 338539868 /nfs/dbraw/zinc/53/98/68/338539868.db2.gz PQCCYSSOTANOHO-UHFFFAOYSA-N 1 0 317.433 3.606 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNc1ccccc1 ZINC000449057972 338589087 /nfs/dbraw/zinc/58/90/87/338589087.db2.gz FVLBBIFVXFTNOJ-OAHLLOKOSA-N 1 0 313.401 3.618 20 5 DHBDRO CC1(F)CC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449369554 338618480 /nfs/dbraw/zinc/61/84/80/338618480.db2.gz DJQBENQQJAQODB-UHFFFAOYSA-N 1 0 321.377 3.699 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000451161208 338723608 /nfs/dbraw/zinc/72/36/08/338723608.db2.gz HWJLHRKAUQXKPG-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](OC)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000453268944 338816554 /nfs/dbraw/zinc/81/65/54/338816554.db2.gz OXTXMGQLFRLNEP-GDZNZVCISA-N 1 0 324.421 3.705 20 5 DHBDRO Cc1ccncc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453318375 338823842 /nfs/dbraw/zinc/82/38/42/338823842.db2.gz BKGJPAIOYLTJSF-KRWDZBQOSA-N 1 0 311.385 3.810 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459786114 339048470 /nfs/dbraw/zinc/04/84/70/339048470.db2.gz BBSVJXBEKNQNPX-QWHCGFSZSA-N 1 0 322.405 3.565 20 5 DHBDRO CCCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461789829 339067243 /nfs/dbraw/zinc/06/72/43/339067243.db2.gz WJFZTBPVWHZQEK-UHFFFAOYSA-N 1 0 309.385 3.719 20 5 DHBDRO Cc1cc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000462903164 339097066 /nfs/dbraw/zinc/09/70/66/339097066.db2.gz RAEXOFNPFMNCMR-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000466362543 339200692 /nfs/dbraw/zinc/20/06/92/339200692.db2.gz BPKSKAMESXOSMY-BHYGNILZSA-N 1 0 318.417 3.588 20 5 DHBDRO Cc1cncc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000467730328 339244950 /nfs/dbraw/zinc/24/49/50/339244950.db2.gz ARIBVPCGSNZNHY-OAHLLOKOSA-N 1 0 313.401 3.972 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000467988233 339250578 /nfs/dbraw/zinc/25/05/78/339250578.db2.gz KQCJEBHZEPNTPU-INIZCTEOSA-N 1 0 300.333 3.554 20 5 DHBDRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467997741 339250725 /nfs/dbraw/zinc/25/07/25/339250725.db2.gz FWMUFEIUPJOMLE-KZULUSFZSA-N 1 0 314.360 3.800 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000468004871 339251006 /nfs/dbraw/zinc/25/10/06/339251006.db2.gz MGZLMUJLRUGBTG-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CS1 ZINC000468005772 339251043 /nfs/dbraw/zinc/25/10/43/339251043.db2.gz OXLZTPBYPFMWAB-ZFWWWQNUSA-N 1 0 308.447 3.647 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000468554313 339266274 /nfs/dbraw/zinc/26/62/74/339266274.db2.gz MQAZALVIFHUJNH-PBHICJAKSA-N 1 0 320.433 3.711 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)C(F)(F)F ZINC000468601556 339266903 /nfs/dbraw/zinc/26/69/03/339266903.db2.gz UZSIOPDHMVLBSC-YAEJEKNGSA-N 1 0 302.296 3.786 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccsc1 ZINC000468620382 339267118 /nfs/dbraw/zinc/26/71/18/339267118.db2.gz SLBRCLWTQCORTD-LCYFTJDESA-N 1 0 302.399 3.892 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)CCC(C)C ZINC000468627630 339267385 /nfs/dbraw/zinc/26/73/85/339267385.db2.gz GHLQTEDJEBMKLE-BXBOZWQASA-N 1 0 320.433 3.775 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000468648519 339268033 /nfs/dbraw/zinc/26/80/33/339268033.db2.gz QCYLLLUAFAYRIA-IQRUHWCRSA-N 1 0 304.390 3.545 20 5 DHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000469780394 339299403 /nfs/dbraw/zinc/29/94/03/339299403.db2.gz OLLNIICPNIEKLR-CVEARBPZSA-N 1 0 324.446 3.628 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCOC(C)C ZINC000470174586 339312803 /nfs/dbraw/zinc/31/28/03/339312803.db2.gz UFDXGQOONVMOJU-RVDMUPIBSA-N 1 0 306.406 3.745 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCCOC(C)C ZINC000470174585 339312932 /nfs/dbraw/zinc/31/29/32/339312932.db2.gz UFDXGQOONVMOJU-PTNGSMBKSA-N 1 0 306.406 3.745 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC(F)(F)F ZINC000470178883 339312979 /nfs/dbraw/zinc/31/29/79/339312979.db2.gz PHHVWECEYLQBAA-FLIBITNWSA-N 1 0 302.296 3.882 20 5 DHBDRO CSC[C@H]1CCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470179515 339313206 /nfs/dbraw/zinc/31/32/06/339313206.db2.gz YFZCAROPLDTYHX-LRFDDAOPSA-N 1 0 306.431 3.826 20 5 DHBDRO CC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCS1 ZINC000470183900 339313324 /nfs/dbraw/zinc/31/33/24/339313324.db2.gz SVOCJPFCNZDDLI-LRFDDAOPSA-N 1 0 306.431 3.826 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCc1ccccn1 ZINC000470202922 339314195 /nfs/dbraw/zinc/31/41/95/339314195.db2.gz NFLSQUPQGNRTCU-QINSGFPZSA-N 1 0 311.385 3.568 20 5 DHBDRO CC(C)(C)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000472194882 339365785 /nfs/dbraw/zinc/36/57/85/339365785.db2.gz XGKLJUYFXDOPQM-UHFFFAOYSA-N 1 0 317.389 3.994 20 5 DHBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000474799150 339426699 /nfs/dbraw/zinc/42/66/99/339426699.db2.gz NIYNGFKDUSSHEZ-FUHWJXTLSA-N 1 0 320.433 3.712 20 5 DHBDRO COC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCC(C)CC1 ZINC000479500159 339538342 /nfs/dbraw/zinc/53/83/42/339538342.db2.gz HNYXJQGOAIONOK-XOYHFGRZSA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccccc1F)C1CC1 ZINC000479851752 339550603 /nfs/dbraw/zinc/55/06/03/339550603.db2.gz NONCUKRCPUZDRU-QGZVFWFLSA-N 1 0 314.360 3.845 20 5 DHBDRO Cc1c([C@H](C)NCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000480171384 339561981 /nfs/dbraw/zinc/56/19/81/339561981.db2.gz QNXNLDQULMLYPG-INIZCTEOSA-N 1 0 319.449 3.676 20 5 DHBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000481190710 339598031 /nfs/dbraw/zinc/59/80/31/339598031.db2.gz LRCJBHJQBIQHPR-NTZNESFSSA-N 1 0 303.362 3.650 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000485697350 339709848 /nfs/dbraw/zinc/70/98/48/339709848.db2.gz VXYNPBQUVQPECJ-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO COc1cc(C[NH2+]C(C)(C)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000492851422 339910604 /nfs/dbraw/zinc/91/06/04/339910604.db2.gz KIHHOUHNDCRPQL-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO Cn1ccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000493300368 339922551 /nfs/dbraw/zinc/92/25/51/339922551.db2.gz CTVZMJHKRCRHEF-IBGZPJMESA-N 1 0 321.380 3.813 20 5 DHBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000502456629 340104366 /nfs/dbraw/zinc/10/43/66/340104366.db2.gz ZKTRXTPAFIVKCK-WMZOPIPTSA-N 1 0 320.433 3.712 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000502559022 340107716 /nfs/dbraw/zinc/10/77/16/340107716.db2.gz LNFWKOPQYSGIJM-LERXQTSPSA-N 1 0 314.332 3.796 20 5 DHBDRO Cc1cc(F)cc2c1CN(Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000502876789 340115322 /nfs/dbraw/zinc/11/53/22/340115322.db2.gz KAQPJFCJWBADDL-UHFFFAOYSA-N 1 0 318.323 3.740 20 5 DHBDRO CCC[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000506499697 340195704 /nfs/dbraw/zinc/19/57/04/340195704.db2.gz NIOYHQFAFPVULR-UHFFFAOYSA-N 1 0 304.346 3.705 20 5 DHBDRO CCC[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506751285 340200919 /nfs/dbraw/zinc/20/09/19/340200919.db2.gz JEYXLTOODFXSLC-UHFFFAOYSA-N 1 0 320.414 3.528 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000511075226 340320165 /nfs/dbraw/zinc/32/01/65/340320165.db2.gz RBYXGYIHEOPKQZ-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO C[N@H+](CCSc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511093915 340320552 /nfs/dbraw/zinc/32/05/52/340320552.db2.gz FMBOWGCSTNLZRU-UHFFFAOYSA-N 1 0 316.426 3.861 20 5 DHBDRO CSc1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511122127 340321542 /nfs/dbraw/zinc/32/15/42/340321542.db2.gz HPUJSXSUTLAYPE-UHFFFAOYSA-N 1 0 316.426 3.991 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000512188533 340351448 /nfs/dbraw/zinc/35/14/48/340351448.db2.gz ZSMDVZPOEOLQBD-YQQAZPJKSA-N 1 0 317.433 3.523 20 5 DHBDRO Cc1c(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000512325629 340357166 /nfs/dbraw/zinc/35/71/66/340357166.db2.gz WGYYPQWNXSMNIS-GOSISDBHSA-N 1 0 310.397 3.893 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512844224 340380578 /nfs/dbraw/zinc/38/05/78/340380578.db2.gz MCBXRHZWJBREKE-NWDGAFQWSA-N 1 0 314.332 3.525 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000522015353 340562627 /nfs/dbraw/zinc/56/26/27/340562627.db2.gz XGAWACIQFKEUOA-BMIGLBTASA-N 1 0 315.373 3.580 20 5 DHBDRO CCC[NH+](CCC)CCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000522935662 340610679 /nfs/dbraw/zinc/61/06/79/340610679.db2.gz CHLVURLHXCZPAV-UHFFFAOYSA-N 1 0 314.817 3.567 20 5 DHBDRO Cc1ccnc(NC[C@@H](C(C)C)[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000523755278 340637968 /nfs/dbraw/zinc/63/79/68/340637968.db2.gz IMCZJRWGQVNGFL-HNNXBMFYSA-N 1 0 320.437 3.611 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000539072048 340870480 /nfs/dbraw/zinc/87/04/80/340870480.db2.gz BBTFXCQLMZMGLN-CQSZACIVSA-N 1 0 310.397 3.969 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC000540139909 340916242 /nfs/dbraw/zinc/91/62/42/340916242.db2.gz HOBTUPLQFKNLHL-XJKSGUPXSA-N 1 0 308.422 3.597 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCC[C@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000540160190 340919012 /nfs/dbraw/zinc/91/90/12/340919012.db2.gz LXDHPCAZUBOAKJ-HDMKZQKVSA-N 1 0 320.433 3.885 20 5 DHBDRO CCOc1cccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000540161418 340919072 /nfs/dbraw/zinc/91/90/72/340919072.db2.gz TZYUOUMCXWPETM-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO CCOc1cccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000540161419 340919164 /nfs/dbraw/zinc/91/91/64/340919164.db2.gz TZYUOUMCXWPETM-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000540589544 340936608 /nfs/dbraw/zinc/93/66/08/340936608.db2.gz ZLJAAQPEVKOCMM-HNNXBMFYSA-N 1 0 321.421 3.646 20 5 DHBDRO CCc1cnccc1[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000540651412 340940350 /nfs/dbraw/zinc/94/03/50/340940350.db2.gz AHYOKRVTGOYLFZ-IZPAUZPXSA-N 1 0 311.385 3.916 20 5 DHBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCCCC[NH+]2CCCCC2)n1 ZINC000541934379 340990193 /nfs/dbraw/zinc/99/01/93/340990193.db2.gz KBVIBMZHBBWPPF-UHFFFAOYSA-N 1 0 320.437 3.675 20 5 DHBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000542320737 341004754 /nfs/dbraw/zinc/00/47/54/341004754.db2.gz UIWAFTMNRDYUET-NSHDSACASA-N 1 0 303.362 3.604 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCS1 ZINC000542496680 341010442 /nfs/dbraw/zinc/01/04/42/341010442.db2.gz BZAOEFZBKSSMFB-HIFRSBDPSA-N 1 0 308.447 3.791 20 5 DHBDRO COC1CCC(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000543619484 341051319 /nfs/dbraw/zinc/05/13/19/341051319.db2.gz AIKOMWIFQDXZHE-GQCTYLIASA-N 1 0 318.417 3.793 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000130989740 341055870 /nfs/dbraw/zinc/05/58/70/341055870.db2.gz FQQSYOPEULHBMI-SUMWQHHRSA-N 1 0 305.422 3.508 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000544526847 341084930 /nfs/dbraw/zinc/08/49/30/341084930.db2.gz GZZYOHSDJGZNKE-WOSRLPQWSA-N 1 0 312.369 3.810 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000544611513 341088976 /nfs/dbraw/zinc/08/89/76/341088976.db2.gz FUYPFYBOVJYNKS-HOTGVXAUSA-N 1 0 306.431 3.763 20 5 DHBDRO Cc1cccc(C)c1[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000544896257 341098091 /nfs/dbraw/zinc/09/80/91/341098091.db2.gz SFWAXIZQUHOLDB-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO CC[C@@H](CC(F)(F)F)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000544939213 341100320 /nfs/dbraw/zinc/10/03/20/341100320.db2.gz AEMOAWNLQHOBNV-HWPRWLFBSA-N 1 0 302.296 3.929 20 5 DHBDRO CCC(CC)(C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000546870676 341184312 /nfs/dbraw/zinc/18/43/12/341184312.db2.gz YDSGKPFSRDJLHT-CYBMUJFWSA-N 1 0 322.405 3.533 20 5 DHBDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000548723056 341270655 /nfs/dbraw/zinc/27/06/55/341270655.db2.gz OWXBXUZCLLAEMZ-WFASDCNBSA-N 1 0 300.358 3.644 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)cc(F)c1 ZINC000548935415 341281492 /nfs/dbraw/zinc/28/14/92/341281492.db2.gz KTMBPUNRLZHXMR-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO CO[C@@H](C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000549551556 341297513 /nfs/dbraw/zinc/29/75/13/341297513.db2.gz VVBNHOSTAABAGA-LBPRGKRZSA-N 1 0 320.414 3.838 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3F)o2)c1 ZINC000550320917 341315215 /nfs/dbraw/zinc/31/52/15/341315215.db2.gz KSIGLGYJWPJCPY-CABCVRRESA-N 1 0 304.321 3.835 20 5 DHBDRO Cc1ccnc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000552062439 341366365 /nfs/dbraw/zinc/36/63/65/341366365.db2.gz XNCKUYIWLOCQIC-OAHLLOKOSA-N 1 0 313.401 3.972 20 5 DHBDRO C[C@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC[C@H]1O ZINC000249056659 341392726 /nfs/dbraw/zinc/39/27/26/341392726.db2.gz YSYMONNJMLTKGG-RCCFBDPRSA-N 1 0 318.417 3.503 20 5 DHBDRO CC[NH+]1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553248136 341421860 /nfs/dbraw/zinc/42/18/60/341421860.db2.gz FKTBEEYLZQJAJZ-UHFFFAOYSA-N 1 0 318.204 3.798 20 5 DHBDRO CC(C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000553313279 341424903 /nfs/dbraw/zinc/42/49/03/341424903.db2.gz DPBKXWRSWLBSCU-UHFFFAOYSA-N 1 0 318.348 3.638 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000554401621 341453474 /nfs/dbraw/zinc/45/34/74/341453474.db2.gz FGCVXTPPNWCDSA-WHXUTIOJSA-N 1 0 302.296 3.895 20 5 DHBDRO CC[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000556203448 341497160 /nfs/dbraw/zinc/49/71/60/341497160.db2.gz ODWLPDSVDQNPAK-YHUYYLMFSA-N 1 0 320.437 3.833 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000564820896 341510618 /nfs/dbraw/zinc/51/06/18/341510618.db2.gz SEHVQXLIIFPGMR-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000154178540 341586039 /nfs/dbraw/zinc/58/60/39/341586039.db2.gz CTDOTVGXSNJERN-SECBINFHSA-N 1 0 306.284 3.597 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C(C)(C)O1 ZINC000567367188 341599129 /nfs/dbraw/zinc/59/91/29/341599129.db2.gz XPIRFORXKPFOJG-HIFRSBDPSA-N 1 0 304.390 3.518 20 5 DHBDRO COCc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000268767735 341603622 /nfs/dbraw/zinc/60/36/22/341603622.db2.gz JYIYPYNKXZNUIE-CYBMUJFWSA-N 1 0 300.358 3.592 20 5 DHBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC1 ZINC000336861526 341808562 /nfs/dbraw/zinc/80/85/62/341808562.db2.gz BYLVFZDSFKKESN-UHFFFAOYSA-N 1 0 317.311 3.510 20 5 DHBDRO CCCC(O)(CCC)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576360631 341842586 /nfs/dbraw/zinc/84/25/86/341842586.db2.gz VLFPQPDKKCOINH-HNNXBMFYSA-N 1 0 306.406 3.503 20 5 DHBDRO CCc1ccc([C@H]([NH2+]CCCF)c2ccc([N+](=O)[O-])cc2)o1 ZINC000576739858 341860873 /nfs/dbraw/zinc/86/08/73/341860873.db2.gz NUHKPVHVGFWGLB-MRXNPFEDSA-N 1 0 306.337 3.789 20 5 DHBDRO Cc1cccc2ncc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])n21 ZINC000492194659 518190765 /nfs/dbraw/zinc/19/07/65/518190765.db2.gz SIIKOGFYAIOXRK-UHFFFAOYSA-N 1 0 324.384 3.576 20 5 DHBDRO CCCO[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266721539 520287229 /nfs/dbraw/zinc/28/72/29/520287229.db2.gz HOPOAESAKZLUNN-CABCVRRESA-N 1 0 306.406 3.937 20 5 DHBDRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182815935 520728550 /nfs/dbraw/zinc/72/85/50/520728550.db2.gz OVIXHSDVCIQACY-HOTGVXAUSA-N 1 0 319.449 3.628 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000119294853 521225781 /nfs/dbraw/zinc/22/57/81/521225781.db2.gz AADZCOIPIGFIOB-OCCSQVGLSA-N 1 0 322.405 3.602 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000119294621 521226523 /nfs/dbraw/zinc/22/65/23/521226523.db2.gz AADZCOIPIGFIOB-TZMCWYRMSA-N 1 0 322.405 3.602 20 5 DHBDRO CCOC1CC(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000189250535 521645532 /nfs/dbraw/zinc/64/55/32/521645532.db2.gz YHGKMAIDADSMJD-HLIUYOAVSA-N 1 0 306.406 3.759 20 5 DHBDRO COc1cc(C)ccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124556704 522264295 /nfs/dbraw/zinc/26/42/95/522264295.db2.gz OHDMRTMVUOQAMX-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CCc1nc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000157098333 522285139 /nfs/dbraw/zinc/28/51/39/522285139.db2.gz LELOYVLHIHGDBL-GFCCVEGCSA-N 1 0 319.430 3.815 20 5 DHBDRO CC[C@@H]([NH2+]CCCCCn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000181547535 522827244 /nfs/dbraw/zinc/82/72/44/522827244.db2.gz FHAPNJDGRWTVEZ-QGZVFWFLSA-N 1 0 316.405 3.703 20 5 DHBDRO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151715336 524775530 /nfs/dbraw/zinc/77/55/30/524775530.db2.gz NICXQHXKGVUDIQ-NEPJUHHUSA-N 1 0 320.414 3.602 20 5 DHBDRO Cc1ccc(NC[C@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000338292928 525281264 /nfs/dbraw/zinc/28/12/64/525281264.db2.gz CWSNUBRTEAXZFM-OAHLLOKOSA-N 1 0 305.403 3.680 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266807666 525526130 /nfs/dbraw/zinc/52/61/30/525526130.db2.gz UKLQFBUDRZKHST-PRXAMGSTSA-N 1 0 318.348 3.507 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000156014028 525554125 /nfs/dbraw/zinc/55/41/25/525554125.db2.gz XBCZUNMYDBEUMM-XKQJLSEDSA-N 1 0 314.389 3.626 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([NH2+]C(C)C)CC1 ZINC000193350991 525557211 /nfs/dbraw/zinc/55/72/11/525557211.db2.gz MWMGCPVWDDMPQW-UHFFFAOYSA-N 1 0 311.813 3.523 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000127229762 525645224 /nfs/dbraw/zinc/64/52/24/525645224.db2.gz IHGIZBKUUJSECT-UKRRQHHQSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000156940402 525731948 /nfs/dbraw/zinc/73/19/48/525731948.db2.gz XGUXUGJVMKIOAF-WBMJQRKESA-N 1 0 320.414 3.523 20 5 DHBDRO CSCc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000189474821 525737794 /nfs/dbraw/zinc/73/77/94/525737794.db2.gz ZAWVVAHUQUACOT-UHFFFAOYSA-N 1 0 302.399 3.748 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000159998832 525897275 /nfs/dbraw/zinc/89/72/75/525897275.db2.gz GXCGCBYXBJBMAY-MLGOLLRUSA-N 1 0 320.414 3.523 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000271936235 535420779 /nfs/dbraw/zinc/42/07/79/535420779.db2.gz OJBWRSZBJRHPTE-ZENOOKHLSA-N 1 0 322.405 3.602 20 5 DHBDRO COCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272568070 536818930 /nfs/dbraw/zinc/81/89/30/536818930.db2.gz FOILXGOZCRQSOQ-CJNGLKHVSA-N 1 0 318.373 3.925 20 5 DHBDRO C[C@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000725263950 563570293 /nfs/dbraw/zinc/57/02/93/563570293.db2.gz WVUJFLWYTFOYAJ-JTQLQIEISA-N 1 0 313.195 3.589 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000359864664 1013055717 /nfs/dbraw/zinc/05/57/17/1013055717.db2.gz BMYWKTAFUCRTKB-GVDBMIGSSA-N 1 0 304.390 3.593 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000086585877 1013107948 /nfs/dbraw/zinc/10/79/48/1013107948.db2.gz VOBMVNBZFFPOPC-UHFFFAOYSA-N 1 0 306.749 3.547 20 5 DHBDRO CN1CCC12CN(C(=O)c1c3ccccc3cc3ccccc31)C2 ZINC001270376818 1013113683 /nfs/dbraw/zinc/11/36/83/1013113683.db2.gz KJNSOWBPRNOBLN-UHFFFAOYSA-N 1 0 316.404 3.523 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000246944106 1013232381 /nfs/dbraw/zinc/23/23/81/1013232381.db2.gz GZZPLESZUMRUDL-NXOAAHMSSA-N 1 0 304.390 3.593 20 5 DHBDRO COc1cc(C[NH2+]CCC2=CCCCC2)c([N+](=O)[O-])cc1OC ZINC000237143693 1013286147 /nfs/dbraw/zinc/28/61/47/1013286147.db2.gz RDTYIJHASYSLMX-UHFFFAOYSA-N 1 0 320.389 3.592 20 5 DHBDRO O=[N+]([O-])c1cccnc1Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000007139592 1013410626 /nfs/dbraw/zinc/41/06/26/1013410626.db2.gz CQEAKYGDHQKVNE-UHFFFAOYSA-N 1 0 323.356 3.810 20 5 DHBDRO C[N@H+](CCCNc1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000302872340 1013560976 /nfs/dbraw/zinc/56/09/76/1013560976.db2.gz OKJZGLRMAQWTLO-UHFFFAOYSA-N 1 0 317.364 3.668 20 5 DHBDRO CCC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000247231037 1013596156 /nfs/dbraw/zinc/59/61/56/1013596156.db2.gz WYXAAPKRSGRUGG-FRFSOERESA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1c(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000441434350 1013834306 /nfs/dbraw/zinc/83/43/06/1013834306.db2.gz JJFWNTXNORIKMJ-QGZVFWFLSA-N 1 0 318.417 3.827 20 5 DHBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000441460676 1013908566 /nfs/dbraw/zinc/90/85/66/1013908566.db2.gz DRGBQTWIJKALKZ-KEYYUXOJSA-N 1 0 304.390 3.627 20 5 DHBDRO Cc1ccc(CN(C)Cc2cc(Cl)cn2C)cc1[N+](=O)[O-] ZINC000091930738 1014095188 /nfs/dbraw/zinc/09/51/88/1014095188.db2.gz WORPODAVGIUYTO-UHFFFAOYSA-N 1 0 307.781 3.527 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1C[C@H]1c1ccccc1 ZINC000580602331 1014246905 /nfs/dbraw/zinc/24/69/05/1014246905.db2.gz FZBXVNDDHYIXQW-MSOLQXFVSA-N 1 0 310.397 3.873 20 5 DHBDRO CC[C@@H](C)C[N@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177846134 1014414427 /nfs/dbraw/zinc/41/44/27/1014414427.db2.gz CPDQITPGKUSDPX-GFCCVEGCSA-N 1 0 318.377 3.513 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000053123330 1014444465 /nfs/dbraw/zinc/44/44/65/1014444465.db2.gz MOOPOOMKRGAJCO-UHFFFAOYSA-N 1 0 321.421 3.646 20 5 DHBDRO CC1(C)C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000588395323 1014466144 /nfs/dbraw/zinc/46/61/44/1014466144.db2.gz NPMWMQFQWFDYAW-VIHMKRCTSA-N 1 0 304.390 3.544 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)CCc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000323075540 1014549941 /nfs/dbraw/zinc/54/99/41/1014549941.db2.gz RHDGNJVUQPDDGL-CYBMUJFWSA-N 1 0 314.385 3.720 20 5 DHBDRO O=[N+]([O-])c1ccccc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000520826165 1014596395 /nfs/dbraw/zinc/59/63/95/1014596395.db2.gz CYBATUTUQXKQDE-UHFFFAOYSA-N 1 0 311.385 3.977 20 5 DHBDRO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccc(C)o1 ZINC000610485007 1014604556 /nfs/dbraw/zinc/60/45/56/1014604556.db2.gz KDYIHXARQYYYKC-CQSZACIVSA-N 1 0 320.393 3.556 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC2(CCO)CCCCC2)cccc1[N+](=O)[O-] ZINC000165647098 1014776867 /nfs/dbraw/zinc/77/68/67/1014776867.db2.gz CKYWWQUTGKWNIW-HNNXBMFYSA-N 1 0 320.433 3.887 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ncccc23)cc1[N+](=O)[O-] ZINC000358345842 1015020991 /nfs/dbraw/zinc/02/09/91/1015020991.db2.gz PGAVCGZXQKNCQP-CYBMUJFWSA-N 1 0 324.384 3.673 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H](CF)C3)cs2)c1 ZINC000895574769 1015207089 /nfs/dbraw/zinc/20/70/89/1015207089.db2.gz ZOFACDVOTBQMTP-NSHDSACASA-N 1 0 321.377 3.510 20 5 DHBDRO COc1ccc(C[NH2+]CC(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000237330992 1015296038 /nfs/dbraw/zinc/29/60/38/1015296038.db2.gz HNOVGSYAQQWQMT-UHFFFAOYSA-N 1 0 314.385 3.671 20 5 DHBDRO Cc1cc(NC[C@@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000051234148 1015345367 /nfs/dbraw/zinc/34/53/67/1015345367.db2.gz OGZCLCNTHQREJO-AWEZNQCLSA-N 1 0 305.403 3.680 20 5 DHBDRO C[N@@H+](C/C=C/c1ccc(F)cc1)CCc1cccc([N+](=O)[O-])c1 ZINC000581837553 1015367306 /nfs/dbraw/zinc/36/73/06/1015367306.db2.gz YHKFFZJTSCUDMM-HWKANZROSA-N 1 0 314.360 3.922 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CCSCC1 ZINC000187560819 1015532189 /nfs/dbraw/zinc/53/21/89/1015532189.db2.gz KYJLYCIDFKVWJY-SNVBAGLBSA-N 1 0 314.838 3.870 20 5 DHBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000474925493 1015707980 /nfs/dbraw/zinc/70/79/80/1015707980.db2.gz WKZHGBINFKQJRH-DOMZBBRYSA-N 1 0 312.797 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](c3ccccc3)C3CC3)nc2c1 ZINC000341849272 1015770181 /nfs/dbraw/zinc/77/01/81/1015770181.db2.gz ZECFPIQNGBGIKN-GOSISDBHSA-N 1 0 322.368 3.712 20 5 DHBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000065208930 1015971913 /nfs/dbraw/zinc/97/19/13/1015971913.db2.gz HQXBPFKLKZISGC-UHFFFAOYSA-N 1 0 306.387 3.557 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1nc(C)sc1C ZINC000611012314 1016013435 /nfs/dbraw/zinc/01/34/35/1016013435.db2.gz MAYLVTMUJSOUIE-SECBINFHSA-N 1 0 321.402 3.528 20 5 DHBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(Cl)nc1 ZINC000255437043 1016060931 /nfs/dbraw/zinc/06/09/31/1016060931.db2.gz LNDXSKIUWWCVKI-XQRVVYSFSA-N 1 0 317.776 3.788 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000361886932 1032142014 /nfs/dbraw/zinc/14/20/14/1032142014.db2.gz BAALADOJAMJIBP-YOEHRIQHSA-N 1 0 314.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1cccs1)C1CC1 ZINC000051421400 1016342338 /nfs/dbraw/zinc/34/23/38/1016342338.db2.gz BVDWGUQKCSPDMA-UHFFFAOYSA-N 1 0 318.398 3.700 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346844912 1016602093 /nfs/dbraw/zinc/60/20/93/1016602093.db2.gz YVNKIFUYOPBIRA-XYPHTWIQSA-N 1 0 305.422 3.508 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000178564567 1016642231 /nfs/dbraw/zinc/64/22/31/1016642231.db2.gz HWTQNKHXJVZTAY-MEDUHNTESA-N 1 0 320.776 3.632 20 5 DHBDRO COC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC(C)CC1 ZINC000475425688 1017213889 /nfs/dbraw/zinc/21/38/89/1017213889.db2.gz TVCHZWWOPREZIO-UHFFFAOYSA-N 1 0 306.406 3.588 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000361980508 1032180582 /nfs/dbraw/zinc/18/05/82/1032180582.db2.gz KTNVMQCDPLEFKN-KKXDTOCCSA-N 1 0 317.433 3.508 20 5 DHBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[C@@H](C)C1 ZINC000362160759 1032255022 /nfs/dbraw/zinc/25/50/22/1032255022.db2.gz YMLDXURRYRPCIQ-CZUORRHYSA-N 1 0 306.406 3.540 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000248727456 1017286032 /nfs/dbraw/zinc/28/60/32/1017286032.db2.gz NNFAIGJFRIGYQR-YYIAUSFCSA-N 1 0 316.401 3.593 20 5 DHBDRO Cc1ncc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000773083073 1032552328 /nfs/dbraw/zinc/55/23/28/1032552328.db2.gz SEPLTKVTZHNQGL-LLVKDONJSA-N 1 0 305.403 3.561 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000773134790 1032569081 /nfs/dbraw/zinc/56/90/81/1032569081.db2.gz BGBOKBGROSKAQY-PUPMMZHASA-N 1 0 324.471 3.625 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC34CC4)o2)c([N+](=O)[O-])c1 ZINC000424184567 1011931866 /nfs/dbraw/zinc/93/18/66/1011931866.db2.gz MWPVPWFMXJULCZ-INIZCTEOSA-N 1 0 314.341 3.506 20 5 DHBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000320195619 1012075641 /nfs/dbraw/zinc/07/56/41/1012075641.db2.gz QFSHKMBGLHXUIK-SNVBAGLBSA-N 1 0 319.327 3.754 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000610216165 1012432452 /nfs/dbraw/zinc/43/24/52/1012432452.db2.gz SWXDJUSTEQOPHE-UHFFFAOYSA-N 1 0 304.390 3.630 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000430216820 1012454876 /nfs/dbraw/zinc/45/48/76/1012454876.db2.gz IFPJWAGULJXYGO-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000036997536 1032628347 /nfs/dbraw/zinc/62/83/47/1032628347.db2.gz WTNOTXCGXPAJQP-LBPRGKRZSA-N 1 0 304.777 3.969 20 5 DHBDRO CC(C)[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425403165 1012576605 /nfs/dbraw/zinc/57/66/05/1012576605.db2.gz HWCGYXCUAPAPBH-UHFFFAOYSA-N 1 0 313.195 3.730 20 5 DHBDRO CCCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[C@H](C)C1 ZINC000339646870 1012721532 /nfs/dbraw/zinc/72/15/32/1012721532.db2.gz LCOIFOWSGSQSEA-UONOGXRCSA-N 1 0 308.426 3.509 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CCO)CC(C)C)cc1[N+](=O)[O-] ZINC000154637942 1012868894 /nfs/dbraw/zinc/86/88/94/1012868894.db2.gz JPTFDDHGKGSTQY-GJZGRUSLSA-N 1 0 308.422 3.599 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000516998807 1012886932 /nfs/dbraw/zinc/88/69/32/1012886932.db2.gz BWMWRJGDSSZVDW-IBGZPJMESA-N 1 0 324.380 3.565 20 5 DHBDRO CC[C@@H](C)[NH2+][C@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000557695951 1012972395 /nfs/dbraw/zinc/97/23/95/1012972395.db2.gz WZLDYXAPDXJPCO-DGCLKSJQSA-N 1 0 321.352 3.868 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1Cl ZINC000783575280 1017195719 /nfs/dbraw/zinc/19/57/19/1017195719.db2.gz WZGAQDYRMIQLBQ-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000163252449 1017488810 /nfs/dbraw/zinc/48/88/10/1017488810.db2.gz OEBBXXATPSEJIO-ROUUACIJSA-N 1 0 314.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000179103021 1017509456 /nfs/dbraw/zinc/50/94/56/1017509456.db2.gz VVQLWUJRBMEKFM-QGZVFWFLSA-N 1 0 300.333 3.975 20 5 DHBDRO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000444687484 1017630696 /nfs/dbraw/zinc/63/06/96/1017630696.db2.gz GMPZKISPAQSYST-UHFFFAOYSA-N 1 0 316.386 3.558 20 5 DHBDRO CCC[C@H]([NH2+]Cc1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000268907677 1017838875 /nfs/dbraw/zinc/83/88/75/1017838875.db2.gz SKLBSOADOUPWEV-SFHVURJKSA-N 1 0 314.385 3.718 20 5 DHBDRO Cc1nc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000040675946 1018232105 /nfs/dbraw/zinc/23/21/05/1018232105.db2.gz ZAPRQZOSTTXLSL-JTQLQIEISA-N 1 0 305.403 3.561 20 5 DHBDRO CC(C)C1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446830590 1018261551 /nfs/dbraw/zinc/26/15/51/1018261551.db2.gz UMXGPDNZZDOOGS-UHFFFAOYSA-N 1 0 316.405 3.776 20 5 DHBDRO Cc1nc(F)ccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000785477204 1018300032 /nfs/dbraw/zinc/30/00/32/1018300032.db2.gz MMTXJZCIIJIDFB-UHFFFAOYSA-N 1 0 317.364 3.550 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000525636756 1018342446 /nfs/dbraw/zinc/34/24/46/1018342446.db2.gz KOFLTBJKNKTZKS-GOSISDBHSA-N 1 0 310.397 3.702 20 5 DHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCC2CCCC2)n1 ZINC000447531938 1018407690 /nfs/dbraw/zinc/40/76/90/1018407690.db2.gz RJZFOPWCZSWNFZ-JKSUJKDBSA-N 1 0 320.437 3.835 20 5 DHBDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537990 1018412674 /nfs/dbraw/zinc/41/26/74/1018412674.db2.gz ACSVKNPOJHACCQ-MSOLQXFVSA-N 1 0 320.433 3.749 20 5 DHBDRO CCCC[C@@H](COC)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447546031 1018417291 /nfs/dbraw/zinc/41/72/91/1018417291.db2.gz ZRFWWQABPGOTNX-YOEHRIQHSA-N 1 0 306.406 3.767 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000174446302 1018429128 /nfs/dbraw/zinc/42/91/28/1018429128.db2.gz FRESGFQMLAUFOD-GFCCVEGCSA-N 1 0 320.389 3.520 20 5 DHBDRO CCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447589385 1018431437 /nfs/dbraw/zinc/43/14/37/1018431437.db2.gz XSZKOSPFNATCTG-GJZGRUSLSA-N 1 0 320.437 3.835 20 5 DHBDRO COC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000447594615 1018434060 /nfs/dbraw/zinc/43/40/60/1018434060.db2.gz HCERHWBWWINHKU-QGZVFWFLSA-N 1 0 318.417 3.911 20 5 DHBDRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000583591817 1018580386 /nfs/dbraw/zinc/58/03/86/1018580386.db2.gz HGSWNQPNQLCYGT-RYUDHWBXSA-N 1 0 304.394 3.776 20 5 DHBDRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000583591816 1018581427 /nfs/dbraw/zinc/58/14/27/1018581427.db2.gz HGSWNQPNQLCYGT-NWDGAFQWSA-N 1 0 304.394 3.776 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000340442698 1018610389 /nfs/dbraw/zinc/61/03/89/1018610389.db2.gz CXTDWLOQHMAWAV-INIZCTEOSA-N 1 0 316.332 3.737 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C1CCCCC1)CCC2 ZINC000583686991 1018630352 /nfs/dbraw/zinc/63/03/52/1018630352.db2.gz BJCXHYQOLPKZQN-MSOLQXFVSA-N 1 0 318.417 3.503 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc([C@@H](C)O)cc1 ZINC000765305428 1018752091 /nfs/dbraw/zinc/75/20/91/1018752091.db2.gz PFVWJVUIQUNRJI-ZIAGYGMSSA-N 1 0 314.385 3.807 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1F ZINC000340511849 1018895804 /nfs/dbraw/zinc/89/58/04/1018895804.db2.gz IZYTUWPJGHNCNM-SNVBAGLBSA-N 1 0 323.755 3.676 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCC3)cc1[N+](=O)[O-] ZINC000921818803 1018903556 /nfs/dbraw/zinc/90/35/56/1018903556.db2.gz RDRSILUNKCVYGL-ZDUSSCGKSA-N 1 0 312.369 3.689 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)c1 ZINC000921834964 1018927304 /nfs/dbraw/zinc/92/73/04/1018927304.db2.gz KLORVXBMIOJHTK-SGMGOOAPSA-N 1 0 324.808 3.543 20 5 DHBDRO Cc1c(C[NH2+][C@]2(C)CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000923024980 1018990771 /nfs/dbraw/zinc/99/07/71/1018990771.db2.gz LUVWKTABPLZCAB-GOSISDBHSA-N 1 0 312.369 3.691 20 5 DHBDRO CC[C@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001168693466 1019068102 /nfs/dbraw/zinc/06/81/02/1019068102.db2.gz MNEJLQUTXYUCQK-KBPBESRZSA-N 1 0 323.437 3.772 20 5 DHBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)C(C)C ZINC000065298521 1019322574 /nfs/dbraw/zinc/32/25/74/1019322574.db2.gz AUBWCLWOEXTDSF-GFCCVEGCSA-N 1 0 318.377 3.511 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000601306761 1019346031 /nfs/dbraw/zinc/34/60/31/1019346031.db2.gz QMXSEEMXUOSLTB-FBIMIBRVSA-N 1 0 318.295 3.595 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000153478345 1019409268 /nfs/dbraw/zinc/40/92/68/1019409268.db2.gz XKGVKZHMLJIKDP-GFCCVEGCSA-N 1 0 316.357 3.550 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2cccnc2)CC1 ZINC000611258706 1019424840 /nfs/dbraw/zinc/42/48/40/1019424840.db2.gz FCDJVOCWLZLWKW-CQSZACIVSA-N 1 0 311.385 3.930 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000611350312 1019451513 /nfs/dbraw/zinc/45/15/13/1019451513.db2.gz ICCQPDDBOPEGOT-CVEARBPZSA-N 1 0 318.417 3.542 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000611509696 1019507119 /nfs/dbraw/zinc/50/71/19/1019507119.db2.gz FOHRZCDVJDHIDK-UONOGXRCSA-N 1 0 323.462 3.747 20 5 DHBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000114489165 1019513827 /nfs/dbraw/zinc/51/38/27/1019513827.db2.gz YNVAEKBYVMBAJG-OAHLLOKOSA-N 1 0 302.399 3.646 20 5 DHBDRO Cc1c([C@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000480552816 1019749453 /nfs/dbraw/zinc/74/94/53/1019749453.db2.gz KLYOJVRHFOVQPI-YJBOKZPZSA-N 1 0 319.449 3.674 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000765768403 1019812236 /nfs/dbraw/zinc/81/22/36/1019812236.db2.gz OIVLJFWLIFUIRC-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000316898509 1019945622 /nfs/dbraw/zinc/94/56/22/1019945622.db2.gz ZBNBRYCPECSUDZ-LXZKKBNFSA-N 1 0 305.422 3.508 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(F)cn1 ZINC000318368548 1020041358 /nfs/dbraw/zinc/04/13/58/1020041358.db2.gz AUUZZBOVOHOUDX-CQSZACIVSA-N 1 0 303.337 3.678 20 5 DHBDRO C[C@H]1CC[C@H](C)[NH+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000123356296 1020062226 /nfs/dbraw/zinc/06/22/26/1020062226.db2.gz XKIWGBWQLOWNHC-STQMWFEESA-N 1 0 315.373 3.665 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000922424075 1020066102 /nfs/dbraw/zinc/06/61/02/1020066102.db2.gz KYTOTPICHYWASH-BGVWEBJGSA-N 1 0 318.442 3.872 20 5 DHBDRO C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000922538003 1020117594 /nfs/dbraw/zinc/11/75/94/1020117594.db2.gz MLTARGRPGVUIPB-SNVBAGLBSA-N 1 0 303.387 3.780 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000555228830 1020152741 /nfs/dbraw/zinc/15/27/41/1020152741.db2.gz KJLHZRFVCSRQDS-YGRLFVJLSA-N 1 0 310.419 3.538 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154974325 1020173720 /nfs/dbraw/zinc/17/37/20/1020173720.db2.gz RLTTZGPSNGDIME-CQSZACIVSA-N 1 0 305.422 3.510 20 5 DHBDRO CC(C)OC1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155160637 1020195520 /nfs/dbraw/zinc/19/55/20/1020195520.db2.gz MKVRZLUEFNIMFV-KTAKPFMOSA-N 1 0 306.406 3.982 20 5 DHBDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000155219512 1020200281 /nfs/dbraw/zinc/20/02/81/1020200281.db2.gz DKSOLMSEWJAGAH-MRXNPFEDSA-N 1 0 312.369 3.593 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000124751470 1020219910 /nfs/dbraw/zinc/21/99/10/1020219910.db2.gz CNUNJHMFXCADLR-APHBMKBZSA-N 1 0 304.390 3.593 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000124957873 1020245224 /nfs/dbraw/zinc/24/52/24/1020245224.db2.gz NDCTVGFQOSJLAY-PWXKEOIMSA-N 1 0 304.390 3.511 20 5 DHBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c[nH]nc2c1 ZINC000179320219 1020251796 /nfs/dbraw/zinc/25/17/96/1020251796.db2.gz FUWUCAFYNPWTKV-UHFFFAOYSA-N 1 0 324.384 3.882 20 5 DHBDRO CC[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000155632501 1020255006 /nfs/dbraw/zinc/25/50/06/1020255006.db2.gz RQKOKSYHYCDQTE-OAHLLOKOSA-N 1 0 322.405 3.757 20 5 DHBDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155801202 1020273982 /nfs/dbraw/zinc/27/39/82/1020273982.db2.gz MMXSKTOQQZTWOD-WMLDXEAASA-N 1 0 314.385 3.503 20 5 DHBDRO CC(C)[NH+](CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000155837783 1020277672 /nfs/dbraw/zinc/27/76/72/1020277672.db2.gz CTGAXLKVAPQYRG-OAHLLOKOSA-N 1 0 307.438 3.754 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000922838568 1020303761 /nfs/dbraw/zinc/30/37/61/1020303761.db2.gz TXMOTFOUAMQOBN-ONGXEEELSA-N 1 0 300.811 3.622 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000122922221 1020304399 /nfs/dbraw/zinc/30/43/99/1020304399.db2.gz IPYMKDIUORSNMV-UONOGXRCSA-N 1 0 314.385 3.891 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000281038460 1020323019 /nfs/dbraw/zinc/32/30/19/1020323019.db2.gz PWEAWKPTHJLBPH-RCCFBDPRSA-N 1 0 318.417 3.500 20 5 DHBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000766004096 1020333950 /nfs/dbraw/zinc/33/39/50/1020333950.db2.gz CQAMNHFVMXNNTH-CHWSQXEVSA-N 1 0 321.421 3.584 20 5 DHBDRO CS[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000612194712 1020391777 /nfs/dbraw/zinc/39/17/77/1020391777.db2.gz NBOVDNLGBFJUEL-ZDUSSCGKSA-N 1 0 300.399 3.601 20 5 DHBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000298679106 1020421647 /nfs/dbraw/zinc/42/16/47/1020421647.db2.gz FCSNPPQDVCXHGE-ZDUSSCGKSA-N 1 0 300.358 3.768 20 5 DHBDRO CCC1CCC([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000236645275 1020598057 /nfs/dbraw/zinc/59/80/57/1020598057.db2.gz WFWDUHYZYWEJBO-UHFFFAOYSA-N 1 0 322.405 3.670 20 5 DHBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738052953 1020860181 /nfs/dbraw/zinc/86/01/81/1020860181.db2.gz FZALQAWPUPFYBG-CJNGLKHVSA-N 1 0 316.405 3.803 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000414237799 1021023248 /nfs/dbraw/zinc/02/32/48/1021023248.db2.gz WWZLBPQUGFOBBA-IGCXYCKISA-N 1 0 306.406 3.757 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000741790585 1021054253 /nfs/dbraw/zinc/05/42/53/1021054253.db2.gz HTZDGKDWEQBBRR-OAHLLOKOSA-N 1 0 314.360 3.799 20 5 DHBDRO C[C@H]1Cc2ccccc2CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000741796964 1021055414 /nfs/dbraw/zinc/05/54/14/1021055414.db2.gz HCIDWKBDDXPFBB-LBPRGKRZSA-N 1 0 300.333 3.681 20 5 DHBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1Cl ZINC000742418217 1021118148 /nfs/dbraw/zinc/11/81/48/1021118148.db2.gz ABAPPEXZCZCEOR-LBPRGKRZSA-N 1 0 311.813 3.559 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CC2CCCCC2)C2CC2)cc1 ZINC000776277390 1021209419 /nfs/dbraw/zinc/20/94/19/1021209419.db2.gz OENRMYMTZIQWRX-GOSISDBHSA-N 1 0 318.417 3.673 20 5 DHBDRO Cc1[nH+]c2c(n1Cc1ccc([N+](=O)[O-])cc1Cl)CCCC2 ZINC000130513881 1021260075 /nfs/dbraw/zinc/26/00/75/1021260075.db2.gz WFXQNIHWUDBRNP-UHFFFAOYSA-N 1 0 305.765 3.680 20 5 DHBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H]3C3CCCC3)c2c1 ZINC000917619741 1021325168 /nfs/dbraw/zinc/32/51/68/1021325168.db2.gz MRGIEIVMPOYMTG-INIZCTEOSA-N 1 0 314.389 3.557 20 5 DHBDRO Cc1csc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000618562542 1021424929 /nfs/dbraw/zinc/42/49/29/1021424929.db2.gz CJEONDIHANASJO-OAHLLOKOSA-N 1 0 317.414 3.569 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1Cc3ccccc31)CCC2 ZINC000618567704 1021426412 /nfs/dbraw/zinc/42/64/12/1021426412.db2.gz CBKGCMLJYFYPEY-KXBFYZLASA-N 1 0 308.381 3.902 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1Cc3ccccc31)CCC2 ZINC000618567698 1021426686 /nfs/dbraw/zinc/42/66/86/1021426686.db2.gz CBKGCMLJYFYPEY-HNAYVOBHSA-N 1 0 308.381 3.902 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000090857973 1021492685 /nfs/dbraw/zinc/49/26/85/1021492685.db2.gz RFZGHDNCEVCVRH-DUVNUKRYSA-N 1 0 322.405 3.602 20 5 DHBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154728790 1021522244 /nfs/dbraw/zinc/52/22/44/1021522244.db2.gz AVSCHGWBJOARES-NSHDSACASA-N 1 0 300.811 3.576 20 5 DHBDRO COc1cccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c1C ZINC000850417255 1021522935 /nfs/dbraw/zinc/52/29/35/1021522935.db2.gz XRPIFPPKGFCLIU-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1COC3(CCC3)C1)CCCC2 ZINC000850524038 1021576886 /nfs/dbraw/zinc/57/68/86/1021576886.db2.gz SQUZAROOCQVMAU-RHSMWYFYSA-N 1 0 316.401 3.664 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850530188 1021582181 /nfs/dbraw/zinc/58/21/81/1021582181.db2.gz WMQYCLQGMODCQI-XZOAIXRZSA-N 1 0 312.369 3.732 20 5 DHBDRO Cc1c(C[NH2+]Cc2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000236764572 1021766607 /nfs/dbraw/zinc/76/66/07/1021766607.db2.gz PCNRIGRCEZCWTH-UHFFFAOYSA-N 1 0 314.385 3.980 20 5 DHBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC(C)(C)C1 ZINC000619515272 1021780837 /nfs/dbraw/zinc/78/08/37/1021780837.db2.gz GHPYOSCPBXKPRJ-LBPRGKRZSA-N 1 0 303.362 3.747 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000290319451 1021790057 /nfs/dbraw/zinc/79/00/57/1021790057.db2.gz ODUQEVFCWGBEFD-UKRRQHHQSA-N 1 0 312.369 3.730 20 5 DHBDRO C[C@H](COc1ccccc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746047984 1021835055 /nfs/dbraw/zinc/83/50/55/1021835055.db2.gz ADLDBGINODGNGU-ZIAGYGMSSA-N 1 0 300.358 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000170907062 1021881743 /nfs/dbraw/zinc/88/17/43/1021881743.db2.gz IAUATDQFZOMRIN-UHFFFAOYSA-N 1 0 300.333 3.903 20 5 DHBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000290421417 1021993816 /nfs/dbraw/zinc/99/38/16/1021993816.db2.gz KRPGBEQJNXKRHL-MRXNPFEDSA-N 1 0 314.389 3.580 20 5 DHBDRO Cc1cc(NCCCCCCC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000746389553 1022058027 /nfs/dbraw/zinc/05/80/27/1022058027.db2.gz MAPQZHIKFAMKMB-UHFFFAOYSA-N 1 0 320.437 3.756 20 5 DHBDRO CCCCC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587921 1022102645 /nfs/dbraw/zinc/10/26/45/1022102645.db2.gz ZMYPCGMBHYZMJH-NVXWUHKLSA-N 1 0 306.406 3.673 20 5 DHBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000183350502 1022112808 /nfs/dbraw/zinc/11/28/08/1022112808.db2.gz SWCYZBLUQWQQIA-GOSISDBHSA-N 1 0 311.385 3.944 20 5 DHBDRO CCC(CC)[N@H+](CC(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588730 1022115292 /nfs/dbraw/zinc/11/52/92/1022115292.db2.gz BJCMOVJJRHLWSM-KRWDZBQOSA-N 1 0 308.422 3.775 20 5 DHBDRO COc1ccccc1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183461510 1022148560 /nfs/dbraw/zinc/14/85/60/1022148560.db2.gz JQUHAFCOUZAXOA-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)CSC)cc1[N+](=O)[O-] ZINC000183523166 1022167761 /nfs/dbraw/zinc/16/77/61/1022167761.db2.gz DVAPBICWDCQUMS-YPMHNXCESA-N 1 0 312.435 3.786 20 5 DHBDRO CC(C)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168981257 1022199482 /nfs/dbraw/zinc/19/94/82/1022199482.db2.gz GWXZITGGOQWSHY-ZQIUZPCESA-N 1 0 308.397 3.948 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC001168958761 1022200544 /nfs/dbraw/zinc/20/05/44/1022200544.db2.gz PGWWUXOKDDXLPS-NXEZZACHSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC001168958321 1022200792 /nfs/dbraw/zinc/20/07/92/1022200792.db2.gz MRYSBMVCTYWCDB-MAUKXSAKSA-N 1 0 310.397 3.811 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)C1 ZINC001168967377 1022203020 /nfs/dbraw/zinc/20/30/20/1022203020.db2.gz PJMJDDSBGVYBBE-XLIONFOSSA-N 1 0 324.424 3.931 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC001168968183 1022203733 /nfs/dbraw/zinc/20/37/33/1022203733.db2.gz XHCBNNQHOAJROW-MWLCHTKSSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC001168965981 1022203832 /nfs/dbraw/zinc/20/38/32/1022203832.db2.gz FJGXUWRPMHIBFW-APWZRJJASA-N 1 0 310.397 3.889 20 5 DHBDRO Cc1cc(Cl)cc(Cl)c1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168973893 1022205590 /nfs/dbraw/zinc/20/55/90/1022205590.db2.gz PIGAXFUQNCKOIP-JQWIXIFHSA-N 1 0 317.216 3.837 20 5 DHBDRO Cc1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168973891 1022205775 /nfs/dbraw/zinc/20/57/75/1022205775.db2.gz PIGAXFUQNCKOIP-CMPLNLGQSA-N 1 0 317.216 3.837 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCCc2ccc(Cl)cc2)C1 ZINC001168998501 1022209461 /nfs/dbraw/zinc/20/94/61/1022209461.db2.gz NTWWCNVXPKSVBU-HOCLYGCPSA-N 1 0 310.825 3.698 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CC2)c2ccc(F)cc2)C1 ZINC001168997565 1022210900 /nfs/dbraw/zinc/21/09/00/1022210900.db2.gz DLZHWHUKDLZKSI-COXVUDFISA-N 1 0 306.381 3.702 20 5 DHBDRO C[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005946 1022212117 /nfs/dbraw/zinc/21/21/17/1022212117.db2.gz DKNYITMXFMWXRM-ZWNOBZJWSA-N 1 0 317.216 3.871 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC001169006384 1022212217 /nfs/dbraw/zinc/21/22/17/1022212217.db2.gz HHOVNWJPRXSFGP-CSMYWGQOSA-N 1 0 322.836 3.869 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C(c2cccs2)c2cccs2)C1 ZINC001169008032 1022213155 /nfs/dbraw/zinc/21/31/55/1022213155.db2.gz QWNPKMXPDNZEAI-NWDGAFQWSA-N 1 0 322.455 3.934 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3cccc(Cl)c3)CC2)C1 ZINC001169011560 1022214745 /nfs/dbraw/zinc/21/47/45/1022214745.db2.gz KZIRHQBBRVCFSM-DYVFJYSZSA-N 1 0 322.836 3.965 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001169038489 1022221106 /nfs/dbraw/zinc/22/11/06/1022221106.db2.gz ZDQDLMOLRKYMBW-PVXIVEMSSA-N 1 0 310.344 3.547 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001169039255 1022222274 /nfs/dbraw/zinc/22/22/74/1022222274.db2.gz OPOQLNQEQRNXCK-XYJFISCASA-N 1 0 320.408 3.526 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169144465 1022274435 /nfs/dbraw/zinc/27/44/35/1022274435.db2.gz MJFVCYUWSLFQER-DYVFJYSZSA-N 1 0 305.422 3.859 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1F ZINC001169153830 1022285796 /nfs/dbraw/zinc/28/57/96/1022285796.db2.gz USCVCIKHSONXRF-YVEFUNNKSA-N 1 0 323.412 3.998 20 5 DHBDRO COc1ccc(C2([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000538393360 1033051967 /nfs/dbraw/zinc/05/19/67/1033051967.db2.gz ZKPNXERDBPHYMM-GQCTYLIASA-N 1 0 324.380 3.896 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000090809761 1022462293 /nfs/dbraw/zinc/46/22/93/1022462293.db2.gz ZKPSSWJNOMFFLF-BBRMVZONSA-N 1 0 308.422 3.597 20 5 DHBDRO C[NH+](C)CCC(C)(C)Nc1ncnc2cc3ccccc3cc21 ZINC001169716742 1022516689 /nfs/dbraw/zinc/51/66/89/1022516689.db2.gz VWQXYJXYFQBIAQ-UHFFFAOYSA-N 1 0 308.429 3.925 20 5 DHBDRO CCC1(O)CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000615727229 1022546360 /nfs/dbraw/zinc/54/63/60/1022546360.db2.gz BNQLSALMYLJOFR-KAMYIIQDSA-N 1 0 318.417 3.671 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000509436466 1022559223 /nfs/dbraw/zinc/55/92/23/1022559223.db2.gz CCXQFZOPLHMLOR-JZLODUJNSA-N 1 0 324.380 3.591 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(C(F)F)CC1)CCCC2 ZINC000417326059 1022687337 /nfs/dbraw/zinc/68/73/37/1022687337.db2.gz FWLSYSUVEBAIPD-AWEZNQCLSA-N 1 0 310.344 3.997 20 5 DHBDRO CC(C)(C)OCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000584876798 1022836907 /nfs/dbraw/zinc/83/69/07/1022836907.db2.gz XCKOIJLUWFXOFV-HNNXBMFYSA-N 1 0 306.406 3.722 20 5 DHBDRO CC(C)NC(=O)C[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC000768204001 1022916693 /nfs/dbraw/zinc/91/66/93/1022916693.db2.gz MKGJJSXZCKKRGB-UHFFFAOYSA-N 1 0 320.436 3.949 20 5 DHBDRO C[C@@H](NCC[C@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184505994 1022944719 /nfs/dbraw/zinc/94/47/19/1022944719.db2.gz QWSOOZXFRXUZIN-LSDHHAIUSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@H](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000184503510 1022946226 /nfs/dbraw/zinc/94/62/26/1022946226.db2.gz IBGDRLGLWZZFRD-CABCVRRESA-N 1 0 305.422 3.510 20 5 DHBDRO COCCCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000418136293 1022968741 /nfs/dbraw/zinc/96/87/41/1022968741.db2.gz QFNKIWIDPRFIOX-UHFFFAOYSA-N 1 0 318.373 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCc1nccs1)CCC2 ZINC000278831181 1022993044 /nfs/dbraw/zinc/99/30/44/1022993044.db2.gz UAODAMKXCDWCTO-HNNXBMFYSA-N 1 0 317.414 3.651 20 5 DHBDRO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccn1 ZINC000769034450 1023073559 /nfs/dbraw/zinc/07/35/59/1023073559.db2.gz QEEBJMRXELRZEL-CLFYSBASSA-N 1 0 311.385 3.568 20 5 DHBDRO c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCC2(C1)OCCO2 ZINC000769311419 1023119550 /nfs/dbraw/zinc/11/95/50/1023119550.db2.gz PWQDGMXHKZCDDD-UHFFFAOYSA-N 1 0 319.404 3.942 20 5 DHBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC000769569800 1023182469 /nfs/dbraw/zinc/18/24/69/1023182469.db2.gz VYJMIIAJEDCPQC-HNNXBMFYSA-N 1 0 320.436 3.807 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000770097977 1023273297 /nfs/dbraw/zinc/27/32/97/1023273297.db2.gz CMERUWKRMZNXCI-LBPRGKRZSA-N 1 0 311.813 3.523 20 5 DHBDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000047611439 1023359179 /nfs/dbraw/zinc/35/91/79/1023359179.db2.gz XDKIOGIGFWUHMT-UHFFFAOYSA-N 1 0 300.358 3.626 20 5 DHBDRO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000108098198 1023524673 /nfs/dbraw/zinc/52/46/73/1023524673.db2.gz FCNZSKYUEHMEHF-KRWDZBQOSA-N 1 0 311.385 3.590 20 5 DHBDRO Cc1ccccc1OCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788469898 1023889985 /nfs/dbraw/zinc/88/99/85/1023889985.db2.gz JJECIJFWFHGCPI-UHFFFAOYSA-N 1 0 318.348 3.553 20 5 DHBDRO CCC[C@H]([NH2+]CC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000692849860 1023891187 /nfs/dbraw/zinc/89/11/87/1023891187.db2.gz FMBMARSNGURHOS-ZDUSSCGKSA-N 1 0 312.460 3.832 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788481847 1023892166 /nfs/dbraw/zinc/89/21/66/1023892166.db2.gz JNMRUESFQDZGHO-QWHCGFSZSA-N 1 0 312.410 3.840 20 5 DHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788627102 1023915768 /nfs/dbraw/zinc/91/57/68/1023915768.db2.gz LWMMVXWFNMPIJO-DIOULYMOSA-N 1 0 323.462 3.892 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000249047946 1023916982 /nfs/dbraw/zinc/91/69/82/1023916982.db2.gz WSKLLOWXUWFWNC-IFOZYUSPSA-N 1 0 304.390 3.518 20 5 DHBDRO C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788642846 1023917352 /nfs/dbraw/zinc/91/73/52/1023917352.db2.gz DZYAFQGVQJSSPY-QWRGUYRKSA-N 1 0 305.403 3.520 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC(C)(C)C)CC1 ZINC000268311861 1024099557 /nfs/dbraw/zinc/09/95/57/1024099557.db2.gz QKZPTJAFAIFVFR-CYBMUJFWSA-N 1 0 306.406 3.935 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000268806046 1024166466 /nfs/dbraw/zinc/16/64/66/1024166466.db2.gz RWLPYPQHDHOSCW-IAGOWNOFSA-N 1 0 318.348 3.508 20 5 DHBDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268905352 1024191723 /nfs/dbraw/zinc/19/17/23/1024191723.db2.gz LRXWVSSTXAUUGM-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000269061975 1024231015 /nfs/dbraw/zinc/23/10/15/1024231015.db2.gz XZDNDUYFCUNWLD-ONGXEEELSA-N 1 0 320.311 3.521 20 5 DHBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269682201 1024303086 /nfs/dbraw/zinc/30/30/86/1024303086.db2.gz RIPQAVBZCRBMOA-MSOLQXFVSA-N 1 0 314.385 3.615 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCc2c1cccc2O ZINC000105486805 1024390941 /nfs/dbraw/zinc/39/09/41/1024390941.db2.gz DPUHZWBWGPHMQI-NBUZRDOWSA-N 1 0 310.353 3.591 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883353355 1024400675 /nfs/dbraw/zinc/40/06/75/1024400675.db2.gz SWFWWIGLRONIMT-SCRDCRAPSA-N 1 0 310.369 3.590 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883368500 1024406439 /nfs/dbraw/zinc/40/64/39/1024406439.db2.gz RZRBVGYNCACHLE-QGTPRVQTSA-N 1 0 318.417 3.607 20 5 DHBDRO CCC[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000883378576 1024411869 /nfs/dbraw/zinc/41/18/69/1024411869.db2.gz RCPPYAJBRXDXSI-QGZVFWFLSA-N 1 0 318.417 3.985 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccc3cccnc3c2)cccc1[N+](=O)[O-] ZINC000791000764 1024415476 /nfs/dbraw/zinc/41/54/76/1024415476.db2.gz ZNIMSQRIVUPXIB-UHFFFAOYSA-N 1 0 307.353 3.741 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](OC)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000453268945 1024433720 /nfs/dbraw/zinc/43/37/20/1024433720.db2.gz OXTXMGQLFRLNEP-IGCXYCKISA-N 1 0 324.421 3.705 20 5 DHBDRO CO[C@@](C)(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000453313159 1024457635 /nfs/dbraw/zinc/45/76/35/1024457635.db2.gz DRNCFWVLDXIFKN-KSSFIOAISA-N 1 0 314.385 3.807 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453317382 1024460091 /nfs/dbraw/zinc/46/00/91/1024460091.db2.gz LKXQOUIYRBHGSK-UONOGXRCSA-N 1 0 304.390 3.595 20 5 DHBDRO CCC(C)(C)OCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000453402979 1024502517 /nfs/dbraw/zinc/50/25/17/1024502517.db2.gz GHCNXFFXHPBLDH-CQSZACIVSA-N 1 0 308.422 3.711 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000271495791 1024523034 /nfs/dbraw/zinc/52/30/34/1024523034.db2.gz LGHFNZRYCOMOBU-HZPDHXFCSA-N 1 0 314.389 3.826 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cn[nH]c1 ZINC000271515703 1024528147 /nfs/dbraw/zinc/52/81/47/1024528147.db2.gz NSCYMDVEXMSXFC-DGCLKSJQSA-N 1 0 320.418 3.539 20 5 DHBDRO COc1ccccc1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532204368 1024577746 /nfs/dbraw/zinc/57/77/46/1024577746.db2.gz XSEMGSMDRNBMQS-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1scnc1C1CC1 ZINC000348670800 1024602768 /nfs/dbraw/zinc/60/27/68/1024602768.db2.gz KENKRLKPMSLSRN-UHFFFAOYSA-N 1 0 317.414 3.603 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NCC[NH+]1CCCCCC1 ZINC000318998736 1024666476 /nfs/dbraw/zinc/66/64/76/1024666476.db2.gz JQZNUQBXYMOTIA-UHFFFAOYSA-N 1 0 313.348 3.820 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170300420 1024728979 /nfs/dbraw/zinc/72/89/79/1024728979.db2.gz ZWMULGRYHYFCGU-YDHLFZDLSA-N 1 0 306.406 3.703 20 5 DHBDRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170305565 1024731765 /nfs/dbraw/zinc/73/17/65/1024731765.db2.gz NGHJLOHOLDMLGR-BFHYXJOUSA-N 1 0 308.422 3.949 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170325823 1024744813 /nfs/dbraw/zinc/74/48/13/1024744813.db2.gz AGNSBVHXVIVWCD-ZHRONYKTSA-N 1 0 306.406 3.559 20 5 DHBDRO CCC1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170336188 1024745324 /nfs/dbraw/zinc/74/53/24/1024745324.db2.gz VPHHZNFILFXTIW-CYBMUJFWSA-N 1 0 306.406 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170353474 1024748848 /nfs/dbraw/zinc/74/88/48/1024748848.db2.gz YNWHJFQQXZIRPI-MJBXVCDLSA-N 1 0 306.406 3.512 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH+]2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170354987 1024750892 /nfs/dbraw/zinc/75/08/92/1024750892.db2.gz TWEPMFWFLWKKCW-KBMXLJTQSA-N 1 0 318.417 3.656 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CC2(C)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279180218 1024775591 /nfs/dbraw/zinc/77/55/91/1024775591.db2.gz VMINFBYXFRFHHJ-INIZCTEOSA-N 1 0 318.417 3.724 20 5 DHBDRO CCC[NH+](CCC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728897116 1024795420 /nfs/dbraw/zinc/79/54/20/1024795420.db2.gz IZUUQOJFOOJAIX-UHFFFAOYSA-N 1 0 302.378 3.538 20 5 DHBDRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878046 1024820934 /nfs/dbraw/zinc/82/09/34/1024820934.db2.gz RPQHLSMDEBIXSY-CYBMUJFWSA-N 1 0 307.350 3.658 20 5 DHBDRO CCCCCC(C)(C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877112260 1033241088 /nfs/dbraw/zinc/24/10/88/1033241088.db2.gz SNEGSAZOWLOYNF-UHFFFAOYSA-N 1 0 308.426 3.691 20 5 DHBDRO CC(C)C[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000728898872 1024870085 /nfs/dbraw/zinc/87/00/85/1024870085.db2.gz ZVKXAGVXIMEZLA-UHFFFAOYSA-N 1 0 314.389 3.536 20 5 DHBDRO Cc1c([C@H](C)NCc2ccc(Cl)cn2)cccc1[N+](=O)[O-] ZINC000182121171 1024922539 /nfs/dbraw/zinc/92/25/39/1024922539.db2.gz KFAHGSCAACTSGR-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000539050161 1033253352 /nfs/dbraw/zinc/25/33/52/1033253352.db2.gz DZMZQILYTXQPQP-ZDUSSCGKSA-N 1 0 324.384 3.673 20 5 DHBDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000793370790 1025010892 /nfs/dbraw/zinc/01/08/92/1025010892.db2.gz RPAZRGOPNWQBIF-ZDUSSCGKSA-N 1 0 321.377 3.761 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170449975 1025288937 /nfs/dbraw/zinc/28/89/37/1025288937.db2.gz CIWVVSPHMLGHPM-UHFFFAOYSA-N 1 0 305.422 3.967 20 5 DHBDRO CCCN1CCC[C@H]1C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000353971638 1025306439 /nfs/dbraw/zinc/30/64/39/1025306439.db2.gz LIBJNCNQYJXRPT-DLBZAZTESA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1cnc(Cl)c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897459303 1025356931 /nfs/dbraw/zinc/35/69/31/1025356931.db2.gz JVJWKKUKWPBNJS-GFCCVEGCSA-N 1 0 319.792 3.845 20 5 DHBDRO COCCCC1(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000897461413 1025361334 /nfs/dbraw/zinc/36/13/34/1025361334.db2.gz OJSJSLJUQQFUPS-HNNXBMFYSA-N 1 0 320.433 3.885 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000897464796 1025368697 /nfs/dbraw/zinc/36/86/97/1025368697.db2.gz OPBOIRHACRNMRS-CHWSQXEVSA-N 1 0 308.447 3.820 20 5 DHBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804576725 1025373602 /nfs/dbraw/zinc/37/36/02/1025373602.db2.gz CFGGDCKEXLCDCX-OAHLLOKOSA-N 1 0 317.776 3.847 20 5 DHBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H]1c1ccccc1Cl ZINC000885959932 1025419927 /nfs/dbraw/zinc/41/99/27/1025419927.db2.gz FBFANXCZZRYXBI-OAHLLOKOSA-N 1 0 317.776 3.980 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000885958838 1025420058 /nfs/dbraw/zinc/42/00/58/1025420058.db2.gz MPOGYRFVKBPICY-QGZVFWFLSA-N 1 0 311.385 3.587 20 5 DHBDRO c1cnn(CC[NH2+]Cc2c3ccccc3cc3ccccc32)c1 ZINC000236758066 1025420778 /nfs/dbraw/zinc/42/07/78/1025420778.db2.gz GSUNXYWVVVNXPD-UHFFFAOYSA-N 1 0 301.393 3.979 20 5 DHBDRO Cc1ccccc1C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886002134 1025434926 /nfs/dbraw/zinc/43/49/26/1025434926.db2.gz REDHEOSPHQOPDI-UHFFFAOYSA-N 1 0 311.385 3.678 20 5 DHBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000886104425 1025505542 /nfs/dbraw/zinc/50/55/42/1025505542.db2.gz BQTYVEIIOLCVPV-ZDUSSCGKSA-N 1 0 311.385 3.719 20 5 DHBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000886242931 1025570973 /nfs/dbraw/zinc/57/09/73/1025570973.db2.gz JFHBCQPONVHVNI-IRXDYDNUSA-N 1 0 311.385 3.758 20 5 DHBDRO COc1c(Cl)cccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000897479522 1025740576 /nfs/dbraw/zinc/74/05/76/1025740576.db2.gz DTZVGJQUGQYVKO-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000806134842 1025777429 /nfs/dbraw/zinc/77/74/29/1025777429.db2.gz OOOPIIGJVBYLMO-IINYFYTJSA-N 1 0 317.776 3.981 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355785046 1025838976 /nfs/dbraw/zinc/83/89/76/1025838976.db2.gz PBUMXAZBQRHNES-YOEHRIQHSA-N 1 0 304.390 3.548 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355788058 1025840880 /nfs/dbraw/zinc/84/08/80/1025840880.db2.gz UIWBPCWOYSPRKM-MRXNPFEDSA-N 1 0 324.808 3.641 20 5 DHBDRO CSC1(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000356065637 1025936238 /nfs/dbraw/zinc/93/62/38/1025936238.db2.gz OOPKFYTUSWOINP-UHFFFAOYSA-N 1 0 306.431 3.845 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000080962446 1025972707 /nfs/dbraw/zinc/97/27/07/1025972707.db2.gz CKTFOAVKMYKEET-GFCCVEGCSA-N 1 0 316.357 3.502 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000576399656 1026280571 /nfs/dbraw/zinc/28/05/71/1026280571.db2.gz YGCUWEUHRYQGPP-SPQRHKFCSA-N 1 0 323.396 3.883 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000025448382 1026296912 /nfs/dbraw/zinc/29/69/12/1026296912.db2.gz YJOIARNXHGUKIL-LBPRGKRZSA-N 1 0 314.341 3.517 20 5 DHBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000420293150 1026794509 /nfs/dbraw/zinc/79/45/09/1026794509.db2.gz XSQSNZYZNLHALL-VHSXEESVSA-N 1 0 317.311 3.543 20 5 DHBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420283899 1026797782 /nfs/dbraw/zinc/79/77/82/1026797782.db2.gz OJQDTBIAIUIPMI-MWLCHTKSSA-N 1 0 317.311 3.543 20 5 DHBDRO CC1(C)SC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811503476 1027024131 /nfs/dbraw/zinc/02/41/31/1027024131.db2.gz OAJOLTPITFFGQN-SNVBAGLBSA-N 1 0 321.229 3.885 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362384838 1027175180 /nfs/dbraw/zinc/17/51/80/1027175180.db2.gz MLUJRNNCQLBQDM-KBPBESRZSA-N 1 0 324.446 3.580 20 5 DHBDRO CCSCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000362455721 1027216718 /nfs/dbraw/zinc/21/67/18/1027216718.db2.gz SXVOZPBAVWJNQI-LBPRGKRZSA-N 1 0 312.435 3.567 20 5 DHBDRO CC(C)[N@H+](CCc1cscn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000295569919 1027340718 /nfs/dbraw/zinc/34/07/18/1027340718.db2.gz RBYKPKYKCUXWDC-UHFFFAOYSA-N 1 0 305.403 3.504 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000932197072 1027410405 /nfs/dbraw/zinc/41/04/05/1027410405.db2.gz CLEPZLVZCAKYQM-CQSZACIVSA-N 1 0 317.414 3.506 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccccc3F)c2c1 ZINC000575356114 1027476801 /nfs/dbraw/zinc/47/68/01/1027476801.db2.gz WMPCVWKSOIFWNH-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000575348077 1027477447 /nfs/dbraw/zinc/47/74/47/1027477447.db2.gz RCKMPLVBSOFRDQ-GWCFXTLKSA-N 1 0 302.296 3.892 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCC(C)(F)F ZINC000295925656 1027491749 /nfs/dbraw/zinc/49/17/49/1027491749.db2.gz FIACFJPWSHFKPP-GFCCVEGCSA-N 1 0 300.349 3.941 20 5 DHBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000295976630 1027508401 /nfs/dbraw/zinc/50/84/01/1027508401.db2.gz KTZUACCISLNTRM-XJKSGUPXSA-N 1 0 306.406 3.711 20 5 DHBDRO CCC[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423533886 1027576122 /nfs/dbraw/zinc/57/61/22/1027576122.db2.gz UNPSDNPEBIVCLN-SJORKVTESA-N 1 0 305.422 3.543 20 5 DHBDRO CC[N@H+](CCc1ccccn1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778948346 1027629065 /nfs/dbraw/zinc/62/90/65/1027629065.db2.gz ZKNPUAMWAIPSOW-HNNXBMFYSA-N 1 0 313.401 3.924 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2CCCCC2)c1 ZINC000504505644 1027634306 /nfs/dbraw/zinc/63/43/06/1027634306.db2.gz COSXBIDCUZMDFE-UHFFFAOYSA-N 1 0 314.332 3.866 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933079265 1027670176 /nfs/dbraw/zinc/67/01/76/1027670176.db2.gz KXFISTXLJRQKPZ-GOEBONIOSA-N 1 0 318.417 3.794 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCOC12CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000933875631 1027854097 /nfs/dbraw/zinc/85/40/97/1027854097.db2.gz UCUQGRVVBUAQBU-CJNGLKHVSA-N 1 0 304.390 3.737 20 5 DHBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000814179415 1027918267 /nfs/dbraw/zinc/91/82/67/1027918267.db2.gz SVDIMYULFRGSPS-GFCCVEGCSA-N 1 0 314.838 3.823 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000934384665 1027988311 /nfs/dbraw/zinc/98/83/11/1027988311.db2.gz FBOZVXPKHNICLD-CZUORRHYSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000934384659 1027989317 /nfs/dbraw/zinc/98/93/17/1027989317.db2.gz FBOZVXPKHNICLD-BBRMVZONSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000601136577 1027998791 /nfs/dbraw/zinc/99/87/91/1027998791.db2.gz UKTLOAIPYFLDMS-AEFFLSMTSA-N 1 0 312.369 3.523 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000601155876 1028007172 /nfs/dbraw/zinc/00/71/72/1028007172.db2.gz NLOHJXYPKDYLAL-QGZVFWFLSA-N 1 0 318.417 3.732 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000563419687 1028037800 /nfs/dbraw/zinc/03/78/00/1028037800.db2.gz XYHCXGAZDVIYJS-MRXNPFEDSA-N 1 0 300.333 3.819 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000601286378 1028060991 /nfs/dbraw/zinc/06/09/91/1028060991.db2.gz ZWZDASCXZPEYSO-XWIAVFTESA-N 1 0 312.369 3.776 20 5 DHBDRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000601299989 1028068915 /nfs/dbraw/zinc/06/89/15/1028068915.db2.gz RWZOOXHPYNCXSV-TVQRCGJNSA-N 1 0 303.387 3.698 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccccc1[N+](=O)[O-] ZINC000601304705 1028069810 /nfs/dbraw/zinc/06/98/10/1028069810.db2.gz QWKCXRSMHZHOBY-CYBMUJFWSA-N 1 0 312.369 3.518 20 5 DHBDRO C[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601305398 1028071437 /nfs/dbraw/zinc/07/14/37/1028071437.db2.gz XHFMCMFWDQFBTH-RHSMWYFYSA-N 1 0 318.417 3.985 20 5 DHBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000578466531 1028157841 /nfs/dbraw/zinc/15/78/41/1028157841.db2.gz HMFWWCCNGXQIAN-CYBMUJFWSA-N 1 0 309.369 3.969 20 5 DHBDRO Cc1cccc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000367293299 1028158189 /nfs/dbraw/zinc/15/81/89/1028158189.db2.gz YSURSJVJTDZGAJ-QGZVFWFLSA-N 1 0 315.348 3.774 20 5 DHBDRO C[C@H](NCc1ccccc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000367302111 1028162200 /nfs/dbraw/zinc/16/22/00/1028162200.db2.gz ULAQKCIRVWKSRZ-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC4(CCC4)CC3)nc2c1 ZINC000367548769 1028201257 /nfs/dbraw/zinc/20/12/57/1028201257.db2.gz FUGMGKFEKDMUQS-UHFFFAOYSA-N 1 0 301.346 3.502 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+](C)C)c1 ZINC000449041157 1028286880 /nfs/dbraw/zinc/28/68/80/1028286880.db2.gz LMBLOPVJGIXZAI-AWEZNQCLSA-N 1 0 313.401 3.700 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2occc21 ZINC000449077046 1028339505 /nfs/dbraw/zinc/33/95/05/1028339505.db2.gz QUHWXDYWQDLDKH-IUODEOHRSA-N 1 0 300.358 3.786 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2occc21 ZINC000449077048 1028340866 /nfs/dbraw/zinc/34/08/66/1028340866.db2.gz QUHWXDYWQDLDKH-WFASDCNBSA-N 1 0 300.358 3.786 20 5 DHBDRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000579258184 1028361976 /nfs/dbraw/zinc/36/19/76/1028361976.db2.gz DYEIDVQDCVSPMB-WBMJQRKESA-N 1 0 314.389 3.710 20 5 DHBDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449092766 1028366813 /nfs/dbraw/zinc/36/68/13/1028366813.db2.gz UFVQUBUPSHBTFI-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO Cc1ccc2[nH]c(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])nc2c1 ZINC000449168827 1028410821 /nfs/dbraw/zinc/41/08/21/1028410821.db2.gz BQDWLATWRRRUBQ-ZDUSSCGKSA-N 1 0 324.384 3.500 20 5 DHBDRO COCC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000564420426 1028438225 /nfs/dbraw/zinc/43/82/25/1028438225.db2.gz UMGWBDPEEAJAPC-VQHVLOKHSA-N 1 0 318.417 3.795 20 5 DHBDRO C[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 ZINC000449202365 1028454483 /nfs/dbraw/zinc/45/44/83/1028454483.db2.gz FUKMNRPIEPFPMW-LBPRGKRZSA-N 1 0 320.339 3.809 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000369327078 1028470631 /nfs/dbraw/zinc/47/06/31/1028470631.db2.gz OGEQRXFUQCTIDW-CJNGLKHVSA-N 1 0 304.390 3.513 20 5 DHBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449243243 1028489728 /nfs/dbraw/zinc/48/97/28/1028489728.db2.gz JEPUHTYCKAFIJN-ZYHUDNBSSA-N 1 0 304.312 3.846 20 5 DHBDRO COc1cccc(C2([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000564789124 1028502556 /nfs/dbraw/zinc/50/25/56/1028502556.db2.gz PXUPWKQUQBFUFF-CYBMUJFWSA-N 1 0 312.369 3.943 20 5 DHBDRO C[C@H]([NH2+]CCSc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554930 1028542639 /nfs/dbraw/zinc/54/26/39/1028542639.db2.gz MGZFVODFFJCDOY-LBPRGKRZSA-N 1 0 317.414 3.620 20 5 DHBDRO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000040445795 1028543547 /nfs/dbraw/zinc/54/35/47/1028543547.db2.gz SDPOENRCVBRHOC-SNVBAGLBSA-N 1 0 305.403 3.827 20 5 DHBDRO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562830 1028544789 /nfs/dbraw/zinc/54/47/89/1028544789.db2.gz NJMDYRDOVVXOEH-QWRGUYRKSA-N 1 0 305.403 3.520 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000815569642 1028549384 /nfs/dbraw/zinc/54/93/84/1028549384.db2.gz BGAWLCXODLYJTQ-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815575805 1028552532 /nfs/dbraw/zinc/55/25/32/1028552532.db2.gz AZIHKMXVUYYFKQ-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CSc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582051 1028554738 /nfs/dbraw/zinc/55/47/38/1028554738.db2.gz WPIHUBGUJXUEHD-YGRLFVJLSA-N 1 0 315.398 3.675 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000565216562 1028556719 /nfs/dbraw/zinc/55/67/19/1028556719.db2.gz KGGKUUWFSYJHCU-IAGOWNOFSA-N 1 0 312.344 3.998 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000565219698 1028560290 /nfs/dbraw/zinc/56/02/90/1028560290.db2.gz YAELCHIUYXHBTG-VMGRFDJRSA-N 1 0 318.417 3.765 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CSc3ccccc32)cs1 ZINC000449355922 1028590090 /nfs/dbraw/zinc/59/00/90/1028590090.db2.gz AHTCLZLZWSLNSB-NSHDSACASA-N 1 0 306.412 3.635 20 5 DHBDRO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449462327 1028682166 /nfs/dbraw/zinc/68/21/66/1028682166.db2.gz SJRMCMZTDZXNSP-JQWIXIFHSA-N 1 0 302.296 3.758 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000371875850 1028769607 /nfs/dbraw/zinc/76/96/07/1028769607.db2.gz GWOMUVOQURKROV-MTCRFPMVSA-N 1 0 324.380 3.547 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000449617769 1028869076 /nfs/dbraw/zinc/86/90/76/1028869076.db2.gz ALFSGSTVXHTNEN-UKRRQHHQSA-N 1 0 318.398 3.666 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449681483 1028908398 /nfs/dbraw/zinc/90/83/98/1028908398.db2.gz LXXQWNBIWMHBAH-SPQRHKFCSA-N 1 0 316.401 3.501 20 5 DHBDRO CCC[C@H]([NH2+]CCOCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000567555042 1028917546 /nfs/dbraw/zinc/91/75/46/1028917546.db2.gz KFTJCMFXFLDHCN-KRWDZBQOSA-N 1 0 306.406 3.842 20 5 DHBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567626354 1028931253 /nfs/dbraw/zinc/93/12/53/1028931253.db2.gz KPAQMBORBJYEHP-XCRHUMRWSA-N 1 0 318.417 3.623 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000449731147 1028940842 /nfs/dbraw/zinc/94/08/42/1028940842.db2.gz HKQMCAXDZWBTIT-ZVVFDCPKSA-N 1 0 318.442 3.827 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccn(C(C)C)n1 ZINC000568460719 1029071598 /nfs/dbraw/zinc/07/15/98/1029071598.db2.gz RZEJAJUMLAOPAK-NTEUORMPSA-N 1 0 314.389 3.565 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000568468267 1029075798 /nfs/dbraw/zinc/07/57/98/1029075798.db2.gz LTFLNZRXWAOHOW-GOEBONIOSA-N 1 0 311.385 3.849 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000568891458 1029142338 /nfs/dbraw/zinc/14/23/38/1029142338.db2.gz GNOLIFCZCYGDMY-PBHICJAKSA-N 1 0 320.433 3.743 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCCO[C@@H]21 ZINC000374161741 1029221463 /nfs/dbraw/zinc/22/14/63/1029221463.db2.gz RAJAVWGXNBPQOX-GLQYFDAESA-N 1 0 324.808 3.541 20 5 DHBDRO CC(C)c1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819240404 1029509885 /nfs/dbraw/zinc/50/98/85/1029509885.db2.gz AJAPYMOHPPQILE-SFHVURJKSA-N 1 0 314.385 3.541 20 5 DHBDRO C[C@H](CC1CCCCC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819269207 1029526371 /nfs/dbraw/zinc/52/63/71/1029526371.db2.gz FAZYKCOMEDMUNN-DYVFJYSZSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819366338 1029552246 /nfs/dbraw/zinc/55/22/46/1029552246.db2.gz NZGIRJSTEZHUCH-DLBZAZTESA-N 1 0 306.406 3.577 20 5 DHBDRO CC[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000925232568 1029791960 /nfs/dbraw/zinc/79/19/60/1029791960.db2.gz XQPUHSKWUUHGBQ-OKKATSDQSA-N 1 0 304.390 3.593 20 5 DHBDRO COC(C)(C)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544891 1029907575 /nfs/dbraw/zinc/90/75/75/1029907575.db2.gz GCXVNERRYASTON-OAHLLOKOSA-N 1 0 306.406 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c(Cl)c1 ZINC000865762091 1030013062 /nfs/dbraw/zinc/01/30/62/1030013062.db2.gz LGFROJWXDMLDDA-CJNGLKHVSA-N 1 0 324.808 3.543 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000120823234 1030092469 /nfs/dbraw/zinc/09/24/69/1030092469.db2.gz LFFCVPDZJWDYHL-RCBQFDQVSA-N 1 0 318.373 3.741 20 5 DHBDRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866275078 1030196957 /nfs/dbraw/zinc/19/69/57/1030196957.db2.gz XBSOGKBYOTVEIB-LERXQTSPSA-N 1 0 312.410 3.539 20 5 DHBDRO CSc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000357842174 1030216061 /nfs/dbraw/zinc/21/60/61/1030216061.db2.gz UFJNVQDRSMTVTE-GFCCVEGCSA-N 1 0 317.414 3.871 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC1(F)F ZINC000866367774 1030258789 /nfs/dbraw/zinc/25/87/89/1030258789.db2.gz OSFCJSXJCVBGHV-ZYHUDNBSSA-N 1 0 316.323 3.690 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000866394598 1030276602 /nfs/dbraw/zinc/27/66/02/1030276602.db2.gz WNVFCHJDMMWCQL-TVQRCGJNSA-N 1 0 316.323 3.546 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@H]1CCSC1)C1CC1 ZINC000866403415 1030282783 /nfs/dbraw/zinc/28/27/83/1030282783.db2.gz SWDJDKIZNVZCFX-BBRMVZONSA-N 1 0 320.458 3.649 20 5 DHBDRO COC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000533581180 1030441853 /nfs/dbraw/zinc/44/18/53/1030441853.db2.gz SMFNDOORMKMOML-UAGQMJEPSA-N 1 0 320.433 3.567 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358357032 1030454069 /nfs/dbraw/zinc/45/40/69/1030454069.db2.gz VTTDJXRTQULAPT-ROUUACIJSA-N 1 0 319.449 3.898 20 5 DHBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000824462775 1030566957 /nfs/dbraw/zinc/56/69/57/1030566957.db2.gz LSMAMRUSJVQMCM-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO C[C@@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824766172 1030628443 /nfs/dbraw/zinc/62/84/43/1030628443.db2.gz SKXPGSWHWXGOOC-BPJJOFIESA-N 1 0 315.200 3.782 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000824750311 1030636152 /nfs/dbraw/zinc/63/61/52/1030636152.db2.gz HHZNSXBDVIOEAA-LBPRGKRZSA-N 1 0 324.808 3.687 20 5 DHBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000825067636 1030715487 /nfs/dbraw/zinc/71/54/87/1030715487.db2.gz ADPFDDAQWJOZJJ-CQSZACIVSA-N 1 0 306.409 3.607 20 5 DHBDRO CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000359035557 1030742236 /nfs/dbraw/zinc/74/22/36/1030742236.db2.gz LQVMVJXLIVZXKY-PBHICJAKSA-N 1 0 320.433 3.749 20 5 DHBDRO Cc1cc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000825221636 1030747957 /nfs/dbraw/zinc/74/79/57/1030747957.db2.gz USVMOBWHMZFREX-UHFFFAOYSA-N 1 0 305.765 3.550 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000359083181 1030767907 /nfs/dbraw/zinc/76/79/07/1030767907.db2.gz OZMPHKOKPZSLOL-DOTOQJQBSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000927018168 1031035481 /nfs/dbraw/zinc/03/54/81/1031035481.db2.gz OLNODZDUSMEZLS-XJKSGUPXSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000927025190 1031039356 /nfs/dbraw/zinc/03/93/56/1031039356.db2.gz BKHJFZORFBIHIG-KFNAQCHYSA-N 1 0 306.431 3.846 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCc2cccnc21 ZINC000927061227 1031058674 /nfs/dbraw/zinc/05/86/74/1031058674.db2.gz CWBXDZZDCSSBEK-JKSUJKDBSA-N 1 0 309.369 3.644 20 5 DHBDRO CC[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927070186 1031069616 /nfs/dbraw/zinc/06/96/16/1031069616.db2.gz POVITZUBODYVRW-BPQIPLTHSA-N 1 0 318.417 3.841 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000844393289 1031095956 /nfs/dbraw/zinc/09/59/56/1031095956.db2.gz JMQBXVXBDFBGDM-IRXDYDNUSA-N 1 0 318.348 3.508 20 5 DHBDRO C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000927131965 1031109936 /nfs/dbraw/zinc/10/99/36/1031109936.db2.gz ZQPHNXVOKUXFMI-XJKSGUPXSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927161085 1031123747 /nfs/dbraw/zinc/12/37/47/1031123747.db2.gz OOHHMNITAFIBDA-XJKSGUPXSA-N 1 0 304.390 3.656 20 5 DHBDRO COc1cc(C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000360052924 1031258194 /nfs/dbraw/zinc/25/81/94/1031258194.db2.gz KWLKVQMQTRCOOA-OLZOCXBDSA-N 1 0 322.405 3.615 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c(Cl)c1 ZINC000360209699 1031327817 /nfs/dbraw/zinc/32/78/17/1031327817.db2.gz RGVOYMQHAXWPOK-MRXNPFEDSA-N 1 0 324.808 3.639 20 5 DHBDRO C[C@@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000777699850 1031364864 /nfs/dbraw/zinc/36/48/64/1031364864.db2.gz FEMIGAOQFGGPTH-GFCCVEGCSA-N 1 0 317.364 3.969 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000536696470 1031401044 /nfs/dbraw/zinc/40/10/44/1031401044.db2.gz WZGXBKCQQYYHKI-SLLSNFPASA-N 1 0 318.442 3.968 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000872041394 1031425383 /nfs/dbraw/zinc/42/53/83/1031425383.db2.gz HQRGWDBYMBIYBO-BHYGNILZSA-N 1 0 306.406 3.841 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000872044003 1031430926 /nfs/dbraw/zinc/43/09/26/1031430926.db2.gz PCXPAQQRDMUZMB-AGIUHOORSA-N 1 0 324.446 3.782 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872044708 1031431034 /nfs/dbraw/zinc/43/10/34/1031431034.db2.gz VORYHOMOOIPDIX-SNVBAGLBSA-N 1 0 323.755 3.676 20 5 DHBDRO CC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000872047828 1031436097 /nfs/dbraw/zinc/43/60/97/1031436097.db2.gz GLVFWWZQDMQEAO-FUHWJXTLSA-N 1 0 320.433 3.712 20 5 DHBDRO CC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000872047836 1031436380 /nfs/dbraw/zinc/43/63/80/1031436380.db2.gz GLVFWWZQDMQEAO-WMZOPIPTSA-N 1 0 320.433 3.712 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCOC1 ZINC000872049023 1031436556 /nfs/dbraw/zinc/43/65/56/1031436556.db2.gz OFZIFEYCXKVJQT-IAQYHMDHSA-N 1 0 312.797 3.543 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000872053084 1031440933 /nfs/dbraw/zinc/44/09/33/1031440933.db2.gz HSQDODBBYFYLDA-YVECIDJPSA-N 1 0 324.446 3.923 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000872053079 1031441027 /nfs/dbraw/zinc/44/10/27/1031441027.db2.gz HSQDODBBYFYLDA-RNJOBUHISA-N 1 0 324.446 3.923 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000536845863 1031454861 /nfs/dbraw/zinc/45/48/61/1031454861.db2.gz MGDQXWVOVYXZSP-JGGQBBKZSA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872068959 1031464803 /nfs/dbraw/zinc/46/48/03/1031464803.db2.gz KDRIQJDWXIBPTA-SWLSCSKDSA-N 1 0 322.380 3.734 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069825 1031465372 /nfs/dbraw/zinc/46/53/72/1031465372.db2.gz VMGRPWZHEORYKG-VHSXEESVSA-N 1 0 302.296 3.820 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)C(C)(C)O ZINC000872074081 1031470275 /nfs/dbraw/zinc/47/02/75/1031470275.db2.gz VPQBANHALKDLPP-QMTHXVAHSA-N 1 0 312.435 3.517 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000872075736 1031471470 /nfs/dbraw/zinc/47/14/70/1031471470.db2.gz UVELTXCVEIOSRC-LBPRGKRZSA-N 1 0 317.414 3.871 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078902 1031473884 /nfs/dbraw/zinc/47/38/84/1031473884.db2.gz DSVPJDRCSBZRAI-LBPRGKRZSA-N 1 0 317.364 3.757 20 5 DHBDRO C[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000872079980 1031476961 /nfs/dbraw/zinc/47/69/61/1031476961.db2.gz RBWQUDXIWQGRCI-RKDXNWHRSA-N 1 0 308.275 3.973 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083090 1031479272 /nfs/dbraw/zinc/47/92/72/1031479272.db2.gz GXDJLZSVFQJMFV-XNJJOIOASA-N 1 0 322.380 3.732 20 5 DHBDRO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872088323 1031485103 /nfs/dbraw/zinc/48/51/03/1031485103.db2.gz PUWFMZGXIKERFF-IUCAKERBSA-N 1 0 321.179 3.968 20 5 DHBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872096008 1031489943 /nfs/dbraw/zinc/48/99/43/1031489943.db2.gz XPBHFDHWRWRBBF-SDDRHHMPSA-N 1 0 312.435 3.517 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000872129842 1031520513 /nfs/dbraw/zinc/52/05/13/1031520513.db2.gz YIDOLKMFKARWMD-WAZAZEMKSA-N 1 0 324.471 3.625 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000872138677 1031533566 /nfs/dbraw/zinc/53/35/66/1031533566.db2.gz XVTJYVFAYNPQOM-JEBQAFNWSA-N 1 0 314.385 3.758 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293641654 1031551838 /nfs/dbraw/zinc/55/18/38/1031551838.db2.gz IBRDKEWXBGNSAI-NXEZZACHSA-N 1 0 321.327 3.867 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872260060 1031565926 /nfs/dbraw/zinc/56/59/26/1031565926.db2.gz HKNOMJRGIBXRKB-INIZCTEOSA-N 1 0 304.390 3.518 20 5 DHBDRO COCc1csc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873138633 1031725669 /nfs/dbraw/zinc/72/56/69/1031725669.db2.gz UPDRLENLCUOLGE-UHFFFAOYSA-N 1 0 320.414 3.709 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000873195149 1031751005 /nfs/dbraw/zinc/75/10/05/1031751005.db2.gz YFLNDXKCLVLIDY-WMZOPIPTSA-N 1 0 314.385 3.505 20 5 DHBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[C@H](C)C1 ZINC000361639562 1032026016 /nfs/dbraw/zinc/02/60/16/1032026016.db2.gz PIDQTGAZIPKYDX-BBRMVZONSA-N 1 0 306.406 3.540 20 5 DHBDRO CC(C)[C@H]1CCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954042 1032029222 /nfs/dbraw/zinc/02/92/22/1032029222.db2.gz PNKCJFXFDLDDMP-QGZVFWFLSA-N 1 0 314.389 3.536 20 5 DHBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877400410 1033294900 /nfs/dbraw/zinc/29/49/00/1033294900.db2.gz SWCJBJVISBEQPJ-QVOMUQBLSA-N 1 0 320.437 3.689 20 5 DHBDRO CO[C@]1(C)CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877491099 1033320672 /nfs/dbraw/zinc/32/06/72/1033320672.db2.gz DROPIRUJUPAJRI-QGZVFWFLSA-N 1 0 306.406 3.603 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000877502112 1033327006 /nfs/dbraw/zinc/32/70/06/1033327006.db2.gz YOSLHFHTDDYVKW-OAHLLOKOSA-N 1 0 311.385 3.596 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000877522518 1033332653 /nfs/dbraw/zinc/33/26/53/1033332653.db2.gz BHTHHBQWJJOELY-GOSISDBHSA-N 1 0 311.385 3.944 20 5 DHBDRO CCOC1CC2(C1)CC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C2 ZINC000877520291 1033334591 /nfs/dbraw/zinc/33/45/91/1033334591.db2.gz SAEJRZQMFPMQEW-UHFFFAOYSA-N 1 0 318.417 3.603 20 5 DHBDRO CCC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877575576 1033365697 /nfs/dbraw/zinc/36/56/97/1033365697.db2.gz YHUAAWQKYBKRLX-WXLSXGNJSA-N 1 0 320.437 3.691 20 5 DHBDRO CCC[C@H]1CCCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877575574 1033367532 /nfs/dbraw/zinc/36/75/32/1033367532.db2.gz YHUAAWQKYBKRLX-QRNKSROTSA-N 1 0 320.437 3.691 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000877615126 1033382505 /nfs/dbraw/zinc/38/25/05/1033382505.db2.gz QVEWFABLLYTMSO-HNNXBMFYSA-N 1 0 310.344 3.833 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000126668525 1033414947 /nfs/dbraw/zinc/41/49/47/1033414947.db2.gz VBKFWWWTGRSDAT-OAHLLOKOSA-N 1 0 302.761 3.505 20 5 DHBDRO CC(C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(F)F ZINC000877731219 1033423256 /nfs/dbraw/zinc/42/32/56/1033423256.db2.gz QGHLDDGGLSOPCY-UHFFFAOYSA-N 1 0 313.304 3.507 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccs1)CC2 ZINC001172898793 1033434485 /nfs/dbraw/zinc/43/44/85/1033434485.db2.gz PDRKWCGQXDHJAP-CQSZACIVSA-N 1 0 302.399 3.694 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccnc1 ZINC001172896873 1033434594 /nfs/dbraw/zinc/43/45/94/1033434594.db2.gz TUXMLMZEZYARLE-DYVFJYSZSA-N 1 0 311.385 3.588 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172898901 1033434969 /nfs/dbraw/zinc/43/49/69/1033434969.db2.gz QGTIQEJDFZTATI-SFHVURJKSA-N 1 0 310.397 3.940 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(c3ccccn3)CC1)CC2 ZINC001172899850 1033434990 /nfs/dbraw/zinc/43/49/90/1033434990.db2.gz DSPDPDAGLQEQTN-INIZCTEOSA-N 1 0 323.396 3.516 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1C3)CC2 ZINC001172900799 1033435315 /nfs/dbraw/zinc/43/53/15/1033435315.db2.gz FTHCYIIJIIXJOR-OBZJAWTPSA-N 1 0 300.402 3.620 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(c3ccncc3)CC1)CC2 ZINC001172901053 1033435759 /nfs/dbraw/zinc/43/57/59/1033435759.db2.gz IXIKCCCCTHFUMI-QGZVFWFLSA-N 1 0 323.396 3.516 20 5 DHBDRO C[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903279 1033437551 /nfs/dbraw/zinc/43/75/51/1033437551.db2.gz GJXOYQUVZNYNLE-PBHICJAKSA-N 1 0 302.418 3.964 20 5 DHBDRO CCCCOCCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901910 1033437579 /nfs/dbraw/zinc/43/75/79/1033437579.db2.gz RJQZOFKLKJYPGL-QGZVFWFLSA-N 1 0 320.433 3.639 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1nccs1 ZINC001172902070 1033437795 /nfs/dbraw/zinc/43/77/95/1033437795.db2.gz UTYHRAKCWRAWGQ-FZMZJTMJSA-N 1 0 317.414 3.650 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H]3CCCC[C@@H]3C1)CC2 ZINC001172908739 1033440234 /nfs/dbraw/zinc/44/02/34/1033440234.db2.gz NDOBHGNAYSJWSW-KSZLIROESA-N 1 0 314.429 3.964 20 5 DHBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000877779143 1033445602 /nfs/dbraw/zinc/44/56/02/1033445602.db2.gz ZKOONCWRTISTJK-LDYMZIIASA-N 1 0 321.204 3.541 20 5 DHBDRO Cc1ccccc1CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895422 1033461274 /nfs/dbraw/zinc/46/12/74/1033461274.db2.gz DBDCZAQZUTUJIT-IBGZPJMESA-N 1 0 324.424 3.983 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913928 1033462129 /nfs/dbraw/zinc/46/21/29/1033462129.db2.gz VVDRAJYCFSKNDQ-JKIFEVAISA-N 1 0 302.418 3.820 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151715415 1033479079 /nfs/dbraw/zinc/47/90/79/1033479079.db2.gz NICXQHXKGVUDIQ-NWDGAFQWSA-N 1 0 320.414 3.602 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)c1F ZINC001173177357 1033581885 /nfs/dbraw/zinc/58/18/85/1033581885.db2.gz TUUYFCSNCWEHDI-AVGNSLFASA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2[C@H](C)CC[C@@H]2C)c1F ZINC001173184160 1033583161 /nfs/dbraw/zinc/58/31/61/1033583161.db2.gz LQPMDKGDHCIRTQ-DRAKQNMHSA-N 1 0 324.396 3.698 20 5 DHBDRO CCC[N@H+](CC1CC1)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173187335 1033583189 /nfs/dbraw/zinc/58/31/89/1033583189.db2.gz ZJTZZCSRNVZANB-GFCCVEGCSA-N 1 0 324.396 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCCC[C@H]2C)c1F ZINC001173190079 1033583266 /nfs/dbraw/zinc/58/32/66/1033583266.db2.gz QAZOKDWCAKDRLF-CHWSQXEVSA-N 1 0 324.396 3.938 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C2CCCC2)c1F ZINC001173189834 1033583323 /nfs/dbraw/zinc/58/33/23/1033583323.db2.gz MNBPAZOYSGPTSE-NSHDSACASA-N 1 0 310.369 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@@H](C)CC23CC3)c1F ZINC001173191698 1033583699 /nfs/dbraw/zinc/58/36/99/1033583699.db2.gz GKMQIBXHCYOWRE-RYUDHWBXSA-N 1 0 322.380 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCCC[C@H]2C)c1F ZINC001173190080 1033584116 /nfs/dbraw/zinc/58/41/16/1033584116.db2.gz QAZOKDWCAKDRLF-OLZOCXBDSA-N 1 0 324.396 3.938 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC[C@H](C)C2)c1F ZINC001173181797 1033584886 /nfs/dbraw/zinc/58/48/86/1033584886.db2.gz PVANRUZOZKPSFH-QWHCGFSZSA-N 1 0 324.396 3.796 20 5 DHBDRO CC[C@H]1CCC[N@@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188180 1033585194 /nfs/dbraw/zinc/58/51/94/1033585194.db2.gz CZNZDQTZAPZBDP-RYUDHWBXSA-N 1 0 310.369 3.548 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001173215317 1033597771 /nfs/dbraw/zinc/59/77/71/1033597771.db2.gz UUJDIZZJLIHLAY-JTQLQIEISA-N 1 0 324.302 3.733 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2cccc(F)c2)CC1 ZINC001173216596 1033597817 /nfs/dbraw/zinc/59/78/17/1033597817.db2.gz DIYMDUQVNCQGBJ-ZDUSSCGKSA-N 1 0 314.360 3.944 20 5 DHBDRO Cc1cc(F)cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173217908 1033598351 /nfs/dbraw/zinc/59/83/51/1033598351.db2.gz NGPCHHIAVZCJJG-ZDUSSCGKSA-N 1 0 302.349 3.763 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC001173215626 1033598659 /nfs/dbraw/zinc/59/86/59/1033598659.db2.gz XLXGCLRROHQOHX-CYBMUJFWSA-N 1 0 302.349 3.763 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2cc(CC[NH3+])ccc21 ZINC001173219864 1033600198 /nfs/dbraw/zinc/60/01/98/1033600198.db2.gz PXMDQRJZNUAYDZ-AWEZNQCLSA-N 1 0 323.396 3.854 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(F)c1F ZINC001173219237 1033600557 /nfs/dbraw/zinc/60/05/57/1033600557.db2.gz ZRUURBXRDACQLE-NSHDSACASA-N 1 0 306.312 3.594 20 5 DHBDRO COC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001173222745 1033602220 /nfs/dbraw/zinc/60/22/20/1033602220.db2.gz YYHYKHGTPPPCPL-KDOFPFPSSA-N 1 0 314.385 3.503 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001173226625 1033605369 /nfs/dbraw/zinc/60/53/69/1033605369.db2.gz MWOPDRQJOKNQIQ-RDTXWAMCSA-N 1 0 311.385 3.758 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001173228380 1033605496 /nfs/dbraw/zinc/60/54/96/1033605496.db2.gz VTXOBXIQDUQEOQ-DGCLKSJQSA-N 1 0 316.323 3.800 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCc2ccccc2C1 ZINC001173226814 1033606149 /nfs/dbraw/zinc/60/61/49/1033606149.db2.gz LQWOXPBKSWVTPW-HNNXBMFYSA-N 1 0 310.397 3.974 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2cccnc21 ZINC001173230644 1033606508 /nfs/dbraw/zinc/60/65/08/1033606508.db2.gz SJCJFISPKVBGIS-AWEZNQCLSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)c1ccc(O)cc1 ZINC001173233176 1033607748 /nfs/dbraw/zinc/60/77/48/1033607748.db2.gz HJDFSOWGXDTKHD-UONOGXRCSA-N 1 0 314.385 3.625 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001173233456 1033608600 /nfs/dbraw/zinc/60/86/00/1033608600.db2.gz IVMFWJXDJYGXRC-KZULUSFZSA-N 1 0 314.360 3.942 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CF)c1ccccc1 ZINC001173231582 1033608955 /nfs/dbraw/zinc/60/89/55/1033608955.db2.gz AYJSSMCSABWYGE-SUMWQHHRSA-N 1 0 302.349 3.826 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccccc1F ZINC001173232826 1033609438 /nfs/dbraw/zinc/60/94/38/1033609438.db2.gz GBQAJCQEXLBEII-CQSZACIVSA-N 1 0 316.376 3.887 20 5 DHBDRO Cc1ccc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001173213256 1033613706 /nfs/dbraw/zinc/61/37/06/1033613706.db2.gz HIBYZZBJCYYIOC-MRXNPFEDSA-N 1 0 312.413 3.975 20 5 DHBDRO Cc1nc([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001173213113 1033614338 /nfs/dbraw/zinc/61/43/38/1033614338.db2.gz FJYIYXAYKZMLIS-MNOVXSKESA-N 1 0 305.403 3.642 20 5 DHBDRO Cc1nc([C@@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001173213111 1033614704 /nfs/dbraw/zinc/61/47/04/1033614704.db2.gz FJYIYXAYKZMLIS-GHMZBOCLSA-N 1 0 305.403 3.642 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cnc2ccccn21 ZINC001173211911 1033615015 /nfs/dbraw/zinc/61/50/15/1033615015.db2.gz VIHPNRAWNWSDOG-UONOGXRCSA-N 1 0 324.384 3.524 20 5 DHBDRO C[C@@H]([NH3+])c1nc2ccccc2n1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211410 1033615132 /nfs/dbraw/zinc/61/51/32/1033615132.db2.gz RUPNHXLHBLATFY-CHWSQXEVSA-N 1 0 324.384 3.768 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc2ccccc2cn1 ZINC001173214647 1033617388 /nfs/dbraw/zinc/61/73/88/1033617388.db2.gz DEIPEGVAXOHJAF-CQSZACIVSA-N 1 0 321.380 3.864 20 5 DHBDRO CCC(CC)(CC)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878255972 1033637626 /nfs/dbraw/zinc/63/76/26/1033637626.db2.gz QWKAUVHGCFHQAE-UHFFFAOYSA-N 1 0 318.377 3.703 20 5 DHBDRO CC[C@@H](C)[NH2+][C@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000553264959 1033642857 /nfs/dbraw/zinc/64/28/57/1033642857.db2.gz WABRSGAKGVXMAC-TZMCWYRMSA-N 1 0 303.362 3.729 20 5 DHBDRO Cc1ccc2c(c1)CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173237757 1033647824 /nfs/dbraw/zinc/64/78/24/1033647824.db2.gz MBYFPMLLAVOJKS-OAHLLOKOSA-N 1 0 310.397 3.893 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000878356331 1033670911 /nfs/dbraw/zinc/67/09/11/1033670911.db2.gz UNCMCXGQLLVNSB-OCCSQVGLSA-N 1 0 306.406 3.839 20 5 DHBDRO CCCCC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000878359504 1033673236 /nfs/dbraw/zinc/67/32/36/1033673236.db2.gz NOXSURKZQOKUEL-INIZCTEOSA-N 1 0 316.405 3.740 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000878371020 1033679324 /nfs/dbraw/zinc/67/93/24/1033679324.db2.gz FOQCBKYUBZDROP-DZGCQCFKSA-N 1 0 304.390 3.513 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000878371023 1033679679 /nfs/dbraw/zinc/67/96/79/1033679679.db2.gz FOQCBKYUBZDROP-ZFWWWQNUSA-N 1 0 304.390 3.513 20 5 DHBDRO Cc1csc([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008872 1034180665 /nfs/dbraw/zinc/18/06/65/1034180665.db2.gz FEUVCIYZTSUUGC-STQMWFEESA-N 1 0 317.414 3.910 20 5 DHBDRO COCc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178643475 1034254890 /nfs/dbraw/zinc/25/48/90/1034254890.db2.gz UQMRLCWKPLSVML-CYBMUJFWSA-N 1 0 300.358 3.592 20 5 DHBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178654243 1034255973 /nfs/dbraw/zinc/25/59/73/1034255973.db2.gz ZWSQWXJYJLIIFC-GFCCVEGCSA-N 1 0 318.348 3.983 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)cccc1[N+](=O)[O-] ZINC000480543825 1034309889 /nfs/dbraw/zinc/30/98/89/1034309889.db2.gz XQFRRUUAMXATSA-LSDHHAIUSA-N 1 0 307.438 3.530 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880466346 1034338992 /nfs/dbraw/zinc/33/89/92/1034338992.db2.gz MYPJJXYWAMUMJY-FZMZJTMJSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc(=O)oc2ccc3ccccc3c12)[C@H]1CCCO1 ZINC000183180114 1034356736 /nfs/dbraw/zinc/35/67/36/1034356736.db2.gz XKHNRLMDVKQTPX-CXAGYDPISA-N 1 0 323.392 3.603 20 5 DHBDRO C[C@H](C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183256113 1034368779 /nfs/dbraw/zinc/36/87/79/1034368779.db2.gz CLGXYRZNAVMVEP-VUDGCMKMSA-N 1 0 317.414 3.800 20 5 DHBDRO CNC(=O)C(C)(C)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000120126482 1034396084 /nfs/dbraw/zinc/39/60/84/1034396084.db2.gz ORGZIEIGZAHFDV-UHFFFAOYSA-N 1 0 320.436 3.855 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927164543 1034434820 /nfs/dbraw/zinc/43/48/20/1034434820.db2.gz XPCISRNZVXWYQI-WMLDXEAASA-N 1 0 318.417 3.607 20 5 DHBDRO CCS[C@H]1CCCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000480852617 1034474497 /nfs/dbraw/zinc/47/44/97/1034474497.db2.gz CQVLXMQNIUKRTF-INIZCTEOSA-N 1 0 308.447 3.745 20 5 DHBDRO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000184643747 1034489755 /nfs/dbraw/zinc/48/97/55/1034489755.db2.gz WBPDZKKEBYVJTB-GFCCVEGCSA-N 1 0 315.373 3.918 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000481169732 1034625874 /nfs/dbraw/zinc/62/58/74/1034625874.db2.gz FKCLYFVFWIARNR-KBMXLJTQSA-N 1 0 319.449 3.674 20 5 DHBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC(F)(F)C1 ZINC000600164852 1034787348 /nfs/dbraw/zinc/78/73/48/1034787348.db2.gz OJJDVZJJTOYGDR-JTQLQIEISA-N 1 0 323.343 3.642 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000600187937 1034789985 /nfs/dbraw/zinc/78/99/85/1034789985.db2.gz BAXQMQLYGJSAHO-BGXJKKHCSA-N 1 0 318.442 3.968 20 5 DHBDRO CCOCCC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193042156 1034830079 /nfs/dbraw/zinc/83/00/79/1034830079.db2.gz YYJDOKQEBQUHHM-KRWDZBQOSA-N 1 0 318.417 3.769 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCO[C@H](C3CC3)C1)CCC2 ZINC000193291648 1034839645 /nfs/dbraw/zinc/83/96/45/1034839645.db2.gz CEWBIVREJRSYPX-WBAXXEDZSA-N 1 0 316.401 3.519 20 5 DHBDRO CCOC1CC(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193348447 1034842218 /nfs/dbraw/zinc/84/22/18/1034842218.db2.gz DDIGTZINQLHZIB-PVCYVWKFSA-N 1 0 318.417 3.767 20 5 DHBDRO C[C@@H](N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000481578603 1034890904 /nfs/dbraw/zinc/89/09/04/1034890904.db2.gz UVMNCBODKINXCG-XUWVNRHRSA-N 1 0 319.449 3.612 20 5 DHBDRO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC(C)C ZINC000159415809 1035048990 /nfs/dbraw/zinc/04/89/90/1035048990.db2.gz VOMNCAJMMQDDQP-UHFFFAOYSA-N 1 0 315.211 3.835 20 5 DHBDRO C[NH+](C)CCc1ccc(Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC001175737225 1035098413 /nfs/dbraw/zinc/09/84/13/1035098413.db2.gz LYJOGIOWEAPBET-UHFFFAOYSA-N 1 0 303.337 3.582 20 5 DHBDRO COC[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000171051271 1035141011 /nfs/dbraw/zinc/14/10/11/1035141011.db2.gz FRHJEASCYDFDNE-LBPRGKRZSA-N 1 0 320.414 3.695 20 5 DHBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc2ccccc21 ZINC001176217286 1035225396 /nfs/dbraw/zinc/22/53/96/1035225396.db2.gz FSIIJOGVJNOXMU-QGZVFWFLSA-N 1 0 324.384 3.685 20 5 DHBDRO C[C@H](COCC1CCCCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001176335781 1035242889 /nfs/dbraw/zinc/24/28/89/1035242889.db2.gz PYNFYQBJNHQSKL-OAHLLOKOSA-N 1 0 320.433 3.712 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001176657918 1035315695 /nfs/dbraw/zinc/31/56/95/1035315695.db2.gz RERQRSTWAGVHPH-YOEHRIQHSA-N 1 0 316.401 3.614 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001177741854 1035390624 /nfs/dbraw/zinc/39/06/24/1035390624.db2.gz DMDHZAKKUWBXLJ-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccc(F)c(F)c1 ZINC001178504876 1035432126 /nfs/dbraw/zinc/43/21/26/1035432126.db2.gz HVEFQRZGSIMZJA-UHFFFAOYSA-N 1 0 320.339 3.822 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1COc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000905618942 1035595277 /nfs/dbraw/zinc/59/52/77/1035595277.db2.gz QUGJQBOJVCIRJQ-INIZCTEOSA-N 1 0 316.332 3.737 20 5 DHBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000494592822 1035718537 /nfs/dbraw/zinc/71/85/37/1035718537.db2.gz USOUYZXHRDFGEF-KSSFIOAISA-N 1 0 314.385 3.503 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494705578 1035772718 /nfs/dbraw/zinc/77/27/18/1035772718.db2.gz XKWCTTWERMYXRU-GUYCJALGSA-N 1 0 304.390 3.547 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC4(CCC4)C3)co2)cc1 ZINC000089909531 1035794412 /nfs/dbraw/zinc/79/44/12/1035794412.db2.gz GUKPDOADFRZXHJ-UHFFFAOYSA-N 1 0 313.357 3.626 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc2ncccc2c1 ZINC000192982362 1035829199 /nfs/dbraw/zinc/82/91/99/1035829199.db2.gz BDTMLZQIAYYJET-ZZXKWVIFSA-N 1 0 319.364 3.946 20 5 DHBDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC001194193312 1035872931 /nfs/dbraw/zinc/87/29/31/1035872931.db2.gz SMYRPZIGKZKIOO-HZPDHXFCSA-N 1 0 306.406 3.668 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000539849010 1035903155 /nfs/dbraw/zinc/90/31/55/1035903155.db2.gz HNQOABOSYNHDBL-GDBMZVCRSA-N 1 0 306.431 3.763 20 5 DHBDRO COC[C@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC001194478417 1035942722 /nfs/dbraw/zinc/94/27/22/1035942722.db2.gz VEUNVNARSUSKII-SJORKVTESA-N 1 0 320.433 3.693 20 5 DHBDRO CC(C)C(C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC001182226957 1036136156 /nfs/dbraw/zinc/13/61/56/1036136156.db2.gz MVHWKIQUYAFSMR-UHFFFAOYSA-N 1 0 306.406 3.586 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](C/C=C\c2ccncc2)C2CC2)c1 ZINC000495067469 1036213093 /nfs/dbraw/zinc/21/30/93/1036213093.db2.gz OESUPFANTKUNPG-RQOWECAXSA-N 1 0 309.369 3.668 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C/C=C/c2ccncc2)C2CC2)cc1 ZINC000495062298 1036217886 /nfs/dbraw/zinc/21/78/86/1036217886.db2.gz FBNRNEUZFSJRIR-OWOJBTEDSA-N 1 0 309.369 3.668 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCNc1ccccc1)CCC2 ZINC000774220292 1036248710 /nfs/dbraw/zinc/24/87/10/1036248710.db2.gz VMONRCFAEUNUND-GOSISDBHSA-N 1 0 311.385 3.674 20 5 DHBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000271477976 1036255555 /nfs/dbraw/zinc/25/55/55/1036255555.db2.gz MWLQESKYLOTYBP-KRWDZBQOSA-N 1 0 312.369 3.771 20 5 DHBDRO C[N+](C)(C)CCO[C@H]1CCCc2c(Br)cccc21 ZINC001224773253 1036317210 /nfs/dbraw/zinc/31/72/10/1036317210.db2.gz HFEMFNIQAVQFJE-HNNXBMFYSA-N 1 0 313.259 3.549 20 5 DHBDRO COc1ccc2c(c1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000609133953 1036397024 /nfs/dbraw/zinc/39/70/24/1036397024.db2.gz OQMWJJYYLBMJTC-UHFFFAOYSA-N 1 0 312.369 3.552 20 5 DHBDRO CS[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001183146220 1036526577 /nfs/dbraw/zinc/52/65/77/1036526577.db2.gz RJIDJVLKRZKXOT-DTZQCDIJSA-N 1 0 320.458 3.790 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000271840146 1036564966 /nfs/dbraw/zinc/56/49/66/1036564966.db2.gz BJUGWUNYNDEEJI-KBPBESRZSA-N 1 0 314.385 3.807 20 5 DHBDRO C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001196606748 1036571826 /nfs/dbraw/zinc/57/18/26/1036571826.db2.gz WOEHUBWSFRODOM-VQTKUKTRSA-N 1 0 304.390 3.782 20 5 DHBDRO CC1(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CCC1 ZINC000487191720 1036577233 /nfs/dbraw/zinc/57/72/33/1036577233.db2.gz SXDZZRWHBQKMOW-UHFFFAOYSA-N 1 0 302.296 3.893 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000495402030 1036612908 /nfs/dbraw/zinc/61/29/08/1036612908.db2.gz PEDFQXYYQRWWIX-LSDHHAIUSA-N 1 0 314.385 3.755 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001184056361 1036736916 /nfs/dbraw/zinc/73/69/16/1036736916.db2.gz PIKXKHNYIIRJGR-JHDROBOHSA-N 1 0 312.413 3.856 20 5 DHBDRO CCOc1cc(C[N@H+](C)[C@@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000492534855 1036909319 /nfs/dbraw/zinc/90/93/19/1036909319.db2.gz KQNLOTLUMCGVMP-LBPRGKRZSA-N 1 0 312.435 3.567 20 5 DHBDRO CCOc1cc(C[N@H+](C)[C@@H](CC)CSC)ccc1[N+](=O)[O-] ZINC000492723878 1036989927 /nfs/dbraw/zinc/98/99/27/1036989927.db2.gz RHZOAZPNGFITFD-ZDUSSCGKSA-N 1 0 312.435 3.567 20 5 DHBDRO Cc1cc(NCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])s1 ZINC001185017358 1036992918 /nfs/dbraw/zinc/99/29/18/1036992918.db2.gz KLBPMFWNNVOOBN-UHFFFAOYSA-N 1 0 305.403 3.509 20 5 DHBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000488442287 1037010606 /nfs/dbraw/zinc/01/06/06/1037010606.db2.gz UBPYEJAJUCMJIM-DZGCQCFKSA-N 1 0 308.447 3.647 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000492829322 1037026250 /nfs/dbraw/zinc/02/62/50/1037026250.db2.gz KQNVNQMORGVHKH-XHSDSOJGSA-N 1 0 318.417 3.713 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000492914226 1037058424 /nfs/dbraw/zinc/05/84/24/1037058424.db2.gz WTNXJUDJQCXDQM-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC001185231485 1037075878 /nfs/dbraw/zinc/07/58/78/1037075878.db2.gz YZGGVILGLSVSBP-QMMMGPOBSA-N 1 0 318.204 3.796 20 5 DHBDRO CC[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774884327 1037151442 /nfs/dbraw/zinc/15/14/42/1037151442.db2.gz KLSUSGGEECMCGM-OAHLLOKOSA-N 1 0 307.350 3.515 20 5 DHBDRO Cc1cccc(OCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000387119063 1037152335 /nfs/dbraw/zinc/15/23/35/1037152335.db2.gz GXNMNLQTTSRLRA-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC001185631219 1037199968 /nfs/dbraw/zinc/19/99/68/1037199968.db2.gz ZTVXBOUIXNBUEW-UHFFFAOYSA-N 1 0 317.364 3.586 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000776016675 1037313566 /nfs/dbraw/zinc/31/35/66/1037313566.db2.gz UBSCGIZTANWDJZ-SJORKVTESA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090727876 1037442073 /nfs/dbraw/zinc/44/20/73/1037442073.db2.gz LDYWFEPBNXEYMP-VXGBXAGGSA-N 1 0 317.389 3.962 20 5 DHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC1(C)C ZINC000489476486 1037452102 /nfs/dbraw/zinc/45/21/02/1037452102.db2.gz IIQGZOWSISCTGY-HNNXBMFYSA-N 1 0 315.373 3.523 20 5 DHBDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000194414680 1037487950 /nfs/dbraw/zinc/48/79/50/1037487950.db2.gz VSZWROZKWLWZMT-LRDDRELGSA-N 1 0 300.358 3.644 20 5 DHBDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000775052439 1037500896 /nfs/dbraw/zinc/50/08/96/1037500896.db2.gz DHJRFZABHSYDCG-BLLLJJGKSA-N 1 0 319.361 3.515 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CCOc2ccccc2)C2CC2)cc1 ZINC000490830067 1037821516 /nfs/dbraw/zinc/82/15/16/1037821516.db2.gz WAGJFPZHIKYZKI-UHFFFAOYSA-N 1 0 312.369 3.638 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(F)c1 ZINC000491114910 1037907978 /nfs/dbraw/zinc/90/79/78/1037907978.db2.gz QRLMHOBOZAPYNS-OAHLLOKOSA-N 1 0 314.360 3.799 20 5 DHBDRO COC(=O)N1CC([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC001202074622 1038041100 /nfs/dbraw/zinc/04/11/00/1038041100.db2.gz RYFQVTTVGLKATL-UHFFFAOYSA-N 1 0 320.392 3.533 20 5 DHBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1Cl ZINC001202227425 1038116090 /nfs/dbraw/zinc/11/60/90/1038116090.db2.gz LBOWAZCRUFROLN-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000571392210 1038136763 /nfs/dbraw/zinc/13/67/63/1038136763.db2.gz OPDYJFBCCTVKAB-ISJOWMGUSA-N 1 0 322.408 3.844 20 5 DHBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917090465 1038187763 /nfs/dbraw/zinc/18/77/63/1038187763.db2.gz RFLQFWWIWCYZDK-UHFFFAOYSA-N 1 0 305.422 3.543 20 5 DHBDRO CC(C)C[N@H+](CCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC001190549588 1038341709 /nfs/dbraw/zinc/34/17/09/1038341709.db2.gz CJPFXCJACVKIRB-UHFFFAOYSA-N 1 0 313.401 3.691 20 5 DHBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000589111281 1038434067 /nfs/dbraw/zinc/43/40/67/1038434067.db2.gz URUVXYVNEYYZSM-NSHDSACASA-N 1 0 313.348 3.676 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000058092724 1038916437 /nfs/dbraw/zinc/91/64/37/1038916437.db2.gz XMAHXFQPCOSAKV-UHFFFAOYSA-N 1 0 324.302 3.946 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C(F)(F)F)CCCC2)cc1 ZINC000599013301 1038986074 /nfs/dbraw/zinc/98/60/74/1038986074.db2.gz HCJGINTVHPZVNT-UHFFFAOYSA-N 1 0 302.296 3.807 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000598993780 1038986641 /nfs/dbraw/zinc/98/66/41/1038986641.db2.gz OMACJWQCQYYFNA-GOSISDBHSA-N 1 0 311.385 3.929 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCCOC1)CCCC2 ZINC000599058080 1039015656 /nfs/dbraw/zinc/01/56/56/1039015656.db2.gz QQVVOQBVYJPOFU-KDOFPFPSSA-N 1 0 318.417 3.769 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599064139 1039018966 /nfs/dbraw/zinc/01/89/66/1039018966.db2.gz KHLGSEVHASXTMG-KSSFIOAISA-N 1 0 317.433 3.652 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593696018 1039084880 /nfs/dbraw/zinc/08/48/80/1039084880.db2.gz ATZGKNJDOWPEGX-WASHYIJTSA-N 1 0 308.328 3.729 20 5 DHBDRO COCc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000573862321 1039098236 /nfs/dbraw/zinc/09/82/36/1039098236.db2.gz HYJXCZHALAQCMG-KRWDZBQOSA-N 1 0 312.369 3.518 20 5 DHBDRO CC(C)[N@H+](CCC[C@@H]1CCOC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000592061252 1039105057 /nfs/dbraw/zinc/10/50/57/1039105057.db2.gz CFOOKLIJDAOIPQ-MRXNPFEDSA-N 1 0 306.406 3.622 20 5 DHBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000592380905 1039185103 /nfs/dbraw/zinc/18/51/03/1039185103.db2.gz UKAIXKCOGTXJIL-XHDPSFHLSA-N 1 0 318.398 3.838 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000603852126 1039185743 /nfs/dbraw/zinc/18/57/43/1039185743.db2.gz MGCGHSFXAMSXIL-UHFFFAOYSA-N 1 0 314.360 3.941 20 5 DHBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000603854128 1039189326 /nfs/dbraw/zinc/18/93/26/1039189326.db2.gz QZMXGYFISWVGPW-VXGBXAGGSA-N 1 0 311.813 3.923 20 5 DHBDRO Cc1ccc(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000603890543 1039215604 /nfs/dbraw/zinc/21/56/04/1039215604.db2.gz CEHKJYPFQDOKKZ-UHFFFAOYSA-N 1 0 300.358 3.703 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000592398763 1039428933 /nfs/dbraw/zinc/42/89/33/1039428933.db2.gz SSWATBGHUHRDCE-MELADBBJSA-N 1 0 306.406 3.900 20 5 DHBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230143972 1039721457 /nfs/dbraw/zinc/72/14/57/1039721457.db2.gz CXRCDNRNXTYDKA-ZYHUDNBSSA-N 1 0 300.811 3.622 20 5 DHBDRO COCC[C@](C)(O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000172071745 1039727659 /nfs/dbraw/zinc/72/76/59/1039727659.db2.gz QFGIXXFBWWPYEW-NRFANRHFSA-N 1 0 323.436 3.870 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccc(F)c(F)c1 ZINC000594500725 1039801833 /nfs/dbraw/zinc/80/18/33/1039801833.db2.gz SJNNLOVOJFXXGG-INIZCTEOSA-N 1 0 318.323 3.693 20 5 DHBDRO COCCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000594503356 1039803877 /nfs/dbraw/zinc/80/38/77/1039803877.db2.gz WFBAOVPMZKXZTR-MRXNPFEDSA-N 1 0 318.417 3.769 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594507485 1039807604 /nfs/dbraw/zinc/80/76/04/1039807604.db2.gz DJQGTXPVIOOWJG-DOPJRALCSA-N 1 0 318.417 3.902 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594511872 1039812951 /nfs/dbraw/zinc/81/29/51/1039812951.db2.gz RYFTUXKHAORGDX-JORFTBQQSA-N 1 0 316.401 3.545 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000594514701 1039819376 /nfs/dbraw/zinc/81/93/76/1039819376.db2.gz ZQOAUGOZZGINPY-JCURWCKSSA-N 1 0 304.390 3.593 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594612902 1039874231 /nfs/dbraw/zinc/87/42/31/1039874231.db2.gz OUBJFSDCZQVKRV-PFWMLDTASA-N 1 0 316.401 3.642 20 5 DHBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000574787830 1039937779 /nfs/dbraw/zinc/93/77/79/1039937779.db2.gz KZDDAAQNMDEDJH-ZDUSSCGKSA-N 1 0 309.410 3.526 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CO1 ZINC000594969669 1039949499 /nfs/dbraw/zinc/94/94/99/1039949499.db2.gz ZAWZODROSIZYAE-GFCCVEGCSA-N 1 0 316.357 3.512 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000059394239 1039952652 /nfs/dbraw/zinc/95/26/52/1039952652.db2.gz XBVUOHMBZCWXQT-MRXNPFEDSA-N 1 0 321.327 3.588 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CSCCF)cc1[N+](=O)[O-] ZINC000595025108 1039990987 /nfs/dbraw/zinc/99/09/87/1039990987.db2.gz GKYGDLBEMOBFIB-NWDGAFQWSA-N 1 0 300.399 3.645 20 5 DHBDRO CCOC1CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595026371 1039999342 /nfs/dbraw/zinc/99/93/42/1039999342.db2.gz LICDAZRZXAOEFN-UHFFFAOYSA-N 1 0 320.433 3.855 20 5 DHBDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595005799 1040015861 /nfs/dbraw/zinc/01/58/61/1040015861.db2.gz GQAXZNYRDGZETG-OLZOCXBDSA-N 1 0 322.405 3.613 20 5 DHBDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595005801 1040016897 /nfs/dbraw/zinc/01/68/97/1040016897.db2.gz GQAXZNYRDGZETG-STQMWFEESA-N 1 0 322.405 3.613 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595056873 1040023577 /nfs/dbraw/zinc/02/35/77/1040023577.db2.gz RYQZHCXMVXOPJX-XJKSGUPXSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@@H]([NH2+]C/C=C\CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595068496 1040031252 /nfs/dbraw/zinc/03/12/52/1040031252.db2.gz IESGCZIGHHNAIN-QMAVJUDZSA-N 1 0 318.398 3.522 20 5 DHBDRO CCSCC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595029386 1040037754 /nfs/dbraw/zinc/03/77/54/1040037754.db2.gz XWXKFGZSAHTTQG-NWDGAFQWSA-N 1 0 312.435 3.786 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000595051921 1040054660 /nfs/dbraw/zinc/05/46/60/1040054660.db2.gz XHWOETDNCKTBFA-CJNGLKHVSA-N 1 0 304.390 3.519 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000595103659 1040068207 /nfs/dbraw/zinc/06/82/07/1040068207.db2.gz NOQCJGKNEIUWGZ-SUNYJGFJSA-N 1 0 314.385 3.676 20 5 DHBDRO CC(C)(C)OCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595077279 1040069092 /nfs/dbraw/zinc/06/90/92/1040069092.db2.gz QKZREOUVDPEHOZ-MRXNPFEDSA-N 1 0 306.406 3.767 20 5 DHBDRO C[C@]1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000595078864 1040073679 /nfs/dbraw/zinc/07/36/79/1040073679.db2.gz GLWUPQXNXWTGAJ-UKRRQHHQSA-N 1 0 310.344 3.952 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CCC(O)CC1)CCCC2 ZINC000595090682 1040075157 /nfs/dbraw/zinc/07/51/57/1040075157.db2.gz DCTVODVHSQUGRR-PVCYVWKFSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000595426347 1040136362 /nfs/dbraw/zinc/13/63/62/1040136362.db2.gz SZMWXDHZSIXAOM-QGZVFWFLSA-N 1 0 300.333 3.975 20 5 DHBDRO Cc1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)o1 ZINC000595522056 1040160381 /nfs/dbraw/zinc/16/03/81/1040160381.db2.gz IEMLGTMHVKNMDG-HNNXBMFYSA-N 1 0 315.373 3.579 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCCC[C@@H]43)co2)cc1 ZINC000595565886 1040163695 /nfs/dbraw/zinc/16/36/95/1040163695.db2.gz FEDFRZBKUQSHRU-BBRMVZONSA-N 1 0 313.357 3.624 20 5 DHBDRO Cc1noc(C[N@@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595539401 1040168094 /nfs/dbraw/zinc/16/80/94/1040168094.db2.gz LZIPYNLLYARWIT-LSDHHAIUSA-N 1 0 315.373 3.659 20 5 DHBDRO COC[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000575116194 1040172573 /nfs/dbraw/zinc/17/25/73/1040172573.db2.gz XSAATRKIFJSNRV-HZPDHXFCSA-N 1 0 306.406 3.578 20 5 DHBDRO CC(C)[NH+](Cc1cccc([N+](=O)[O-])c1Br)C(C)C ZINC001168422839 1040180676 /nfs/dbraw/zinc/18/06/76/1040180676.db2.gz BGTYYESKSFBWKH-UHFFFAOYSA-N 1 0 315.211 3.976 20 5 DHBDRO CCC(C)(C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595643197 1040210583 /nfs/dbraw/zinc/21/05/83/1040210583.db2.gz VLKOZHBUFGARQH-CYBMUJFWSA-N 1 0 321.421 3.646 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)c(Cl)c1 ZINC000595755073 1040239303 /nfs/dbraw/zinc/23/93/03/1040239303.db2.gz FTUOESZJANZZHL-NSHDSACASA-N 1 0 300.761 3.820 20 5 DHBDRO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(F)CC1 ZINC000595818784 1040249970 /nfs/dbraw/zinc/24/99/70/1040249970.db2.gz JHYXIIWSXAJBDX-KPPDAEKUSA-N 1 0 316.323 3.879 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595788269 1040253639 /nfs/dbraw/zinc/25/36/39/1040253639.db2.gz HXAVPYIEVWQWRP-QGPMSJSTSA-N 1 0 318.417 3.937 20 5 DHBDRO Cc1c(C[NH+]2CCC([C@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000595789218 1040255805 /nfs/dbraw/zinc/25/58/05/1040255805.db2.gz PKCMVVVTWPZONM-GOSISDBHSA-N 1 0 318.417 3.684 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595790439 1040260258 /nfs/dbraw/zinc/26/02/58/1040260258.db2.gz QJAVGOUCLIMJCQ-SJLPKXTDSA-N 1 0 318.417 3.684 20 5 DHBDRO C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000596144518 1040314566 /nfs/dbraw/zinc/31/45/66/1040314566.db2.gz GMIBBVQYXOIXSF-GXSJLCMTSA-N 1 0 317.311 3.508 20 5 DHBDRO CCCCC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000063495629 1040328097 /nfs/dbraw/zinc/32/80/97/1040328097.db2.gz PVPVGJHANHNDQU-UHFFFAOYSA-N 1 0 321.421 3.742 20 5 DHBDRO Cc1cc(NCc2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])s1 ZINC000596204558 1040347265 /nfs/dbraw/zinc/34/72/65/1040347265.db2.gz RUONKRABHYZVIS-UHFFFAOYSA-N 1 0 319.430 3.681 20 5 DHBDRO Cc1c(CN2CC(C)(C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000596593699 1040506679 /nfs/dbraw/zinc/50/66/79/1040506679.db2.gz QZOHCWKOJFFKMD-QGZVFWFLSA-N 1 0 311.385 3.881 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000064029181 1040641135 /nfs/dbraw/zinc/64/11/35/1040641135.db2.gz BLGZMFAJZVVALP-GFCCVEGCSA-N 1 0 321.402 3.888 20 5 DHBDRO Cc1ccc([C@H](CNc2cccc(F)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000064114088 1040669727 /nfs/dbraw/zinc/66/97/27/1040669727.db2.gz HJWCJYQIQAKWQU-INIZCTEOSA-N 1 0 317.364 3.757 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CNc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000593321022 1040713418 /nfs/dbraw/zinc/71/34/18/1040713418.db2.gz WMDCDYZEEKWHIE-ZFWWWQNUSA-N 1 0 311.385 3.591 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCc3ccccc3N2)cs1 ZINC000593319798 1040720116 /nfs/dbraw/zinc/72/01/16/1040720116.db2.gz YDNVWCCXHFMWDT-CQSZACIVSA-N 1 0 317.414 3.563 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc3[nH]cnc3c2)C2CC2)cc1 ZINC000534336986 1040820306 /nfs/dbraw/zinc/82/03/06/1040820306.db2.gz RLSFXKBGSXFLAE-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)Cc1ccccn1 ZINC000594520048 1040880185 /nfs/dbraw/zinc/88/01/85/1040880185.db2.gz YGMKQOGLBSAKQX-IPJDOKCGSA-N 1 0 311.385 3.614 20 5 DHBDRO C[C@H]([NH2+]CCCn1cnc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000122138350 1041042721 /nfs/dbraw/zinc/04/27/21/1041042721.db2.gz YKJHPIVESACNLZ-AWEZNQCLSA-N 1 0 324.384 3.685 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCc4ccccc43)nc2c1 ZINC000602560662 1041097069 /nfs/dbraw/zinc/09/70/69/1041097069.db2.gz ZOIJACBPRQOHCB-ZDUSSCGKSA-N 1 0 323.352 3.556 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CS1 ZINC000602641038 1041126348 /nfs/dbraw/zinc/12/63/48/1041126348.db2.gz OXXUMDQQDDAOQW-LDYMZIIASA-N 1 0 320.336 3.597 20 5 DHBDRO COCc1csc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000594726623 1041131964 /nfs/dbraw/zinc/13/19/64/1041131964.db2.gz MVKMXRCWDUPPGO-LLVKDONJSA-N 1 0 306.387 3.654 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3C[C@H]3c3ccccc3)nc2c1 ZINC000602677137 1041160169 /nfs/dbraw/zinc/16/01/69/1041160169.db2.gz UMUZRBGIIUZHTA-ZFWWWQNUSA-N 1 0 323.352 3.629 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cc3nccs3)CC2)cc1 ZINC000602735646 1041188292 /nfs/dbraw/zinc/18/82/92/1041188292.db2.gz WGPKJIBLYVTJCW-UHFFFAOYSA-N 1 0 317.414 3.506 20 5 DHBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000602800785 1041222115 /nfs/dbraw/zinc/22/21/15/1041222115.db2.gz CICCHXCJCSTQMO-ZDUSSCGKSA-N 1 0 322.434 3.538 20 5 DHBDRO CCOCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000090457033 185297680 /nfs/dbraw/zinc/29/76/80/185297680.db2.gz FEWKYDORZYAKHS-CQSZACIVSA-N 1 0 306.406 3.842 20 5 DHBDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090217912 334943947 /nfs/dbraw/zinc/94/39/47/334943947.db2.gz QEFKCUYFAOMLST-JLJPHGGASA-N 1 0 306.406 3.697 20 5 DHBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193049033 335041577 /nfs/dbraw/zinc/04/15/77/335041577.db2.gz OFJFNEJXKRPFKS-DLBZAZTESA-N 1 0 320.433 3.605 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000193051007 335041455 /nfs/dbraw/zinc/04/14/55/335041455.db2.gz KTJNRWMMCPZPRN-BBWFWOEESA-N 1 0 304.390 3.519 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cn[nH]c1 ZINC000271515705 129928091 /nfs/dbraw/zinc/92/80/91/129928091.db2.gz NSCYMDVEXMSXFC-YPMHNXCESA-N 1 0 320.418 3.539 20 5 DHBDRO Cc1ccncc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272599041 130045046 /nfs/dbraw/zinc/04/50/46/130045046.db2.gz ITVJVVMJJNIWPV-LBPRGKRZSA-N 1 0 319.792 3.845 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000272628153 130048741 /nfs/dbraw/zinc/04/87/41/130048741.db2.gz MSFIFXIZIMZJAU-SNVBAGLBSA-N 1 0 323.755 3.676 20 5 DHBDRO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000273430639 130120292 /nfs/dbraw/zinc/12/02/92/130120292.db2.gz TZLFRVPURCBOEU-INIZCTEOSA-N 1 0 318.373 3.672 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]C2CCSCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279042157 130732271 /nfs/dbraw/zinc/73/22/71/130732271.db2.gz JKMXFHQGGYCGKJ-OAHLLOKOSA-N 1 0 306.431 3.802 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCOCC2)CC1 ZINC000284963544 131126835 /nfs/dbraw/zinc/12/68/35/131126835.db2.gz ZYSRTANEEHBPJO-CQSZACIVSA-N 1 0 304.390 3.548 20 5 DHBDRO CSCc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000285491024 131173499 /nfs/dbraw/zinc/17/34/99/131173499.db2.gz MIYBUVVVJXPLEO-UHFFFAOYSA-N 1 0 302.399 3.748 20 5 DHBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000289464749 131389179 /nfs/dbraw/zinc/38/91/79/131389179.db2.gz YNQCYSGZOPROHB-OAHLLOKOSA-N 1 0 320.414 3.506 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289484379 131389541 /nfs/dbraw/zinc/38/95/41/131389541.db2.gz IOROJLZPPYOOGI-KBRIMQKVSA-N 1 0 316.401 3.689 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298273710 132053899 /nfs/dbraw/zinc/05/38/99/132053899.db2.gz NYOKAOYRFMKSCU-GLQYFDAESA-N 1 0 310.344 3.941 20 5 DHBDRO Cc1ncc(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000299039555 132086832 /nfs/dbraw/zinc/08/68/32/132086832.db2.gz NHMMRMGZSLVOIC-UHFFFAOYSA-N 1 0 311.794 3.645 20 5 DHBDRO C[C@@H](C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC000525875382 335089511 /nfs/dbraw/zinc/08/95/11/335089511.db2.gz SQFZUANEBWTQIU-ZDUSSCGKSA-N 1 0 314.360 3.896 20 5 DHBDRO CCO[C@@H](CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449181060 331937572 /nfs/dbraw/zinc/93/75/72/331937572.db2.gz DRQKFYBKLXECAL-YOEHRIQHSA-N 1 0 308.422 3.567 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000181586239 332201054 /nfs/dbraw/zinc/20/10/54/332201054.db2.gz XXKLDVOTVGFYKT-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000408201458 332241185 /nfs/dbraw/zinc/24/11/85/332241185.db2.gz FMSRIMIXJGXCSK-ZIAGYGMSSA-N 1 0 304.390 3.547 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H]3CCSC3)C2)cc1 ZINC000449495439 332308061 /nfs/dbraw/zinc/30/80/61/332308061.db2.gz DHVCOTQJOBMSBY-DZGCQCFKSA-N 1 0 306.431 3.527 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CO1 ZINC000583381033 332376370 /nfs/dbraw/zinc/37/63/70/332376370.db2.gz SLINLCBVHCFJAK-DGCLKSJQSA-N 1 0 318.398 3.590 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCCSC3)o2)c1 ZINC000561527885 332459371 /nfs/dbraw/zinc/45/93/71/332459371.db2.gz YBHHEDGUTLDDKZ-ZDUSSCGKSA-N 1 0 318.398 3.840 20 5 DHBDRO Cc1c(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cccc1[N+](=O)[O-] ZINC000318165385 332615830 /nfs/dbraw/zinc/61/58/30/332615830.db2.gz KWSOVVWSRZBDKZ-INIZCTEOSA-N 1 0 316.788 3.814 20 5 DHBDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151798212 332619009 /nfs/dbraw/zinc/61/90/09/332619009.db2.gz UVYRLWXYRZQQBE-RYUDHWBXSA-N 1 0 320.414 3.745 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000305139613 333003538 /nfs/dbraw/zinc/00/35/38/333003538.db2.gz LWMGBAZORACYEJ-XKQJLSEDSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@@H]([NH2+]CC1(CO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178875822 333021632 /nfs/dbraw/zinc/02/16/32/333021632.db2.gz GTDBWOQRFLDYDI-MRXNPFEDSA-N 1 0 306.406 3.578 20 5 DHBDRO Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181841578 333034375 /nfs/dbraw/zinc/03/43/75/333034375.db2.gz JUMHSYUJMVSCIC-NSHDSACASA-N 1 0 305.403 3.561 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000182019138 333036619 /nfs/dbraw/zinc/03/66/19/333036619.db2.gz QDSPLLRNYQOKHW-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000378901873 333061567 /nfs/dbraw/zinc/06/15/67/333061567.db2.gz HUVOHQQITWOQLC-HNNXBMFYSA-N 1 0 300.358 3.844 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](CC(C)C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314060732 333085010 /nfs/dbraw/zinc/08/50/10/333085010.db2.gz AIGKPSLLIJXROF-DLBZAZTESA-N 1 0 307.438 3.612 20 5 DHBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000314330885 333103083 /nfs/dbraw/zinc/10/30/83/333103083.db2.gz DBLRBTSTOXJQEK-UHFFFAOYSA-N 1 0 319.327 3.757 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000318902437 333222213 /nfs/dbraw/zinc/22/22/13/333222213.db2.gz SEAOMKOZPZPTCG-NSHDSACASA-N 1 0 315.364 3.795 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(F)c1 ZINC000319273474 333279605 /nfs/dbraw/zinc/27/96/05/333279605.db2.gz DJFPXMNRKKGWGU-CQSZACIVSA-N 1 0 300.333 3.723 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cl)nc1)CCC2 ZINC000192699303 333291716 /nfs/dbraw/zinc/29/17/16/333291716.db2.gz GTVUQUFOURASFE-HNNXBMFYSA-N 1 0 317.776 3.810 20 5 DHBDRO Cc1cc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000390600011 333304777 /nfs/dbraw/zinc/30/47/77/333304777.db2.gz ZZJRQFUSKLULFI-OAHLLOKOSA-N 1 0 313.401 3.836 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1ccc(F)c(F)c1 ZINC000526061800 333340085 /nfs/dbraw/zinc/34/00/85/333340085.db2.gz RTGKEMUKBYURKV-HYXAFXHYSA-N 1 0 318.323 3.719 20 5 DHBDRO CCOC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000186541254 333374577 /nfs/dbraw/zinc/37/45/77/333374577.db2.gz VSYLXYVVQRTLMA-UHFFFAOYSA-N 1 0 318.373 3.760 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000122442633 333395565 /nfs/dbraw/zinc/39/55/65/333395565.db2.gz AXHHSUFHTWMOBJ-GFCCVEGCSA-N 1 0 315.329 3.662 20 5 DHBDRO C[C@@H]([NH2+][C@H]1C[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000411448731 333672015 /nfs/dbraw/zinc/67/20/15/333672015.db2.gz FJJQYJWZOKZOBE-NVGVWMPQSA-N 1 0 300.333 3.941 20 5 DHBDRO CCC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185860692 335154559 /nfs/dbraw/zinc/15/45/59/335154559.db2.gz KGOPDGHBFJNBFO-OAHLLOKOSA-N 1 0 320.389 3.616 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430005284 333700390 /nfs/dbraw/zinc/70/03/90/333700390.db2.gz MEELFKYQHXTOKR-NSHDSACASA-N 1 0 314.332 3.519 20 5 DHBDRO CCC(O)(CC)C(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571538041 333815506 /nfs/dbraw/zinc/81/55/06/333815506.db2.gz MYGLOORORIKODU-HNNXBMFYSA-N 1 0 320.433 3.749 20 5 DHBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000414197415 333912587 /nfs/dbraw/zinc/91/25/87/333912587.db2.gz VSLRSALSJQBNMK-APHBMKBZSA-N 1 0 304.390 3.511 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000414167523 333916739 /nfs/dbraw/zinc/91/67/39/333916739.db2.gz GVOGXGXTULHETP-GRTSSRMGSA-N 1 0 322.405 3.602 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000343548995 335171467 /nfs/dbraw/zinc/17/14/67/335171467.db2.gz KTLOJJQRGAIZMN-YJBOKZPZSA-N 1 0 320.433 3.824 20 5 DHBDRO Cc1c(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000343456684 335170185 /nfs/dbraw/zinc/17/01/85/335170185.db2.gz NCFKEGFOFHMJGP-KRWDZBQOSA-N 1 0 315.348 3.678 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000343548992 335171318 /nfs/dbraw/zinc/17/13/18/335171318.db2.gz KTLOJJQRGAIZMN-CRAIPNDOSA-N 1 0 320.433 3.824 20 5 DHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CC1CCCCC1)C(C)(C)C ZINC000343620335 335181822 /nfs/dbraw/zinc/18/18/22/335181822.db2.gz DRBQHHIXKLFXNE-HNNXBMFYSA-N 1 0 322.453 3.803 20 5 DHBDRO Cc1ccc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)ccc2n1 ZINC000187640547 334266441 /nfs/dbraw/zinc/26/64/41/334266441.db2.gz CCCFDMSRADNKAA-UHFFFAOYSA-N 1 0 307.353 3.741 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000531944311 334300296 /nfs/dbraw/zinc/30/02/96/334300296.db2.gz AASMWGROSNQWDP-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO C[C@@H]([NH2+]CCOC1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000531969470 334327702 /nfs/dbraw/zinc/32/77/02/334327702.db2.gz KHBFWMJIBYIPCM-CQSZACIVSA-N 1 0 306.406 3.985 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000532016041 334372237 /nfs/dbraw/zinc/37/22/37/334372237.db2.gz ZTVLJCZQEKUWIE-HNNXBMFYSA-N 1 0 318.417 3.910 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000532016020 334372338 /nfs/dbraw/zinc/37/23/38/334372338.db2.gz WQHYGMIWMHPLKA-LBPRGKRZSA-N 1 0 314.332 3.661 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309562 334704686 /nfs/dbraw/zinc/70/46/86/334704686.db2.gz IWRXNGXCPPKSSC-VBNZEHGJSA-N 1 0 316.426 3.981 20 5 DHBDRO Cc1noc(C)c1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308526 334704817 /nfs/dbraw/zinc/70/48/17/334704817.db2.gz CXJJVCWKZXAEOZ-KRWDZBQOSA-N 1 0 315.373 3.757 20 5 DHBDRO Cc1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000417347686 334706300 /nfs/dbraw/zinc/70/63/00/334706300.db2.gz HSKVBAFXADKTJJ-GOSISDBHSA-N 1 0 311.385 3.856 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])CC(C)C ZINC000417387344 334790632 /nfs/dbraw/zinc/79/06/32/334790632.db2.gz ZAPLVGDQUZQEBN-ZBFHGGJFSA-N 1 0 308.422 3.567 20 5 DHBDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000343651765 335185173 /nfs/dbraw/zinc/18/51/73/335185173.db2.gz LHFWFQQJGPQDNO-CQSZACIVSA-N 1 0 316.332 3.520 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000348307371 335575087 /nfs/dbraw/zinc/57/50/87/335575087.db2.gz IIJYAXUEENBIPN-ZDUSSCGKSA-N 1 0 302.378 3.531 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN(C)c1ccccc1 ZINC000532199996 335914933 /nfs/dbraw/zinc/91/49/33/335914933.db2.gz LJMIKMTXIFJQTB-OAHLLOKOSA-N 1 0 313.401 3.690 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3ccco3)o2)c1 ZINC000520211031 335939752 /nfs/dbraw/zinc/93/97/52/335939752.db2.gz QZBHVVUGYKUBRC-UHFFFAOYSA-N 1 0 312.325 3.780 20 5 DHBDRO O=[N+]([O-])c1ccc(CNc2[nH+]ccn2-c2ccccc2)c(F)c1 ZINC000351568912 336045462 /nfs/dbraw/zinc/04/54/62/336045462.db2.gz PJNHCXQDPMBIRG-UHFFFAOYSA-N 1 0 312.304 3.532 20 5 DHBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000331545429 336139656 /nfs/dbraw/zinc/13/96/56/336139656.db2.gz HLCLWDALEHLQII-ONERCXAPSA-N 1 0 306.431 3.658 20 5 DHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)n1 ZINC000331691467 336144566 /nfs/dbraw/zinc/14/45/66/336144566.db2.gz BIZKTTLMRQIIPI-CVEARBPZSA-N 1 0 318.421 3.755 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nccs2)CC1 ZINC000332457883 336172302 /nfs/dbraw/zinc/17/23/02/336172302.db2.gz OBVBEGFNMOUGQQ-LBPRGKRZSA-N 1 0 317.414 3.992 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000324661939 336241733 /nfs/dbraw/zinc/24/17/33/336241733.db2.gz GRXGHKMFGXRMQG-ZDUSSCGKSA-N 1 0 322.368 3.836 20 5 DHBDRO Cc1ccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000532450902 336249924 /nfs/dbraw/zinc/24/99/24/336249924.db2.gz LASNXUQAGNTTGT-KRWDZBQOSA-N 1 0 314.385 3.650 20 5 DHBDRO Cc1ccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000532450903 336250022 /nfs/dbraw/zinc/25/00/22/336250022.db2.gz LASNXUQAGNTTGT-QGZVFWFLSA-N 1 0 314.385 3.650 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)s2)cc1 ZINC000102419591 336287159 /nfs/dbraw/zinc/28/71/59/336287159.db2.gz FRRKKJBKVRPKLN-AWEZNQCLSA-N 1 0 318.398 3.592 20 5 DHBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000301139115 336291805 /nfs/dbraw/zinc/29/18/05/336291805.db2.gz GCDUMWIUWAWTJI-INIZCTEOSA-N 1 0 315.373 3.745 20 5 DHBDRO Cc1ccc(NC[C@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301432185 336306420 /nfs/dbraw/zinc/30/64/20/336306420.db2.gz HJVFANLDEXWBJW-CQSZACIVSA-N 1 0 305.403 3.680 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000301820324 336332230 /nfs/dbraw/zinc/33/22/30/336332230.db2.gz AZOGLEDBFXYNEN-YJBOKZPZSA-N 1 0 311.385 3.761 20 5 DHBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000301842161 336333571 /nfs/dbraw/zinc/33/35/71/336333571.db2.gz QBKOTKDIDHLHIL-IRXDYDNUSA-N 1 0 315.348 3.591 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000301899536 336337170 /nfs/dbraw/zinc/33/71/70/336337170.db2.gz YDOXHUKDVMIVBS-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000301973885 336340784 /nfs/dbraw/zinc/34/07/84/336340784.db2.gz BCGQZJLMCHTFOR-LBPRGKRZSA-N 1 0 311.813 3.700 20 5 DHBDRO CC1CC[NH+](C[C@@H]2CCCN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC000301976528 336340985 /nfs/dbraw/zinc/34/09/85/336340985.db2.gz CMRIBCMIOWKLMH-AWEZNQCLSA-N 1 0 323.462 3.605 20 5 DHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302031749 336344275 /nfs/dbraw/zinc/34/42/75/336344275.db2.gz CHYFRVVLBXZGMS-ZIAGYGMSSA-N 1 0 303.406 3.660 20 5 DHBDRO Cc1cccc(NCc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000302512336 336360418 /nfs/dbraw/zinc/36/04/18/336360418.db2.gz TWQIMVBMDKOXMR-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352966403 336379950 /nfs/dbraw/zinc/37/99/50/336379950.db2.gz KNQZSFBQTLPTKM-GJZGRUSLSA-N 1 0 306.406 3.982 20 5 DHBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000563919753 336384235 /nfs/dbraw/zinc/38/42/35/336384235.db2.gz DLAFPPVQENNGLD-VXGBXAGGSA-N 1 0 320.414 3.836 20 5 DHBDRO C[C@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000320902654 336384346 /nfs/dbraw/zinc/38/43/46/336384346.db2.gz ZWJUVKCGXBSNIP-RVKKMQEKSA-N 1 0 319.449 3.756 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]3C3CCC3)c2c1 ZINC000571678994 336392297 /nfs/dbraw/zinc/39/22/97/336392297.db2.gz FCGLLKRCHUGUCE-NVXWUHKLSA-N 1 0 313.401 3.787 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000354699649 336478990 /nfs/dbraw/zinc/47/89/90/336478990.db2.gz GJBVXELBEIXTHI-OCCSQVGLSA-N 1 0 316.357 3.512 20 5 DHBDRO CC[C@@H]([NH2+]CCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358004856 336605768 /nfs/dbraw/zinc/60/57/68/336605768.db2.gz LIJHSODLOMQTIQ-QGZVFWFLSA-N 1 0 318.348 3.854 20 5 DHBDRO CC[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000358310617 336623285 /nfs/dbraw/zinc/62/32/85/336623285.db2.gz YIDHITIRAMYWHC-JLSDUUJJSA-N 1 0 320.433 3.967 20 5 DHBDRO CC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361886902 336776786 /nfs/dbraw/zinc/77/67/86/336776786.db2.gz NNCLIGYSSIEERJ-IRXDYDNUSA-N 1 0 308.422 3.823 20 5 DHBDRO CCC[C@H]([NH2+]Cc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000362128384 336785290 /nfs/dbraw/zinc/78/52/90/336785290.db2.gz FRFOAZFBCZQKAG-INIZCTEOSA-N 1 0 303.337 3.760 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000371636697 336909589 /nfs/dbraw/zinc/90/95/89/336909589.db2.gz DOALVGSIKNJYNP-PBHICJAKSA-N 1 0 318.417 3.794 20 5 DHBDRO C[C@@H](CCOCc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000389967859 336928752 /nfs/dbraw/zinc/92/87/52/336928752.db2.gz PHLOESHUKKEAAN-HNNXBMFYSA-N 1 0 314.385 3.680 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)CCC2 ZINC000583686994 336950073 /nfs/dbraw/zinc/95/00/73/336950073.db2.gz BJCXHYQOLPKZQN-ZWKOTPCHSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000375292363 337007367 /nfs/dbraw/zinc/00/73/67/337007367.db2.gz MMRNMROPAAHLHC-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO Cc1c(C[N@H+]2CC=C(c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000375905417 337022824 /nfs/dbraw/zinc/02/28/24/337022824.db2.gz SLKBFVLCQCKTDL-UHFFFAOYSA-N 1 0 309.369 3.588 20 5 DHBDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000376389884 337032415 /nfs/dbraw/zinc/03/24/15/337032415.db2.gz YKZFMFOGKPUCRN-GJZGRUSLSA-N 1 0 306.406 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000123255841 337041461 /nfs/dbraw/zinc/04/14/61/337041461.db2.gz SJMKEZVLNRCMGX-QGZVFWFLSA-N 1 0 312.369 3.641 20 5 DHBDRO Cc1c(CN2CCC[C@H]2c2nccs2)cccc1[N+](=O)[O-] ZINC000377491121 337053620 /nfs/dbraw/zinc/05/36/20/337053620.db2.gz CIQHGZDKVOEBRC-AWEZNQCLSA-N 1 0 303.387 3.697 20 5 DHBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000377847001 337062512 /nfs/dbraw/zinc/06/25/12/337062512.db2.gz IHEPTOIYJIPVJR-HNNXBMFYSA-N 1 0 318.420 3.690 20 5 DHBDRO Cc1nc(CNc2ccc(Cl)cc2[N+](=O)[O-])c2n1CCCC2 ZINC000378398762 337071710 /nfs/dbraw/zinc/07/17/10/337071710.db2.gz DOKAHQXWGFZRSX-UHFFFAOYSA-N 1 0 320.780 3.702 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000580412315 337398736 /nfs/dbraw/zinc/39/87/36/337398736.db2.gz RMQYDCQJWGCGFH-PBHICJAKSA-N 1 0 318.417 3.910 20 5 DHBDRO CCc1cnc(CC[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)s1 ZINC000130326508 337432823 /nfs/dbraw/zinc/43/28/23/337432823.db2.gz RDDOWUDBCJXAIF-HNNXBMFYSA-N 1 0 319.430 3.897 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000245921584 337498100 /nfs/dbraw/zinc/49/81/00/337498100.db2.gz QVBFFEDAQHNDFI-DXEWXGHRSA-N 1 0 316.401 3.593 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc(F)cc3)c2c1 ZINC000516679594 337602592 /nfs/dbraw/zinc/60/25/92/337602592.db2.gz UYEASTDFSXFVNQ-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccncc1Cl ZINC000421829375 337647145 /nfs/dbraw/zinc/64/71/45/337647145.db2.gz HRKAGCCWEGBNMY-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO Cc1ccccc1OCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536875318 337788123 /nfs/dbraw/zinc/78/81/23/337788123.db2.gz HKWYDNUGBSNSCO-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)cs2)c1 ZINC000424207560 337809361 /nfs/dbraw/zinc/80/93/61/337809361.db2.gz QNEOLZLXKIKUGR-CLLJXQQHSA-N 1 0 315.398 3.606 20 5 DHBDRO CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000089513419 337870463 /nfs/dbraw/zinc/87/04/63/337870463.db2.gz KFFBZAKGDBBBAP-HNNXBMFYSA-N 1 0 300.358 3.991 20 5 DHBDRO CCC(CC)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000537077207 337885309 /nfs/dbraw/zinc/88/53/09/337885309.db2.gz HZHDJPKCGCQDNL-OAHLLOKOSA-N 1 0 322.434 3.620 20 5 DHBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000537310391 337930453 /nfs/dbraw/zinc/93/04/53/337930453.db2.gz DLPGFDAXFVBKMR-INIZCTEOSA-N 1 0 320.776 3.726 20 5 DHBDRO CCOc1cccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000537960938 337962770 /nfs/dbraw/zinc/96/27/70/337962770.db2.gz OLKXYIFELZJFRW-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1Cc3ccccc3C1)CCC2 ZINC000515979387 338001914 /nfs/dbraw/zinc/00/19/14/338001914.db2.gz CEZBRHLNAAFRIG-IBGZPJMESA-N 1 0 308.381 3.729 20 5 DHBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000428454004 338052570 /nfs/dbraw/zinc/05/25/70/338052570.db2.gz QONWOZQQJYNCBQ-NTMALXAHSA-N 1 0 318.417 3.625 20 5 DHBDRO CCCc1nc(C)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000428937830 338065607 /nfs/dbraw/zinc/06/56/07/338065607.db2.gz HCAJHBPZFZJOMX-UHFFFAOYSA-N 1 0 317.389 3.518 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000429414435 338080230 /nfs/dbraw/zinc/08/02/30/338080230.db2.gz XZBVZMOKQJLFNR-LRDDRELGSA-N 1 0 304.390 3.977 20 5 DHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000429680383 338087048 /nfs/dbraw/zinc/08/70/48/338087048.db2.gz HUBVIXNJPFHXNU-CVEARBPZSA-N 1 0 324.446 3.628 20 5 DHBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429768932 338089458 /nfs/dbraw/zinc/08/94/58/338089458.db2.gz QYPRZHITLPAOPM-MLGOLLRUSA-N 1 0 315.373 3.918 20 5 DHBDRO C[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000432145350 338147157 /nfs/dbraw/zinc/14/71/57/338147157.db2.gz RNUBLVVWVNRIAQ-LBPRGKRZSA-N 1 0 323.824 3.559 20 5 DHBDRO CC(C)(C)[NH+]1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432347526 338153717 /nfs/dbraw/zinc/15/37/17/338153717.db2.gz OMHJLZHPGXPEGH-UHFFFAOYSA-N 1 0 311.813 3.923 20 5 DHBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000433046841 338178326 /nfs/dbraw/zinc/17/83/26/338178326.db2.gz QPHPXSHNTALTBI-CMPLNLGQSA-N 1 0 314.332 3.817 20 5 DHBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433227466 338186619 /nfs/dbraw/zinc/18/66/19/338186619.db2.gz LCCDPCPVQRRVFS-CSMYWGQOSA-N 1 0 318.417 3.722 20 5 DHBDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000151933798 338195862 /nfs/dbraw/zinc/19/58/62/338195862.db2.gz YRIWHSGMPLBZDU-KBXCAEBGSA-N 1 0 313.401 3.548 20 5 DHBDRO C[C@H](c1ccco1)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000440906395 338399659 /nfs/dbraw/zinc/39/96/59/338399659.db2.gz HFLGDDBKICAUPJ-CYBMUJFWSA-N 1 0 316.357 3.792 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000194414911 338526671 /nfs/dbraw/zinc/52/66/71/338526671.db2.gz KFFVJXAJFAJWAC-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)cc1F ZINC000449106243 338594095 /nfs/dbraw/zinc/59/40/95/338594095.db2.gz LIDOWTQHPIHBNS-NSHDSACASA-N 1 0 306.312 3.594 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCc3c(F)cccc32)c1 ZINC000449352053 338616796 /nfs/dbraw/zinc/61/67/96/338616796.db2.gz RYJMFIXJTXSIJV-QGZVFWFLSA-N 1 0 300.333 3.901 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC2(OC)CCCC2)cc1[N+](=O)[O-] ZINC000453219823 338809535 /nfs/dbraw/zinc/80/95/35/338809535.db2.gz IEVQKSHIBQJOBW-ZDUSSCGKSA-N 1 0 322.405 3.603 20 5 DHBDRO Cc1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000453284311 338818558 /nfs/dbraw/zinc/81/85/58/338818558.db2.gz IEIKLXXAQOKSQM-KRWDZBQOSA-N 1 0 311.385 3.810 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2=CCOCC2)c2ccccc2)c1 ZINC000453286359 338818893 /nfs/dbraw/zinc/81/88/93/338818893.db2.gz KCQBLTGOPMWBIF-IBGZPJMESA-N 1 0 324.380 3.621 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453307921 338822021 /nfs/dbraw/zinc/82/20/21/338822021.db2.gz CMFRWKLAJJDPSC-RHSMWYFYSA-N 1 0 318.417 3.985 20 5 DHBDRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453402508 338838862 /nfs/dbraw/zinc/83/88/62/338838862.db2.gz AFVMOLPNLYINEF-HZSPNIEDSA-N 1 0 308.426 3.689 20 5 DHBDRO CC[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453405745 338839261 /nfs/dbraw/zinc/83/92/61/338839261.db2.gz FFPVNUMRPYHLOF-BBRMVZONSA-N 1 0 306.406 3.841 20 5 DHBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459754238 339046389 /nfs/dbraw/zinc/04/63/89/339046389.db2.gz JGNSVSJYSVXIJI-DAXOMENPSA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459788606 339048625 /nfs/dbraw/zinc/04/86/25/339048625.db2.gz FHURLSRUXUUYEL-JEBQAFNWSA-N 1 0 318.417 3.529 20 5 DHBDRO CCC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000459788759 339048671 /nfs/dbraw/zinc/04/86/71/339048671.db2.gz FOHVYTIDTQFRTH-ZDUSSCGKSA-N 1 0 303.362 3.794 20 5 DHBDRO Cc1cc(NC[C@H](c2cccs2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000461734749 339066183 /nfs/dbraw/zinc/06/61/83/339066183.db2.gz QIPPEPNAHLGWLE-CQSZACIVSA-N 1 0 323.393 3.819 20 5 DHBDRO Cc1cc(NC[C@@H](c2cccs2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000461734745 339066227 /nfs/dbraw/zinc/06/62/27/339066227.db2.gz QIPPEPNAHLGWLE-AWEZNQCLSA-N 1 0 323.393 3.819 20 5 DHBDRO CC[NH+](CC)CC1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461776071 339067009 /nfs/dbraw/zinc/06/70/09/339067009.db2.gz BBTQXEDXIIWSTD-UHFFFAOYSA-N 1 0 323.412 3.601 20 5 DHBDRO CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H](C)OC ZINC000462828717 339092824 /nfs/dbraw/zinc/09/28/24/339092824.db2.gz ZHAAEJRHQPRHIV-CYBMUJFWSA-N 1 0 318.373 3.712 20 5 DHBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000463027220 339101325 /nfs/dbraw/zinc/10/13/25/339101325.db2.gz CVHBEXPHEJRIPD-VBNZEHGJSA-N 1 0 306.406 3.838 20 5 DHBDRO Cc1cc(NCc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000466436487 339205017 /nfs/dbraw/zinc/20/50/17/339205017.db2.gz LFGYANKFPWNZQK-UHFFFAOYSA-N 1 0 313.401 3.619 20 5 DHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467834821 339247240 /nfs/dbraw/zinc/24/72/40/339247240.db2.gz MSHSWVVQQGYMDC-QXSJWSMHSA-N 1 0 319.449 3.612 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000468002735 339250915 /nfs/dbraw/zinc/25/09/15/339250915.db2.gz GBOQHRGTHXXECH-GFCCVEGCSA-N 1 0 312.360 3.941 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000468010210 339251116 /nfs/dbraw/zinc/25/11/16/339251116.db2.gz VKELRLZXUNWNNA-INIZCTEOSA-N 1 0 300.333 3.554 20 5 DHBDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468547713 339265850 /nfs/dbraw/zinc/26/58/50/339265850.db2.gz KKFOODLNFQVRCI-QAPCUYQASA-N 1 0 322.449 3.693 20 5 DHBDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468553578 339266065 /nfs/dbraw/zinc/26/60/65/339266065.db2.gz LSMQSUCECARLME-LSDHHAIUSA-N 1 0 313.401 3.532 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000468612617 339267005 /nfs/dbraw/zinc/26/70/05/339267005.db2.gz ZMAFOYBVJGPJGG-HGXPIFGLSA-N 1 0 318.417 3.793 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)CCC(C)C ZINC000468627631 339267374 /nfs/dbraw/zinc/26/73/74/339267374.db2.gz GHLQTEDJEBMKLE-KAPURRDVSA-N 1 0 320.433 3.775 20 5 DHBDRO COc1ccccc1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468636081 339267667 /nfs/dbraw/zinc/26/76/67/339267667.db2.gz WWQJGDVUDRCPLA-UVTDQMKNSA-N 1 0 312.369 3.797 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000468648518 339268016 /nfs/dbraw/zinc/26/80/16/339268016.db2.gz QCYLLLUAFAYRIA-BYPLOIIRSA-N 1 0 304.390 3.545 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CCO)CC(C)C ZINC000468735310 339269489 /nfs/dbraw/zinc/26/94/89/339269489.db2.gz SCEITVNWESUZPY-XBNGYDHASA-N 1 0 320.433 3.632 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469467988 339290661 /nfs/dbraw/zinc/29/06/61/339290661.db2.gz DGRUDQHGXKLOMR-CYBMUJFWSA-N 1 0 318.323 3.863 20 5 DHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000469780395 339299361 /nfs/dbraw/zinc/29/93/61/339299361.db2.gz OLLNIICPNIEKLR-HOTGVXAUSA-N 1 0 324.446 3.628 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000470184663 339313395 /nfs/dbraw/zinc/31/33/95/339313395.db2.gz SUFOFGUUVUGPAH-IDGGIGOKSA-N 1 0 318.417 3.745 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470954777 339332622 /nfs/dbraw/zinc/33/26/22/339332622.db2.gz CCAYTKHMDBMQTM-JFGNBEQYSA-N 1 0 302.296 3.929 20 5 DHBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000471522761 339346708 /nfs/dbraw/zinc/34/67/08/339346708.db2.gz PAEIEVOLAHAAFT-DGCLKSJQSA-N 1 0 311.813 3.557 20 5 DHBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000471522760 339346749 /nfs/dbraw/zinc/34/67/49/339346749.db2.gz PAEIEVOLAHAAFT-AAEUAGOBSA-N 1 0 311.813 3.557 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCC1 ZINC000475194691 339440951 /nfs/dbraw/zinc/44/09/51/339440951.db2.gz QWYUMIMTTJQBIP-SECBINFHSA-N 1 0 302.296 3.892 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CCC(C)(C)C ZINC000475666373 339458645 /nfs/dbraw/zinc/45/86/45/339458645.db2.gz BUKOGGOTXSLMIJ-GOEBONIOSA-N 1 0 322.449 3.693 20 5 DHBDRO C[C@@](O)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000480455811 339573585 /nfs/dbraw/zinc/57/35/85/339573585.db2.gz WIWOVUUHGWPFRE-YPLUBFQTSA-N 1 0 318.417 3.529 20 5 DHBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000482144685 339624515 /nfs/dbraw/zinc/62/45/15/339624515.db2.gz RBRNWMUNKYQIQP-IAGOWNOFSA-N 1 0 319.449 3.585 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000485775644 339712507 /nfs/dbraw/zinc/71/25/07/339712507.db2.gz UXSJXSCOQDTILE-HNNXBMFYSA-N 1 0 317.433 3.524 20 5 DHBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487213143 339746508 /nfs/dbraw/zinc/74/65/08/339746508.db2.gz XOOHPRWONJYXEQ-RNCFNFMXSA-N 1 0 302.296 3.892 20 5 DHBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487213142 339746591 /nfs/dbraw/zinc/74/65/91/339746591.db2.gz XOOHPRWONJYXEQ-NOZJJQNGSA-N 1 0 302.296 3.892 20 5 DHBDRO CC1(C)C[C@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000489068884 339801223 /nfs/dbraw/zinc/80/12/23/339801223.db2.gz OLYGXNAFLWTNFE-ZDUSSCGKSA-N 1 0 300.358 3.991 20 5 DHBDRO COCC[C@H]1CCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000502456626 340104363 /nfs/dbraw/zinc/10/43/63/340104363.db2.gz ZKTRXTPAFIVKCK-AEFFLSMTSA-N 1 0 320.433 3.712 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503858654 340135287 /nfs/dbraw/zinc/13/52/87/340135287.db2.gz RHIDKCCCXVWMKY-ZLKJLUDKSA-N 1 0 314.332 3.714 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000503926717 340137057 /nfs/dbraw/zinc/13/70/57/340137057.db2.gz GZACOGIDNUGUNR-ZFWWWQNUSA-N 1 0 306.406 3.623 20 5 DHBDRO COc1ccccc1CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000505472254 340169109 /nfs/dbraw/zinc/16/91/09/340169109.db2.gz RFQLYRMUAVZUMQ-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000505565669 340171136 /nfs/dbraw/zinc/17/11/36/340171136.db2.gz WNUYYHXCICLNPZ-UHFFFAOYSA-N 1 0 314.385 3.552 20 5 DHBDRO COc1cc(C[N@H+](C)CC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000506340442 340192808 /nfs/dbraw/zinc/19/28/08/340192808.db2.gz LWXDDMWSRGDYMT-UHFFFAOYSA-N 1 0 322.405 3.624 20 5 DHBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000506439805 340194573 /nfs/dbraw/zinc/19/45/73/340194573.db2.gz QUSNCWJFYVCSAX-MRXNPFEDSA-N 1 0 319.449 3.634 20 5 DHBDRO CC[N@H+](CCOC)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506460979 340194914 /nfs/dbraw/zinc/19/49/14/340194914.db2.gz SAOLHYVSJUASIM-UHFFFAOYSA-N 1 0 320.414 3.792 20 5 DHBDRO C[C@H]([NH2+]CC1(C(F)(F)F)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000507246164 340215430 /nfs/dbraw/zinc/21/54/30/340215430.db2.gz HGVACDGYRLKVQN-JTQLQIEISA-N 1 0 302.296 3.978 20 5 DHBDRO CC[C@H]1C[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000507791525 340231616 /nfs/dbraw/zinc/23/16/16/340231616.db2.gz CQCORGJYFZINBD-YJBOKZPZSA-N 1 0 318.417 3.764 20 5 DHBDRO COCC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000509949922 340283679 /nfs/dbraw/zinc/28/36/79/340283679.db2.gz UKSNDMVFNNKAGB-DYLHUKMJSA-N 1 0 306.406 3.649 20 5 DHBDRO Cc1cc(F)ccc1CN(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510791517 340311248 /nfs/dbraw/zinc/31/12/48/340311248.db2.gz MQGOENSQUCCSKL-UHFFFAOYSA-N 1 0 324.302 3.953 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000511000021 340317634 /nfs/dbraw/zinc/31/76/34/340317634.db2.gz PXLXSVKHPWPYNV-GJZGRUSLSA-N 1 0 308.809 3.959 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000511000019 340317655 /nfs/dbraw/zinc/31/76/55/340317655.db2.gz PXLXSVKHPWPYNV-CABCVRRESA-N 1 0 308.809 3.959 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000512188531 340351529 /nfs/dbraw/zinc/35/15/29/340351529.db2.gz ZSMDVZPOEOLQBD-HLLBOEOZSA-N 1 0 317.433 3.523 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000191933434 340560333 /nfs/dbraw/zinc/56/03/33/340560333.db2.gz IAXIVRYQEYKZPK-AEFFLSMTSA-N 1 0 312.369 3.523 20 5 DHBDRO CC(C)CCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000193106411 340572532 /nfs/dbraw/zinc/57/25/32/340572532.db2.gz NGDKCFLEBVDGGV-UHFFFAOYSA-N 1 0 306.406 3.622 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(c2ccccc2F)C1 ZINC000237810232 340674044 /nfs/dbraw/zinc/67/40/44/340674044.db2.gz MUJWXBWKUPFSQU-UHFFFAOYSA-N 1 0 300.333 3.770 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000539058350 340868832 /nfs/dbraw/zinc/86/88/32/340868832.db2.gz DHAOFICBOSWVCX-HDMKZQKVSA-N 1 0 320.433 3.885 20 5 DHBDRO COc1cc(F)cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539061578 340869309 /nfs/dbraw/zinc/86/93/09/340869309.db2.gz WEQIMBMTSUDMKV-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000539553520 340890370 /nfs/dbraw/zinc/89/03/70/340890370.db2.gz AZBJMJHHWBEBCQ-RHSMWYFYSA-N 1 0 306.406 3.623 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1(C2CC2)CC1 ZINC000539655364 340894673 /nfs/dbraw/zinc/89/46/73/340894673.db2.gz RLIFMUQWEZKSRB-XJKSGUPXSA-N 1 0 300.402 3.838 20 5 DHBDRO C[C@@H]([NH2+]CCOc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000540194319 340922756 /nfs/dbraw/zinc/92/27/56/340922756.db2.gz GINFSSCNGYHCFN-GFCCVEGCSA-N 1 0 320.776 3.978 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1cscn1 ZINC000129995211 340992452 /nfs/dbraw/zinc/99/24/52/340992452.db2.gz PJZMZPWIFRFUEE-DOMZBBRYSA-N 1 0 317.414 3.552 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCS1 ZINC000542496681 341010475 /nfs/dbraw/zinc/01/04/75/341010475.db2.gz BZAOEFZBKSSMFB-UKRRQHHQSA-N 1 0 308.447 3.791 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1ccc(F)c(F)c1F ZINC000542693397 341017492 /nfs/dbraw/zinc/01/74/92/341017492.db2.gz XHGQCCHIEKDPLV-UHFFFAOYSA-N 1 0 324.302 3.653 20 5 DHBDRO C[C@H]([NH2+]CCCNc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000543417730 341043510 /nfs/dbraw/zinc/04/35/10/341043510.db2.gz YXDJIGIJHOXAQU-ZDUSSCGKSA-N 1 0 317.364 3.887 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000544440535 341082294 /nfs/dbraw/zinc/08/22/94/341082294.db2.gz SNSRTRIXSNYNIN-IAOVAPTHSA-N 1 0 320.433 3.693 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000131462407 341090342 /nfs/dbraw/zinc/09/03/42/341090342.db2.gz ZOWCLHXTIXAXCZ-KSSFIOAISA-N 1 0 314.385 3.942 20 5 DHBDRO CC(C)c1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000132092996 341116222 /nfs/dbraw/zinc/11/62/22/341116222.db2.gz DAARQCUXTPWNKQ-UHFFFAOYSA-N 1 0 305.403 3.507 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@@H]1CCCCO1 ZINC000545457497 341125860 /nfs/dbraw/zinc/12/58/60/341125860.db2.gz HYYACOMCUATZGF-HOCLYGCPSA-N 1 0 306.406 3.903 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000078973097 341250818 /nfs/dbraw/zinc/25/08/18/341250818.db2.gz AYDKWMKJUNGILI-VXGBXAGGSA-N 1 0 314.341 3.735 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1N(C)C ZINC000548722073 341270696 /nfs/dbraw/zinc/27/06/96/341270696.db2.gz ZFLYJENJHWBZKV-AWEZNQCLSA-N 1 0 313.401 3.554 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1sccc1Cl ZINC000549467375 341295454 /nfs/dbraw/zinc/29/54/54/341295454.db2.gz CGBLMZBMWCAECF-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO Cc1ccc([C@@H]2CC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000549932459 341307224 /nfs/dbraw/zinc/30/72/24/341307224.db2.gz SJYYBCZVKIGBJL-OAHLLOKOSA-N 1 0 312.369 3.598 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000550063118 341309230 /nfs/dbraw/zinc/30/92/30/341309230.db2.gz GGPUTEGRWGOJLK-CRAIPNDOSA-N 1 0 320.433 3.695 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000550211419 341312536 /nfs/dbraw/zinc/31/25/36/341312536.db2.gz INCOZMQOVLVTEG-OAHLLOKOSA-N 1 0 314.360 3.766 20 5 DHBDRO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000551308056 341337953 /nfs/dbraw/zinc/33/79/53/341337953.db2.gz JSMBXDIWDYTOCN-QLFBSQMISA-N 1 0 320.437 3.691 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCSC(C)C)cc1[N+](=O)[O-] ZINC000554086468 341443299 /nfs/dbraw/zinc/44/32/99/341443299.db2.gz MKUNPPSGJQNUES-LBPRGKRZSA-N 1 0 312.435 3.786 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOc1ccccc1 ZINC000155256560 341605045 /nfs/dbraw/zinc/60/50/45/341605045.db2.gz OLDARQUVHSEXQO-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CS1 ZINC000575235383 341788839 /nfs/dbraw/zinc/78/88/39/341788839.db2.gz BIHWEQBJUMUNLV-KFNAQCHYSA-N 1 0 306.431 3.846 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000192359574 341799792 /nfs/dbraw/zinc/79/97/92/341799792.db2.gz BUBVWQARCOOPSF-QGZVFWFLSA-N 1 0 312.369 3.510 20 5 DHBDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000575762317 341803223 /nfs/dbraw/zinc/80/32/23/341803223.db2.gz PRIAVSKJQBVZBN-SKDZVZGDSA-N 1 0 318.417 3.623 20 5 DHBDRO C[C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000575832363 341807473 /nfs/dbraw/zinc/80/74/73/341807473.db2.gz ZGPPVHLQYBADLX-OCCSQVGLSA-N 1 0 301.390 3.787 20 5 DHBDRO CCCC(O)(CCC)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576360635 341842621 /nfs/dbraw/zinc/84/26/21/341842621.db2.gz VLFPQPDKKCOINH-OAHLLOKOSA-N 1 0 306.406 3.503 20 5 DHBDRO CCOCC(C)(C)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000577243080 341899807 /nfs/dbraw/zinc/89/98/07/341899807.db2.gz DSOMTJXAFFQKLK-AWEZNQCLSA-N 1 0 308.422 3.568 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654280 341960993 /nfs/dbraw/zinc/96/09/93/341960993.db2.gz VLWHWTTYTZRIDX-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178693715 341962045 /nfs/dbraw/zinc/96/20/45/341962045.db2.gz WQGOKXQCBHQPEU-LXZKKBNFSA-N 1 0 306.406 3.697 20 5 DHBDRO CCC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000268978590 519842872 /nfs/dbraw/zinc/84/28/72/519842872.db2.gz NZVJABGERXQUTB-HNNXBMFYSA-N 1 0 320.433 3.712 20 5 DHBDRO CCC[C@@H]([NH2+]CCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000108943127 520773674 /nfs/dbraw/zinc/77/36/74/520773674.db2.gz QIMRELPOFUFVQZ-CYBMUJFWSA-N 1 0 320.311 3.605 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000156012471 520774628 /nfs/dbraw/zinc/77/46/28/520774628.db2.gz UPXOHHXOUBGFSL-QGZVFWFLSA-N 1 0 317.389 3.873 20 5 DHBDRO CC[C@H]([NH2+]CCCO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000338279842 522586913 /nfs/dbraw/zinc/58/69/13/522586913.db2.gz GTXPCZAOWYTQKL-DLBZAZTESA-N 1 0 322.405 3.569 20 5 DHBDRO COC1(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000339448630 522595536 /nfs/dbraw/zinc/59/55/36/522595536.db2.gz VEGODLHGTRQWNH-UHFFFAOYSA-N 1 0 306.406 3.767 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000163153266 522608824 /nfs/dbraw/zinc/60/88/24/522608824.db2.gz UZLBOKGZUXLAAB-DLBZAZTESA-N 1 0 306.406 3.577 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cnc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000181543517 522888713 /nfs/dbraw/zinc/88/87/13/522888713.db2.gz MEENCRFVDOZGOF-GFCCVEGCSA-N 1 0 311.794 3.946 20 5 DHBDRO COCc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000158534059 523057989 /nfs/dbraw/zinc/05/79/89/523057989.db2.gz BOYGHBXTWCCWOI-CQSZACIVSA-N 1 0 314.385 3.900 20 5 DHBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000339446580 525268102 /nfs/dbraw/zinc/26/81/02/525268102.db2.gz CLSYTJKACMMQBT-GDBMZVCRSA-N 1 0 302.399 3.940 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000122384285 525460713 /nfs/dbraw/zinc/46/07/13/525460713.db2.gz FWCKAKHUJKUCPL-MRXNPFEDSA-N 1 0 316.332 3.520 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000127309228 525622444 /nfs/dbraw/zinc/62/24/44/525622444.db2.gz NCVOVLSSOHUGJD-ZFWWWQNUSA-N 1 0 304.390 3.737 20 5 DHBDRO CC[C@@H]([NH2+]CCC1(COC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000293720703 535803320 /nfs/dbraw/zinc/80/33/20/535803320.db2.gz NPXVYSNEFRRGIJ-MRXNPFEDSA-N 1 0 306.406 3.842 20 5 DHBDRO COCC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000272133422 536808751 /nfs/dbraw/zinc/80/87/51/536808751.db2.gz XFASPAFUEBHKTD-XJKSGUPXSA-N 1 0 318.373 3.925 20 5 DHBDRO CN(C)C(=O)CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000237140097 1013147921 /nfs/dbraw/zinc/14/79/21/1013147921.db2.gz FLWOVQZZBWWTHQ-UHFFFAOYSA-N 1 0 320.436 3.951 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000340106995 1013303704 /nfs/dbraw/zinc/30/37/04/1013303704.db2.gz WKTJWPHCTHSPKD-JXTAAOLFSA-N 1 0 309.369 3.744 20 5 DHBDRO F[C@H]1CNCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001210611225 1013973950 /nfs/dbraw/zinc/97/39/50/1013973950.db2.gz QMMOUUOGCQILFU-KRWDZBQOSA-N 1 0 308.400 3.736 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2C3CCCC2CCC3)cc1 ZINC000610370168 1013999027 /nfs/dbraw/zinc/99/90/27/1013999027.db2.gz ZQYJUDJLNYGYRS-UHFFFAOYSA-N 1 0 304.390 3.771 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCC2CC2)CC1 ZINC000610372090 1014001959 /nfs/dbraw/zinc/00/19/59/1014001959.db2.gz IDJYDKJKANFDFS-CYBMUJFWSA-N 1 0 304.390 3.547 20 5 DHBDRO CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000580121419 1014037509 /nfs/dbraw/zinc/03/75/09/1014037509.db2.gz PEWMJFIKTBMAHR-LSDHHAIUSA-N 1 0 307.438 3.674 20 5 DHBDRO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000580121418 1014037760 /nfs/dbraw/zinc/03/77/60/1014037760.db2.gz PEWMJFIKTBMAHR-GJZGRUSLSA-N 1 0 307.438 3.674 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000579497982 1014069003 /nfs/dbraw/zinc/06/90/03/1014069003.db2.gz MSPMRMNIKMGHDA-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO CCOC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000319880843 1014262921 /nfs/dbraw/zinc/26/29/21/1014262921.db2.gz XHSBTCUUCOMUNA-AWEZNQCLSA-N 1 0 306.406 3.903 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000579764990 1014270691 /nfs/dbraw/zinc/27/06/91/1014270691.db2.gz QWXJGHAWAIUZNI-NZHZHZHDSA-N 1 0 318.417 3.625 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cs1 ZINC000537624087 1014314509 /nfs/dbraw/zinc/31/45/09/1014314509.db2.gz SXXMZCGAXDEHKN-CYBMUJFWSA-N 1 0 320.389 3.860 20 5 DHBDRO CCC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000320030441 1014373137 /nfs/dbraw/zinc/37/31/37/1014373137.db2.gz JNRYDSWFPIODPT-KSZLIROESA-N 1 0 317.433 3.652 20 5 DHBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccccc1F)C1CC1 ZINC000067445725 1014407122 /nfs/dbraw/zinc/40/71/22/1014407122.db2.gz DQDWBJMQWWYQSP-UHFFFAOYSA-N 1 0 300.333 3.899 20 5 DHBDRO CCC[C@H](NCc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090720006 1014617883 /nfs/dbraw/zinc/61/78/83/1014617883.db2.gz WWSSHQIKXAHYJK-HNNXBMFYSA-N 1 0 303.337 3.760 20 5 DHBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1cccs1 ZINC000521191803 1014660790 /nfs/dbraw/zinc/66/07/90/1014660790.db2.gz CCYMEFHCNKBCRA-UHFFFAOYSA-N 1 0 320.414 3.600 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000357991825 1014770664 /nfs/dbraw/zinc/77/06/64/1014770664.db2.gz JMJAFVKYBAPXEQ-MRXNPFEDSA-N 1 0 300.358 3.844 20 5 DHBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000443069029 1014800031 /nfs/dbraw/zinc/80/00/31/1014800031.db2.gz ODUUIMRBRLJJDU-UKRRQHHQSA-N 1 0 306.406 3.718 20 5 DHBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000443069027 1014801325 /nfs/dbraw/zinc/80/13/25/1014801325.db2.gz ODUUIMRBRLJJDU-DZGCQCFKSA-N 1 0 306.406 3.718 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000610505474 1014807986 /nfs/dbraw/zinc/80/79/86/1014807986.db2.gz MBZSGYKTQTTWEW-KRWDZBQOSA-N 1 0 300.333 3.723 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000121341542 1014813016 /nfs/dbraw/zinc/81/30/16/1014813016.db2.gz RDRBFMKKBOBVHR-AWEZNQCLSA-N 1 0 303.362 3.749 20 5 DHBDRO C[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)[NH+]1CCCCCC1 ZINC000276205663 1014839576 /nfs/dbraw/zinc/83/95/76/1014839576.db2.gz OCKBBAJDWASEPV-LBPRGKRZSA-N 1 0 316.361 3.582 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000078973110 1014874779 /nfs/dbraw/zinc/87/47/79/1014874779.db2.gz FCUHKIMGUQJJSV-RYUDHWBXSA-N 1 0 314.341 3.735 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H](O)C(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000320173375 1014947575 /nfs/dbraw/zinc/94/75/75/1014947575.db2.gz JXZNXRTUTWZSFY-SJORKVTESA-N 1 0 308.422 3.823 20 5 DHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000429678621 1014963223 /nfs/dbraw/zinc/96/32/23/1014963223.db2.gz GBBJSISCRJUZEY-ZBFHGGJFSA-N 1 0 324.446 3.757 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000610517921 1015094860 /nfs/dbraw/zinc/09/48/60/1015094860.db2.gz NVVCNISHSSFRIZ-CYBMUJFWSA-N 1 0 316.405 3.706 20 5 DHBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOc2ccccc21 ZINC000933371026 1015221278 /nfs/dbraw/zinc/22/12/78/1015221278.db2.gz PRGTZYUVEIIYTE-KRWDZBQOSA-N 1 0 316.332 3.521 20 5 DHBDRO Cc1ccc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000895658900 1015245709 /nfs/dbraw/zinc/24/57/09/1015245709.db2.gz PGXJMTYIRIUSPQ-KRWDZBQOSA-N 1 0 314.385 3.505 20 5 DHBDRO Cc1nc(C)c(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000157948230 1015342945 /nfs/dbraw/zinc/34/29/45/1015342945.db2.gz HDMSMNNQDBGKFE-LLVKDONJSA-N 1 0 319.430 3.870 20 5 DHBDRO Cc1cc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cnc1F ZINC000891622272 1015460663 /nfs/dbraw/zinc/46/06/63/1015460663.db2.gz FQSIORHGUFJCRL-UHFFFAOYSA-N 1 0 315.348 3.602 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000477867428 1015737230 /nfs/dbraw/zinc/73/72/30/1015737230.db2.gz TVTVKPYEAFOTJH-KSSFIOAISA-N 1 0 320.433 3.885 20 5 DHBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000610717403 1015741235 /nfs/dbraw/zinc/74/12/35/1015741235.db2.gz FTDNCJXIMZHYHF-LKUPDRCFSA-N 1 0 318.417 3.793 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1nc(C)sc1C ZINC000611012315 1016014261 /nfs/dbraw/zinc/01/42/61/1016014261.db2.gz MAYLVTMUJSOUIE-VIFPVBQESA-N 1 0 321.402 3.528 20 5 DHBDRO C=C/C=C/CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167499567 1016073302 /nfs/dbraw/zinc/07/33/02/1016073302.db2.gz LDYMBFROWGRYKJ-ONEGZZNKSA-N 1 0 302.374 3.570 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]C3(C)CCC3)o2)c([N+](=O)[O-])c1 ZINC000538593912 1016145516 /nfs/dbraw/zinc/14/55/16/1016145516.db2.gz LPPNLPSHQZIDDY-UHFFFAOYSA-N 1 0 316.357 3.896 20 5 DHBDRO C[C@H](c1cccs1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534928 1016202526 /nfs/dbraw/zinc/20/25/26/1016202526.db2.gz YISZBGWNSOYSDH-GFCCVEGCSA-N 1 0 306.387 3.728 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000846905883 1032144075 /nfs/dbraw/zinc/14/40/75/1032144075.db2.gz MODXMRXQKLOVRC-CYBMUJFWSA-N 1 0 317.776 3.633 20 5 DHBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000071954212 1016278873 /nfs/dbraw/zinc/27/88/73/1016278873.db2.gz WASVFEWCECDWBE-RYUDHWBXSA-N 1 0 311.813 3.781 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281275309 1016430140 /nfs/dbraw/zinc/43/01/40/1016430140.db2.gz YTPRRFYTVMRNEM-OLZOCXBDSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@@H](c1cccs1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051502046 1016485955 /nfs/dbraw/zinc/48/59/55/1016485955.db2.gz WGYAKAIIZSPTNT-LBPRGKRZSA-N 1 0 306.387 3.728 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000444009369 1016578198 /nfs/dbraw/zinc/57/81/98/1016578198.db2.gz NDKUOQJHZQXTMA-VMPITWQZSA-N 1 0 323.396 3.672 20 5 DHBDRO CC[C@H](NCC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000346870042 1016618662 /nfs/dbraw/zinc/61/86/62/1016618662.db2.gz DTSZAYQGBSMCKJ-YJBOKZPZSA-N 1 0 319.449 3.900 20 5 DHBDRO CC(C)c1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000338957799 1016777729 /nfs/dbraw/zinc/77/77/29/1016777729.db2.gz LOIYKHYCOHLJAQ-UHFFFAOYSA-N 1 0 319.430 3.849 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCCO2 ZINC000089512530 1032151977 /nfs/dbraw/zinc/15/19/77/1032151977.db2.gz FHRWOFRYTMCEIO-INIZCTEOSA-N 1 0 312.369 3.907 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000362128385 1032242496 /nfs/dbraw/zinc/24/24/96/1032242496.db2.gz FRFOAZFBCZQKAG-MRXNPFEDSA-N 1 0 303.337 3.760 20 5 DHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000475232732 1017094815 /nfs/dbraw/zinc/09/48/15/1017094815.db2.gz KFEAATJVRCMETM-NSHDSACASA-N 1 0 302.378 3.530 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](C3CC3)C1)CCC2 ZINC000248752654 1017306294 /nfs/dbraw/zinc/30/62/94/1017306294.db2.gz CEWBIVREJRSYPX-ZTFGCOKTSA-N 1 0 316.401 3.519 20 5 DHBDRO CC[C@@H]([NH2+]CCc1cnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000773077290 1032549679 /nfs/dbraw/zinc/54/96/79/1032549679.db2.gz QEIFNHYRQSEJCE-OAHLLOKOSA-N 1 0 305.403 3.643 20 5 DHBDRO CCOc1cccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000773120110 1032564928 /nfs/dbraw/zinc/56/49/28/1032564928.db2.gz QUJWXTAIXSCOPM-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000773140313 1032574133 /nfs/dbraw/zinc/57/41/33/1032574133.db2.gz VKBAZWGYRUBIGY-CJYSPXJISA-N 1 0 324.471 3.625 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424339159 1012004503 /nfs/dbraw/zinc/00/45/03/1012004503.db2.gz BISFGTISKATQOB-XJFOESAGSA-N 1 0 306.431 3.854 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC2)ccc1Oc1ccc(F)cc1 ZINC000120125160 1012047113 /nfs/dbraw/zinc/04/71/13/1012047113.db2.gz GHLMIUGLVZKUMI-UHFFFAOYSA-N 1 0 302.305 3.778 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000122742100 1032619524 /nfs/dbraw/zinc/61/95/24/1032619524.db2.gz BTNQBMYTHMZVGJ-LBPRGKRZSA-N 1 0 319.792 3.845 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000537659815 1032620182 /nfs/dbraw/zinc/62/01/82/1032620182.db2.gz NGIOIRYPDBIVDG-MRXNPFEDSA-N 1 0 308.422 3.557 20 5 DHBDRO Cc1cnc([C@@H](C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000515072393 1012556640 /nfs/dbraw/zinc/55/66/40/1012556640.db2.gz JKFROHQMMMQAKG-IINYFYTJSA-N 1 0 317.414 3.740 20 5 DHBDRO CCOc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000515549304 1012659728 /nfs/dbraw/zinc/65/97/28/1012659728.db2.gz IZMFCQPQBVSKRJ-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425958101 1013012416 /nfs/dbraw/zinc/01/24/16/1013012416.db2.gz LNBRVAPLUJMKBE-ZFWWWQNUSA-N 1 0 324.371 3.941 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000517616986 1013027223 /nfs/dbraw/zinc/02/72/23/1013027223.db2.gz QUZCSIOKZCZBBI-ACJLOTCBSA-N 1 0 312.369 3.812 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000517616990 1013027887 /nfs/dbraw/zinc/02/78/87/1013027887.db2.gz QUZCSIOKZCZBBI-FZKQIMNGSA-N 1 0 312.369 3.812 20 5 DHBDRO Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000475287030 1017117637 /nfs/dbraw/zinc/11/76/37/1017117637.db2.gz MMVJRIWNPFXZTI-PWSUYJOCSA-N 1 0 302.296 3.676 20 5 DHBDRO COC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC(C)CC1 ZINC000475424337 1017212516 /nfs/dbraw/zinc/21/25/16/1017212516.db2.gz NPFPCCNAIZDYHS-ALCCZGGFSA-N 1 0 318.417 3.793 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2)C1 ZINC000075623278 1017335429 /nfs/dbraw/zinc/33/54/29/1017335429.db2.gz MXWFIWQDVAAMDX-KSSFIOAISA-N 1 0 312.369 3.729 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CS1 ZINC000840959326 1017559581 /nfs/dbraw/zinc/55/95/81/1017559581.db2.gz SDZIHUNHBWPZPE-XCBNKYQSSA-N 1 0 321.229 3.885 20 5 DHBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444609445 1017589280 /nfs/dbraw/zinc/58/92/80/1017589280.db2.gz NCQPGHHXESBWSV-RYUDHWBXSA-N 1 0 316.405 3.870 20 5 DHBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCC[C@H]1C ZINC000444673658 1017624521 /nfs/dbraw/zinc/62/45/21/1017624521.db2.gz IITMKKQMGSHJPO-MLGOLLRUSA-N 1 0 316.405 3.872 20 5 DHBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc([N+](=O)[O-])ccc1Cl ZINC001167624690 1017701675 /nfs/dbraw/zinc/70/16/75/1017701675.db2.gz LAWOVVMUXQEEFW-UHFFFAOYSA-N 1 0 311.813 3.733 20 5 DHBDRO Cc1ccc(C[N@H+](CCOc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000051968104 1017789001 /nfs/dbraw/zinc/78/90/01/1017789001.db2.gz NXEAKEZLQGJYSR-UHFFFAOYSA-N 1 0 316.357 3.540 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000445873480 1018000216 /nfs/dbraw/zinc/00/02/16/1018000216.db2.gz BOJBQYNWSYCCIX-LBPRGKRZSA-N 1 0 320.311 3.670 20 5 DHBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC2(CCCC2)O1 ZINC000558720546 1018076291 /nfs/dbraw/zinc/07/62/91/1018076291.db2.gz WFTVKDJDQFLEKQ-HNNXBMFYSA-N 1 0 304.390 3.518 20 5 DHBDRO CCSc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000187794966 1018086227 /nfs/dbraw/zinc/08/62/27/1018086227.db2.gz JBCAACDHZWWJJX-GFCCVEGCSA-N 1 0 317.414 3.953 20 5 DHBDRO C[C@@H](CCC1CCCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446846402 1018267887 /nfs/dbraw/zinc/26/78/87/1018267887.db2.gz ZHNHIVFFMKBOES-LBPRGKRZSA-N 1 0 316.405 3.920 20 5 DHBDRO CC(C)CC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764503664 1018300867 /nfs/dbraw/zinc/30/08/67/1018300867.db2.gz NYLPIYSJFGMIMN-OAHLLOKOSA-N 1 0 319.449 3.978 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000764627516 1018336351 /nfs/dbraw/zinc/33/63/51/1018336351.db2.gz IWRIAFIGYDMVJX-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(O)CCCCCC1)CCC2 ZINC000447535002 1018411529 /nfs/dbraw/zinc/41/15/29/1018411529.db2.gz BVIMEPXNMOZYAW-QGZVFWFLSA-N 1 0 318.417 3.647 20 5 DHBDRO CCCC[C@H](COC)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447546023 1018417932 /nfs/dbraw/zinc/41/79/32/1018417932.db2.gz ZRFWWQABPGOTNX-RHSMWYFYSA-N 1 0 306.406 3.767 20 5 DHBDRO CCC(CC)[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000764898278 1018421385 /nfs/dbraw/zinc/42/13/85/1018421385.db2.gz BUFMPMAQYQIHFE-UHFFFAOYSA-N 1 0 316.405 3.863 20 5 DHBDRO CCCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447579427 1018437331 /nfs/dbraw/zinc/43/73/31/1018437331.db2.gz KRSNFBYMKGIPOB-CABCVRRESA-N 1 0 320.437 3.835 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCS1)CCC2 ZINC000447599003 1018437595 /nfs/dbraw/zinc/43/75/95/1018437595.db2.gz JJUFILNURYGPNE-HOCLYGCPSA-N 1 0 306.431 3.848 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(C)nc1 ZINC000526047047 1018446122 /nfs/dbraw/zinc/44/61/22/1018446122.db2.gz FIEGVFXXOZWKMW-GXDHUFHOSA-N 1 0 311.385 3.534 20 5 DHBDRO CC(C)(C)C(=[NH2+])Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001162664709 1018534201 /nfs/dbraw/zinc/53/42/01/1018534201.db2.gz MWFMFXTYDSSHBQ-UHFFFAOYSA-N 1 0 305.256 3.929 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000246711072 1018662122 /nfs/dbraw/zinc/66/21/22/1018662122.db2.gz CNUNJHMFXCADLR-UHOFOFEASA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000765440203 1018788427 /nfs/dbraw/zinc/78/84/27/1018788427.db2.gz RYLAQSDJRZMZHQ-UONOGXRCSA-N 1 0 300.358 3.713 20 5 DHBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]2CCCC[C@@H]12 ZINC000611802416 1018893945 /nfs/dbraw/zinc/89/39/45/1018893945.db2.gz NUHXKDYYIGJCKE-ZLDLUXBVSA-N 1 0 315.373 3.747 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC000921819335 1018901511 /nfs/dbraw/zinc/90/15/11/1018901511.db2.gz XUZUDWBQTVLMLV-CYBMUJFWSA-N 1 0 314.389 3.676 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278613676 1018926867 /nfs/dbraw/zinc/92/68/67/1018926867.db2.gz FQAZXPQOBRJMFV-MNOVXSKESA-N 1 0 302.296 3.930 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000480249995 1018943200 /nfs/dbraw/zinc/94/32/00/1018943200.db2.gz FSHDTLFBKNJUOE-JTQLQIEISA-N 1 0 320.311 3.814 20 5 DHBDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000282316063 1019023813 /nfs/dbraw/zinc/02/38/13/1019023813.db2.gz UDCSBZBJDOIZLU-YCPHGPKFSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@H](O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278678056 1019028623 /nfs/dbraw/zinc/02/86/23/1019028623.db2.gz OTQPXSYRGWJCIS-LBPRGKRZSA-N 1 0 320.414 3.574 20 5 DHBDRO CC[C@@H](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001168693468 1019068588 /nfs/dbraw/zinc/06/85/88/1019068588.db2.gz MNEJLQUTXYUCQK-KGLIPLIRSA-N 1 0 323.437 3.772 20 5 DHBDRO COC1(C[C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000429402498 1019168329 /nfs/dbraw/zinc/16/83/29/1019168329.db2.gz IOEFBRXHBMQYFR-OAHLLOKOSA-N 1 0 320.433 3.855 20 5 DHBDRO CCCC[N@H+](C)CCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000489056249 1019288934 /nfs/dbraw/zinc/28/89/34/1019288934.db2.gz VWYSBDWRCUYQAS-UHFFFAOYSA-N 1 0 307.438 3.540 20 5 DHBDRO Cc1nc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000611337337 1019447928 /nfs/dbraw/zinc/44/79/28/1019447928.db2.gz USIXRDCSRVFKHL-SNVBAGLBSA-N 1 0 305.403 3.561 20 5 DHBDRO C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000611367621 1019456839 /nfs/dbraw/zinc/45/68/39/1019456839.db2.gz NORBPJRBNBWOON-CYBMUJFWSA-N 1 0 322.405 3.757 20 5 DHBDRO C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132234489 1019481487 /nfs/dbraw/zinc/48/14/87/1019481487.db2.gz AZVBCTCUYXKMII-RDTXWAMCSA-N 1 0 317.433 3.732 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)o1 ZINC000611465957 1019492462 /nfs/dbraw/zinc/49/24/62/1019492462.db2.gz BAHRWDUURADIIL-NSHDSACASA-N 1 0 308.765 3.952 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000611475906 1019498152 /nfs/dbraw/zinc/49/81/52/1019498152.db2.gz QCYJIQAWUZMBEE-CMPLNLGQSA-N 1 0 314.332 3.832 20 5 DHBDRO CSCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000611518115 1019511431 /nfs/dbraw/zinc/51/14/31/1019511431.db2.gz CMRSJRBJZZBUJP-MRXNPFEDSA-N 1 0 302.399 3.637 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2cccnc2CC1)c1ccc([N+](=O)[O-])cc1 ZINC000421854012 1019563829 /nfs/dbraw/zinc/56/38/29/1019563829.db2.gz JZMYSEKGIAOXCA-XJKSGUPXSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2cccnc2CC1)c1ccc([N+](=O)[O-])cc1 ZINC000421854011 1019564321 /nfs/dbraw/zinc/56/43/21/1019564321.db2.gz JZMYSEKGIAOXCA-BBRMVZONSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000079724003 1019766329 /nfs/dbraw/zinc/76/63/29/1019766329.db2.gz LBVJMYWINLFQPS-VXGBXAGGSA-N 1 0 315.329 3.915 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000765768408 1019813392 /nfs/dbraw/zinc/81/33/92/1019813392.db2.gz OIVLJFWLIFUIRC-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000316791935 1019938202 /nfs/dbraw/zinc/93/82/02/1019938202.db2.gz NWIVUCTWTJBQJP-MWLCHTKSSA-N 1 0 317.311 3.508 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000611983894 1020032782 /nfs/dbraw/zinc/03/27/82/1020032782.db2.gz UJDNRNUTTQJMRC-IVZVJUQRSA-N 1 0 323.396 3.568 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](OC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000154093948 1020073086 /nfs/dbraw/zinc/07/30/86/1020073086.db2.gz AYTUKJSABMPBON-BLLLJJGKSA-N 1 0 324.421 3.705 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000555225948 1020150298 /nfs/dbraw/zinc/15/02/98/1020150298.db2.gz HFAOHNJZFZNLAH-CCKFTAQKSA-N 1 0 310.397 3.919 20 5 DHBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093419235 1020152051 /nfs/dbraw/zinc/15/20/51/1020152051.db2.gz DIVWEFWPDRSIDR-MRXNPFEDSA-N 1 0 320.433 3.967 20 5 DHBDRO O=[N+]([O-])c1cc(CN2CCC[C@H](Nc3ccccc3)C2)cs1 ZINC000154947882 1020169044 /nfs/dbraw/zinc/16/90/44/1020169044.db2.gz VJWRXDCLANUJHW-HNNXBMFYSA-N 1 0 317.414 3.733 20 5 DHBDRO COc1ccc([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000155214464 1020200119 /nfs/dbraw/zinc/20/01/19/1020200119.db2.gz KDOVMHKWTCLOQE-INIZCTEOSA-N 1 0 312.369 3.593 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)cc1[N+](=O)[O-] ZINC000124923975 1020240864 /nfs/dbraw/zinc/24/08/64/1020240864.db2.gz RLNQTLQZFOFZMX-JJAZEVLHSA-N 1 0 304.390 3.511 20 5 DHBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000355156785 1020264160 /nfs/dbraw/zinc/26/41/60/1020264160.db2.gz DPLFDNMEIDNVHM-DLBZAZTESA-N 1 0 318.417 3.683 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c(Cl)c1 ZINC000280420807 1020289678 /nfs/dbraw/zinc/28/96/78/1020289678.db2.gz BMWGQCPABJSHAX-SECBINFHSA-N 1 0 304.724 3.773 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000922837289 1020295711 /nfs/dbraw/zinc/29/57/11/1020295711.db2.gz SAHBSOHGDHHOKC-JOYOIKCWSA-N 1 0 300.811 3.622 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCSC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000922841865 1020296595 /nfs/dbraw/zinc/29/65/95/1020296595.db2.gz DLVLFUQPGAJADV-CQSZACIVSA-N 1 0 306.431 3.811 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2Cc3ccccc32)c(Cl)c1 ZINC000090992611 1020312731 /nfs/dbraw/zinc/31/27/31/1020312731.db2.gz GTDJRGUMZRGWGW-CYBMUJFWSA-N 1 0 302.761 3.678 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000281038456 1020323512 /nfs/dbraw/zinc/32/35/12/1020323512.db2.gz PWEAWKPTHJLBPH-KURKYZTESA-N 1 0 318.417 3.500 20 5 DHBDRO CCCC[NH+]1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122961145 1020329850 /nfs/dbraw/zinc/32/98/50/1020329850.db2.gz UDPBKIJFYJWUKB-CQSZACIVSA-N 1 0 305.422 3.510 20 5 DHBDRO CCc1cnc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)o1 ZINC000281405179 1020338030 /nfs/dbraw/zinc/33/80/30/1020338030.db2.gz HLMLIBIYOOKQHU-UHFFFAOYSA-N 1 0 312.329 3.614 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@]1(OC)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000903309777 1020367336 /nfs/dbraw/zinc/36/73/36/1020367336.db2.gz HQNHJWWMKZMTLC-HOTGVXAUSA-N 1 0 324.446 3.548 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@]1(OC)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000903309776 1020368222 /nfs/dbraw/zinc/36/82/22/1020368222.db2.gz HQNHJWWMKZMTLC-CVEARBPZSA-N 1 0 324.446 3.548 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000612185765 1020390228 /nfs/dbraw/zinc/39/02/28/1020390228.db2.gz IPHSBYUAOZIEPK-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO Cn1cccc1[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179704941 1020433904 /nfs/dbraw/zinc/43/39/04/1020433904.db2.gz NVVMAWOJTJQMLM-SBLNNXNXSA-N 1 0 311.385 3.784 20 5 DHBDRO C[N@H+](CCCCC(F)(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC000282566062 1020459632 /nfs/dbraw/zinc/45/96/32/1020459632.db2.gz ZAGDUXBMLCGXLC-UHFFFAOYSA-N 1 0 304.312 3.802 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C(C)C)cc1[N+](=O)[O-] ZINC000556124191 1020480355 /nfs/dbraw/zinc/48/03/55/1020480355.db2.gz YKEQQYMVVFWZIQ-NVXWUHKLSA-N 1 0 319.449 3.817 20 5 DHBDRO CC(C)[N@H+](CCc1cncs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000411185246 1020508056 /nfs/dbraw/zinc/50/80/56/1020508056.db2.gz HPVKLARYKVFEJH-UHFFFAOYSA-N 1 0 305.403 3.504 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccnc(Cl)c1 ZINC000766194715 1020515635 /nfs/dbraw/zinc/51/56/35/1020515635.db2.gz VYEZWHJNSGFYMK-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2C[C@@H]2C(F)F)c2ccccc2)c1 ZINC000554097365 1020525159 /nfs/dbraw/zinc/52/51/59/1020525159.db2.gz YNOHPKMHRJQLOP-HRCADAONSA-N 1 0 318.323 3.927 20 5 DHBDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000554721572 1020563826 /nfs/dbraw/zinc/56/38/26/1020563826.db2.gz CYNVRMYUKODVMH-YVOPTCOOSA-N 1 0 310.353 3.720 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nc(C)cs1 ZINC000615722588 1020579941 /nfs/dbraw/zinc/57/99/41/1020579941.db2.gz PWZWLAJCBQCKCL-XYOKQWHBSA-N 1 0 317.414 3.595 20 5 DHBDRO CCOc1cc(NC[C@@H](C(C)C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000537792152 1032916019 /nfs/dbraw/zinc/91/60/19/1032916019.db2.gz KMIKQRBTECCYMB-INIZCTEOSA-N 1 0 321.421 3.526 20 5 DHBDRO Cc1cc(NC[C@H]2CCCS2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228486117 1020615472 /nfs/dbraw/zinc/61/54/72/1020615472.db2.gz NVIMMVFRJBNXHQ-GFCCVEGCSA-N 1 0 303.387 3.759 20 5 DHBDRO Cc1cccc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000355206359 1020618069 /nfs/dbraw/zinc/61/80/69/1020618069.db2.gz VYDWXSHDHFFELO-UHFFFAOYSA-N 1 0 313.401 3.754 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000612580694 1020628496 /nfs/dbraw/zinc/62/84/96/1020628496.db2.gz WJWPXYLCBJGCJF-INIZCTEOSA-N 1 0 306.406 3.588 20 5 DHBDRO Cc1ccc(OCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000734835297 1020668212 /nfs/dbraw/zinc/66/82/12/1020668212.db2.gz SIDGLAGHTGZCEE-UHFFFAOYSA-N 1 0 320.776 3.725 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000766212605 1020688551 /nfs/dbraw/zinc/68/85/51/1020688551.db2.gz RZWRRIVXDVREQP-LBPRGKRZSA-N 1 0 318.348 3.503 20 5 DHBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001217988496 1020735042 /nfs/dbraw/zinc/73/50/42/1020735042.db2.gz CYZQKCLPJQYZGK-PRHODGIISA-N 1 0 319.188 3.669 20 5 DHBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000579983377 1020793452 /nfs/dbraw/zinc/79/34/52/1020793452.db2.gz REHJNKMMUUWRNY-UHFFFAOYSA-N 1 0 302.349 3.799 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000579960099 1020794086 /nfs/dbraw/zinc/79/40/86/1020794086.db2.gz TYPGNGDWTOHCLQ-PHIMTYICSA-N 1 0 314.307 3.846 20 5 DHBDRO CCc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000581039145 1020865444 /nfs/dbraw/zinc/86/54/44/1020865444.db2.gz ODRMCWBKQHGQNM-UHFFFAOYSA-N 1 0 304.415 3.893 20 5 DHBDRO O=[N+]([O-])c1ccccc1CN1CC[C@](F)(c2ccccc2)C1 ZINC000580964723 1020868178 /nfs/dbraw/zinc/86/81/78/1020868178.db2.gz MSGOQMNIUJJYSF-QGZVFWFLSA-N 1 0 300.333 3.666 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOc1ccc(F)cc1 ZINC000537918710 1032939825 /nfs/dbraw/zinc/93/98/25/1032939825.db2.gz GHMZZIWQWSUIQC-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO CCC[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766271989 1021003095 /nfs/dbraw/zinc/00/30/95/1021003095.db2.gz WVAJPJKTTNAMCH-YOEHRIQHSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnc2)c1 ZINC000742391299 1021110871 /nfs/dbraw/zinc/11/08/71/1021110871.db2.gz GVPKIWFELPTOKJ-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188781016 1021173054 /nfs/dbraw/zinc/17/30/54/1021173054.db2.gz JXTCHMQOFAONSC-QWHCGFSZSA-N 1 0 315.373 3.719 20 5 DHBDRO Cc1c(C[NH2+]CCCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000917137748 1021194268 /nfs/dbraw/zinc/19/42/68/1021194268.db2.gz ZUDAFKBXYDCAIN-UHFFFAOYSA-N 1 0 318.348 3.601 20 5 DHBDRO CS[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000225514816 1021274847 /nfs/dbraw/zinc/27/48/47/1021274847.db2.gz GILSAIQMPOMBBC-RYUDHWBXSA-N 1 0 300.811 3.622 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000926796448 1021280795 /nfs/dbraw/zinc/28/07/95/1021280795.db2.gz NZYBKGUHIZRCBR-NSHDSACASA-N 1 0 304.321 3.599 20 5 DHBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000618304596 1021349261 /nfs/dbraw/zinc/34/92/61/1021349261.db2.gz YZBJLZSDIWYLOB-AWEZNQCLSA-N 1 0 316.405 3.920 20 5 DHBDRO CCOC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000189349305 1021360835 /nfs/dbraw/zinc/36/08/35/1021360835.db2.gz JERRGWGFLLLMPT-GDBMZVCRSA-N 1 0 308.422 3.567 20 5 DHBDRO COc1cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])ccc1C ZINC000892698055 1021489974 /nfs/dbraw/zinc/48/99/74/1021489974.db2.gz YJABHLKDSRQEQL-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850376320 1021496375 /nfs/dbraw/zinc/49/63/75/1021496375.db2.gz XLQHTVYCHMRRCG-LZZACLKFSA-N 1 0 324.380 3.766 20 5 DHBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000744440704 1021546040 /nfs/dbraw/zinc/54/60/40/1021546040.db2.gz GTMRCDPALZELNZ-XJKSGUPXSA-N 1 0 314.389 3.536 20 5 DHBDRO CCC(C)(C)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850501836 1021564766 /nfs/dbraw/zinc/56/47/66/1021564766.db2.gz GNRUXEXINYVMLG-AWEZNQCLSA-N 1 0 319.449 3.978 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000565532054 1021648903 /nfs/dbraw/zinc/64/89/03/1021648903.db2.gz NVJJANZSQUHADW-OAGGEKHMSA-N 1 0 317.433 3.745 20 5 DHBDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000541117832 1021663043 /nfs/dbraw/zinc/66/30/43/1021663043.db2.gz KGCYKZYAHSVMFI-CFVMTHIKSA-N 1 0 304.390 3.614 20 5 DHBDRO CN(C)c1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000892926136 1021684622 /nfs/dbraw/zinc/68/46/22/1021684622.db2.gz HLBPFZFCLFBSDF-UHFFFAOYSA-N 1 0 319.792 3.604 20 5 DHBDRO CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000556413582 1021709448 /nfs/dbraw/zinc/70/94/48/1021709448.db2.gz OSDCEPFNCLSJHV-UHFFFAOYSA-N 1 0 320.776 3.937 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000517459645 1021766973 /nfs/dbraw/zinc/76/69/73/1021766973.db2.gz VMBJQQDSYGAJPC-HNNXBMFYSA-N 1 0 319.449 3.676 20 5 DHBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC(C)(C)C1 ZINC000619515269 1021782124 /nfs/dbraw/zinc/78/21/24/1021782124.db2.gz GHPYOSCPBXKPRJ-GFCCVEGCSA-N 1 0 303.362 3.747 20 5 DHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000919721977 1021866556 /nfs/dbraw/zinc/86/65/56/1021866556.db2.gz ILGQYEGLICSOQI-NFAWXSAZSA-N 1 0 321.396 3.576 20 5 DHBDRO CCOc1cc(C[NH2+][C@H](C)c2ccsc2)ccc1[N+](=O)[O-] ZINC000619782634 1021895857 /nfs/dbraw/zinc/89/58/57/1021895857.db2.gz HGSDMEYHBUAJFT-LLVKDONJSA-N 1 0 306.387 3.906 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000556858970 1021906067 /nfs/dbraw/zinc/90/60/67/1021906067.db2.gz QBBWCSFVUDIZSI-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000130689005 1021938010 /nfs/dbraw/zinc/93/80/10/1021938010.db2.gz WSCJJCXNMFEWSL-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO CC(C)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000776585836 1022105310 /nfs/dbraw/zinc/10/53/10/1022105310.db2.gz AJHPAZTYHVNLRW-MRXNPFEDSA-N 1 0 308.422 3.632 20 5 DHBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852468966 1022125218 /nfs/dbraw/zinc/12/52/18/1022125218.db2.gz WXSQWYBKJALVRT-MEDUHNTESA-N 1 0 300.333 3.552 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1F ZINC000852594143 1022145025 /nfs/dbraw/zinc/14/50/25/1022145025.db2.gz AASVSGBRFSWOGE-WMLDXEAASA-N 1 0 322.380 3.515 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC001168978403 1022197070 /nfs/dbraw/zinc/19/70/70/1022197070.db2.gz RVVTXKREZITGBY-RLCCDNCMSA-N 1 0 308.809 3.826 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccsc3)cc2)C1 ZINC001168984987 1022199736 /nfs/dbraw/zinc/19/97/36/1022199736.db2.gz RMHHKFWGSSHRQI-PBHICJAKSA-N 1 0 316.426 3.950 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1C(F)(F)F ZINC001168985884 1022199879 /nfs/dbraw/zinc/19/98/79/1022199879.db2.gz VJDVHEPKSZBASX-SDDRHHMPSA-N 1 0 316.323 3.801 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC001168963149 1022202129 /nfs/dbraw/zinc/20/21/29/1022202129.db2.gz NVCWEAZXBYRWBA-NOZJJQNGSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(c3ccccc3)CCCCC2)C1 ZINC001168966110 1022203161 /nfs/dbraw/zinc/20/31/61/1022203161.db2.gz GKGYFMQVMHKVKH-WMZOPIPTSA-N 1 0 316.445 3.924 20 5 DHBDRO CC(C)(Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168966818 1022203752 /nfs/dbraw/zinc/20/37/52/1022203752.db2.gz LHMPDJMALWACIG-UKRRQHHQSA-N 1 0 310.825 3.696 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)C1 ZINC001168997074 1022210679 /nfs/dbraw/zinc/21/06/79/1022210679.db2.gz XGGXSRLDMZMOTL-ZFWWWQNUSA-N 1 0 322.836 3.698 20 5 DHBDRO CC(C)Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169006880 1022212625 /nfs/dbraw/zinc/21/26/25/1022212625.db2.gz ZPJOAECLCLSNDL-LESCRADOSA-N 1 0 304.434 3.981 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2c3ccccc3-c3ccccc32)C1 ZINC001169004966 1022213028 /nfs/dbraw/zinc/21/30/28/1022213028.db2.gz SVSZSYXNWSDKFK-GJZGRUSLSA-N 1 0 322.408 3.834 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CCC2)C1 ZINC001169004933 1022213233 /nfs/dbraw/zinc/21/32/33/1022213233.db2.gz SHHDCXDCCVCVEN-DOTOQJQBSA-N 1 0 320.408 3.574 20 5 DHBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036174 1022222053 /nfs/dbraw/zinc/22/20/53/1022222053.db2.gz FPELEXPEHUVXPF-TZMCWYRMSA-N 1 0 316.323 3.583 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)C1 ZINC001169057503 1022232526 /nfs/dbraw/zinc/23/25/26/1022232526.db2.gz WDDAPLUWUDDOQH-XFBWCDHKSA-N 1 0 310.344 3.547 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1CNC1(c2ccc(F)cc2)CC1 ZINC000609357648 1022272578 /nfs/dbraw/zinc/27/25/78/1022272578.db2.gz MGZGYVBJOBIUEE-UHFFFAOYSA-N 1 0 304.296 3.652 20 5 DHBDRO CC(C)(C)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001169306998 1022355464 /nfs/dbraw/zinc/35/54/64/1022355464.db2.gz MASBWYMGSNFWHB-UHFFFAOYSA-N 1 0 306.406 3.732 20 5 DHBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000538389655 1033048010 /nfs/dbraw/zinc/04/80/10/1033048010.db2.gz GNLRJHSISHUVNA-HNNXBMFYSA-N 1 0 321.421 3.646 20 5 DHBDRO CC[C@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000610009159 1022402070 /nfs/dbraw/zinc/40/20/70/1022402070.db2.gz XZLMJSOBZKWJFK-HNNXBMFYSA-N 1 0 317.364 3.887 20 5 DHBDRO Cc1ccc(C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000610090220 1022418529 /nfs/dbraw/zinc/41/85/29/1022418529.db2.gz WGXGEEMKQGCYQF-SCLBCKFNSA-N 1 0 320.433 3.570 20 5 DHBDRO CS[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000776722154 1022431304 /nfs/dbraw/zinc/43/13/04/1022431304.db2.gz DKVFWODDNDCLNY-XHSDSOJGSA-N 1 0 320.458 3.790 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000090809760 1022464504 /nfs/dbraw/zinc/46/45/04/1022464504.db2.gz ZKPSSWJNOMFFLF-CJNGLKHVSA-N 1 0 308.422 3.597 20 5 DHBDRO CCCCCC[N@H+](C)CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000854509844 1022485044 /nfs/dbraw/zinc/48/50/44/1022485044.db2.gz BLJFTETWBUAQIH-UHFFFAOYSA-N 1 0 321.421 3.662 20 5 DHBDRO O=[N+]([O-])c1ccc(NCC23CC[NH+](CC2)CC3)c2ccccc21 ZINC001169802432 1022542789 /nfs/dbraw/zinc/54/27/89/1022542789.db2.gz OIKPRXKTFMAULY-UHFFFAOYSA-N 1 0 311.385 3.646 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CO)CCCCC1 ZINC000615724207 1022547291 /nfs/dbraw/zinc/54/72/91/1022547291.db2.gz SAKXTAYATIPJGT-XNTDXEJSSA-N 1 0 318.417 3.531 20 5 DHBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000538445157 1033067527 /nfs/dbraw/zinc/06/75/27/1033067527.db2.gz GXTZSNCKGNKSJG-PXAZEXFGSA-N 1 0 318.348 3.600 20 5 DHBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000893296276 1022617102 /nfs/dbraw/zinc/61/71/02/1022617102.db2.gz SEVJVHZUHQWZTC-DZGCQCFKSA-N 1 0 312.797 3.541 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cccs1 ZINC000417302661 1022668697 /nfs/dbraw/zinc/66/86/97/1022668697.db2.gz CQCQCJAUHDNFHA-KWCYVHTRSA-N 1 0 302.399 3.938 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(F)cn1)CCCC2 ZINC000417318378 1022673799 /nfs/dbraw/zinc/67/37/99/1022673799.db2.gz YQIYRUNCALZLFD-KRWDZBQOSA-N 1 0 315.348 3.686 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417307812 1022675713 /nfs/dbraw/zinc/67/57/13/1022675713.db2.gz HJJGQDXDBBFXEZ-TUKIKUTGSA-N 1 0 302.399 3.938 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CC(F)(F)C1)CCCC2 ZINC000417339321 1022693243 /nfs/dbraw/zinc/69/32/43/1022693243.db2.gz FLEVWVMLFUGHIE-OAHLLOKOSA-N 1 0 310.344 3.997 20 5 DHBDRO O=C(C[NH2+]Cc1c2ccccc2cc2ccccc21)NCC1CC1 ZINC000180395253 1022718232 /nfs/dbraw/zinc/71/82/32/1022718232.db2.gz KKGNDZMVIRDSLL-UHFFFAOYSA-N 1 0 318.420 3.609 20 5 DHBDRO CCC1(CC)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776846555 1022733337 /nfs/dbraw/zinc/73/33/37/1022733337.db2.gz NWLMIFGWIOZXDX-MRXNPFEDSA-N 1 0 306.406 3.530 20 5 DHBDRO CO[C@]1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCOC1 ZINC000763479291 1022734249 /nfs/dbraw/zinc/73/42/49/1022734249.db2.gz GSKVVCSGWJWPQG-NRFANRHFSA-N 1 0 321.420 3.888 20 5 DHBDRO COCCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000123048925 1022911307 /nfs/dbraw/zinc/91/13/07/1022911307.db2.gz AHJXBFSWUNMULD-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO CCOc1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167752046 1023030310 /nfs/dbraw/zinc/03/03/10/1023030310.db2.gz CAPZYCXKSCKDSR-CQSZACIVSA-N 1 0 321.421 3.670 20 5 DHBDRO CSC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000312743959 1023144018 /nfs/dbraw/zinc/14/40/18/1023144018.db2.gz VWURQOKBCYGFFX-LLVKDONJSA-N 1 0 314.838 3.823 20 5 DHBDRO C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccccc1[N+](=O)[O-] ZINC000925690078 1023161069 /nfs/dbraw/zinc/16/10/69/1023161069.db2.gz DUDIAKUDPRWFJK-POZPTJLLSA-N 1 0 304.390 3.593 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000123971147 1023193084 /nfs/dbraw/zinc/19/30/84/1023193084.db2.gz VVNRCDUNIPOCPY-UHFFFAOYSA-N 1 0 322.311 3.794 20 5 DHBDRO CCOc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000236950534 1023219396 /nfs/dbraw/zinc/21/93/96/1023219396.db2.gz PDEQQJJOVNFLHG-UHFFFAOYSA-N 1 0 300.358 3.592 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC(c2ncco2)CC1 ZINC000931443048 1023411833 /nfs/dbraw/zinc/41/18/33/1023411833.db2.gz MCIBFUQUGGTUFD-UHFFFAOYSA-N 1 0 321.764 3.616 20 5 DHBDRO COC1CCC([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876738253 1033130694 /nfs/dbraw/zinc/13/06/94/1033130694.db2.gz ZFWQBBXSMYUSAF-UHFFFAOYSA-N 1 0 306.406 3.601 20 5 DHBDRO CCCCCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000771224744 1023414146 /nfs/dbraw/zinc/41/41/46/1023414146.db2.gz PSXKJIANCBZGIY-UHFFFAOYSA-N 1 0 324.406 3.718 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C(C)(C)C1CCOCC1 ZINC000785607861 1023593901 /nfs/dbraw/zinc/59/39/01/1023593901.db2.gz UGFJKFPTCWVVOZ-KAMYIIQDSA-N 1 0 318.417 3.793 20 5 DHBDRO Cc1nc(F)ccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000787088885 1023756452 /nfs/dbraw/zinc/75/64/52/1023756452.db2.gz VYIPRMPBPRMKMB-UHFFFAOYSA-N 1 0 317.364 3.848 20 5 DHBDRO COCC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000746654463 1023766805 /nfs/dbraw/zinc/76/68/05/1023766805.db2.gz INQCVHPMZIPHAH-UHFFFAOYSA-N 1 0 312.797 3.639 20 5 DHBDRO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499018 1023894863 /nfs/dbraw/zinc/89/48/63/1023894863.db2.gz RIBIYQIGLJCRIY-KGLIPLIRSA-N 1 0 313.401 3.849 20 5 DHBDRO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497165 1023895252 /nfs/dbraw/zinc/89/52/52/1023895252.db2.gz FMGTTYSZJUUSSR-LBPRGKRZSA-N 1 0 324.384 3.552 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788498561 1023895584 /nfs/dbraw/zinc/89/55/84/1023895584.db2.gz NNUBXHGFDQQBON-JTQLQIEISA-N 1 0 305.765 3.681 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499518 1023896422 /nfs/dbraw/zinc/89/64/22/1023896422.db2.gz VNNZOXPYNZJBJM-SJCJKPOMSA-N 1 0 311.385 3.905 20 5 DHBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCC=CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788599779 1023911062 /nfs/dbraw/zinc/91/10/62/1023911062.db2.gz APFLFAVCFPMNLY-CJNGLKHVSA-N 1 0 302.374 3.600 20 5 DHBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCC=CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788599778 1023911725 /nfs/dbraw/zinc/91/17/25/1023911725.db2.gz APFLFAVCFPMNLY-BBRMVZONSA-N 1 0 302.374 3.600 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788748747 1023934184 /nfs/dbraw/zinc/93/41/84/1023934184.db2.gz AFUBVUXQOFFCGE-QMTHXVAHSA-N 1 0 317.414 3.967 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788822018 1023940504 /nfs/dbraw/zinc/94/05/04/1023940504.db2.gz HXGGHRZTSKQJTL-GHMZBOCLSA-N 1 0 313.348 3.653 20 5 DHBDRO CCc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000789364472 1024061627 /nfs/dbraw/zinc/06/16/27/1024061627.db2.gz WNZCOMWELORKRH-FZKQIMNGSA-N 1 0 314.385 3.541 20 5 DHBDRO Cc1cc([C@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c(C)s1 ZINC000876913586 1033182075 /nfs/dbraw/zinc/18/20/75/1033182075.db2.gz JELTZBPNALOOHP-PKSQDBQZSA-N 1 0 320.418 3.524 20 5 DHBDRO CC[C@@H]([NH2+]CC1(CCO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268995378 1024214350 /nfs/dbraw/zinc/21/43/50/1024214350.db2.gz SQWYOQJGKGVDKF-MRXNPFEDSA-N 1 0 306.406 3.578 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCC(F)(F)F ZINC000269008117 1024220856 /nfs/dbraw/zinc/22/08/56/1024220856.db2.gz WQHJILGXTUCZRF-LLVKDONJSA-N 1 0 304.312 3.848 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CN1CCC[C@@H](C)C1 ZINC000531697433 1024272554 /nfs/dbraw/zinc/27/25/54/1024272554.db2.gz RALLRBHMZQZYLA-BMFZPTHFSA-N 1 0 319.449 3.674 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000893594004 1024290340 /nfs/dbraw/zinc/29/03/40/1024290340.db2.gz VZFMIODYOXOWGS-AWEZNQCLSA-N 1 0 312.797 3.687 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CO)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000531738047 1024290793 /nfs/dbraw/zinc/29/07/93/1024290793.db2.gz GJMIZFGBIWKCQJ-ROUUACIJSA-N 1 0 314.385 3.678 20 5 DHBDRO CCSc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000883237284 1024310846 /nfs/dbraw/zinc/31/08/46/1024310846.db2.gz XGDXREAJJANGTQ-UHFFFAOYSA-N 1 0 302.399 3.997 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2csc(C)c2)cc1[N+](=O)[O-] ZINC000453092044 1024325050 /nfs/dbraw/zinc/32/50/50/1024325050.db2.gz VLDRFRVKKRFXIE-LLVKDONJSA-N 1 0 306.387 3.824 20 5 DHBDRO C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000883257375 1024326326 /nfs/dbraw/zinc/32/63/26/1024326326.db2.gz ZSOOOJYAVZKHGU-VIFPVBQESA-N 1 0 302.296 3.820 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)CC(F)F ZINC000883260015 1024332563 /nfs/dbraw/zinc/33/25/63/1024332563.db2.gz HJHWSWIVORQPLY-SNVBAGLBSA-N 1 0 318.339 3.936 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000105461638 1024384166 /nfs/dbraw/zinc/38/41/66/1024384166.db2.gz OWIRGOMPDZPUQU-SNVBAGLBSA-N 1 0 306.749 3.805 20 5 DHBDRO CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000105503841 1024396570 /nfs/dbraw/zinc/39/65/70/1024396570.db2.gz YBYXZDFOIAICIL-CYBMUJFWSA-N 1 0 305.403 3.909 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883356148 1024400096 /nfs/dbraw/zinc/40/00/96/1024400096.db2.gz HBFCDCLIDCYILX-DZGCQCFKSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC000883356666 1024402169 /nfs/dbraw/zinc/40/21/69/1024402169.db2.gz SDAQEAICQHQJIQ-KGLIPLIRSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000453228677 1024414526 /nfs/dbraw/zinc/41/45/26/1024414526.db2.gz BBMCQRHJULFUDZ-XJKSGUPXSA-N 1 0 312.369 3.639 20 5 DHBDRO Cc1cccnc1CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453306487 1024454085 /nfs/dbraw/zinc/45/40/85/1024454085.db2.gz JSKVWPSOVYYKBK-OAHLLOKOSA-N 1 0 313.401 3.890 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC1(F)F)CCC2 ZINC000453322728 1024462985 /nfs/dbraw/zinc/46/29/85/1024462985.db2.gz SXHXVEKJADVVFN-SWLSCSKDSA-N 1 0 310.344 3.997 20 5 DHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])s2)C1 ZINC000604409265 1024477766 /nfs/dbraw/zinc/47/77/66/1024477766.db2.gz LNHQNTFKDCLEIR-STQMWFEESA-N 1 0 311.451 3.826 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000271267618 1024479679 /nfs/dbraw/zinc/47/96/79/1024479679.db2.gz ACBMJSPWYMZCJO-SNVBAGLBSA-N 1 0 321.764 3.503 20 5 DHBDRO CC(C)CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877038434 1033215467 /nfs/dbraw/zinc/21/54/67/1033215467.db2.gz PMEDWQJQOIWTIV-XUJLQICISA-N 1 0 322.453 3.935 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000271520722 1024529087 /nfs/dbraw/zinc/52/90/87/1024529087.db2.gz PKWWHTSOUCNIOB-HIFRSBDPSA-N 1 0 304.390 3.656 20 5 DHBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000271550963 1024539713 /nfs/dbraw/zinc/53/97/13/1024539713.db2.gz QOKQKZZTPQCRAW-DZGCQCFKSA-N 1 0 312.797 3.541 20 5 DHBDRO C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000271640799 1024555397 /nfs/dbraw/zinc/55/53/97/1024555397.db2.gz DSXDFTNJNXWSFN-ZDUSSCGKSA-N 1 0 322.405 3.757 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)cccc1[N+](=O)[O-] ZINC000585765571 1024602001 /nfs/dbraw/zinc/60/20/01/1024602001.db2.gz SVMDXIIWAOFWJL-ZDUSSCGKSA-N 1 0 324.384 3.673 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000585767911 1024604656 /nfs/dbraw/zinc/60/46/56/1024604656.db2.gz FCFGQEXIBVHJRI-SPQRHKFCSA-N 1 0 316.401 3.501 20 5 DHBDRO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000108395592 1024639774 /nfs/dbraw/zinc/63/97/74/1024639774.db2.gz KIWBZVKDVHLPJV-WMLDXEAASA-N 1 0 306.406 3.937 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](Cc1ccccn1)C1CC1 ZINC000349237591 1024691965 /nfs/dbraw/zinc/69/19/65/1024691965.db2.gz FVOCEVGBYRSCEJ-ALCCZGGFSA-N 1 0 309.369 3.668 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001170292064 1024725156 /nfs/dbraw/zinc/72/51/56/1024725156.db2.gz HMKNSUJPBBZUQT-CQSZACIVSA-N 1 0 314.385 3.633 20 5 DHBDRO CC[C@@H]1CC[C@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001170280673 1024733607 /nfs/dbraw/zinc/73/36/07/1024733607.db2.gz NNCFUVSOQYRLMH-LSDHHAIUSA-N 1 0 306.406 3.874 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC001170290961 1024739180 /nfs/dbraw/zinc/73/91/80/1024739180.db2.gz FIALGTICDQCBMO-CQSZACIVSA-N 1 0 314.385 3.633 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC001170335661 1024746709 /nfs/dbraw/zinc/74/67/09/1024746709.db2.gz QAEBBMQLNIATKF-CYBMUJFWSA-N 1 0 304.390 3.553 20 5 DHBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170328998 1024747266 /nfs/dbraw/zinc/74/72/66/1024747266.db2.gz MVSZZFNQBVBXFZ-AWEZNQCLSA-N 1 0 314.385 3.666 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2CC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC001170352593 1024749636 /nfs/dbraw/zinc/74/96/36/1024749636.db2.gz OGDZXLKWWYRMMW-AWEZNQCLSA-N 1 0 318.417 3.801 20 5 DHBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000349959761 1024772234 /nfs/dbraw/zinc/77/22/34/1024772234.db2.gz DMTSALHYHWJQHS-SJORKVTESA-N 1 0 318.417 3.683 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000134791222 1033243238 /nfs/dbraw/zinc/24/32/38/1033243238.db2.gz HQUNHWIFQGLCRD-CSFVBSKPSA-N 1 0 316.401 3.511 20 5 DHBDRO C[C@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728901072 1024932511 /nfs/dbraw/zinc/93/25/11/1024932511.db2.gz WJMXATHFQDPVNE-AWEZNQCLSA-N 1 0 314.389 3.538 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000119033339 1024940807 /nfs/dbraw/zinc/94/08/07/1024940807.db2.gz RJIZWWPKHOFSIW-ZDUSSCGKSA-N 1 0 306.406 3.935 20 5 DHBDRO Cc1ccc(C(C)(C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000353164265 1024973379 /nfs/dbraw/zinc/97/33/79/1024973379.db2.gz FBDROYQIIUETBK-VURMDHGXSA-N 1 0 311.385 3.836 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000365705303 1025070292 /nfs/dbraw/zinc/07/02/92/1025070292.db2.gz PMIGIWMMBSICOL-PBHICJAKSA-N 1 0 304.390 3.691 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877165617 1033260256 /nfs/dbraw/zinc/26/02/56/1033260256.db2.gz NYQAKGLNTHPUBE-VIFPVBQESA-N 1 0 323.607 3.574 20 5 DHBDRO CCC1(CC)CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000353607770 1025149379 /nfs/dbraw/zinc/14/93/79/1025149379.db2.gz AZAGDEVSPBFSJQ-UHFFFAOYSA-N 1 0 322.405 3.624 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353626741 1025160790 /nfs/dbraw/zinc/16/07/90/1025160790.db2.gz USIUWIHTGLBKJS-CYBMUJFWSA-N 1 0 324.384 3.582 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3cc[nH]c3n2)cccc1[N+](=O)[O-] ZINC000353626450 1025161948 /nfs/dbraw/zinc/16/19/48/1025161948.db2.gz HWYZJSXYGQTWBE-GFCCVEGCSA-N 1 0 310.357 3.630 20 5 DHBDRO COc1cc(C[N@@H+]2CCCC(C)(C)CC2)c([N+](=O)[O-])cc1OC ZINC000353663586 1025188954 /nfs/dbraw/zinc/18/89/54/1025188954.db2.gz DCBUQCYRBUDRSF-UHFFFAOYSA-N 1 0 322.405 3.624 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cs1 ZINC000859929513 1033270847 /nfs/dbraw/zinc/27/08/47/1033270847.db2.gz ACAIBUDIZKTGAA-HRCADAONSA-N 1 0 314.410 3.892 20 5 DHBDRO Cc1ccc(OCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000539075864 1033269337 /nfs/dbraw/zinc/26/93/37/1033269337.db2.gz NHQYYKKJLXUTSO-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c(Cl)c1 ZINC001207645462 1025261712 /nfs/dbraw/zinc/26/17/12/1025261712.db2.gz NKLHMBDHNNXAPF-CQSZACIVSA-N 1 0 324.808 3.830 20 5 DHBDRO COc1cc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000353884234 1025279606 /nfs/dbraw/zinc/27/96/06/1025279606.db2.gz WIBUCUFZIHWPIH-QWHCGFSZSA-N 1 0 322.405 3.623 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000353986765 1025312742 /nfs/dbraw/zinc/31/27/42/1025312742.db2.gz LBTYUOIEHDAJCB-MRXNPFEDSA-N 1 0 303.362 3.565 20 5 DHBDRO C[C@@H](C[NH2+]Cc1cccc(Cl)c1N)c1ccccc1[N+](=O)[O-] ZINC000897459130 1025351945 /nfs/dbraw/zinc/35/19/45/1025351945.db2.gz HVSHMOYHNMOTBX-NSHDSACASA-N 1 0 319.792 3.724 20 5 DHBDRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cnc1Cl ZINC000897464247 1025361322 /nfs/dbraw/zinc/36/13/22/1025361322.db2.gz FWKKBTMAKLQOBM-LBPRGKRZSA-N 1 0 319.792 3.845 20 5 DHBDRO C[C@@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897459881 1025361676 /nfs/dbraw/zinc/36/16/76/1025361676.db2.gz PCWPCXPRCXXUGO-LSDHHAIUSA-N 1 0 318.417 3.780 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000897465631 1025368028 /nfs/dbraw/zinc/36/80/28/1025368028.db2.gz YQPJIAGTGTXEPQ-KBPBESRZSA-N 1 0 314.385 3.625 20 5 DHBDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885956734 1025419599 /nfs/dbraw/zinc/41/95/99/1025419599.db2.gz XOBIJKAODFDINE-AWEZNQCLSA-N 1 0 311.385 3.791 20 5 DHBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000584849779 1025421061 /nfs/dbraw/zinc/42/10/61/1025421061.db2.gz LDEMZRSHLFSSCQ-VBQJREDUSA-N 1 0 318.417 3.765 20 5 DHBDRO CO[C@@H]1CCC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000885999976 1025431378 /nfs/dbraw/zinc/43/13/78/1025431378.db2.gz RIZSRHYGMBYKCS-SJLPKXTDSA-N 1 0 320.433 3.855 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000886038530 1025448889 /nfs/dbraw/zinc/44/88/89/1025448889.db2.gz XFZOORROGLDFJQ-UHFFFAOYSA-N 1 0 315.348 3.509 20 5 DHBDRO Cc1cccc(C2([NH2+]Cc3cccnc3[N+](=O)[O-])CCCC2)c1 ZINC000886061840 1025460156 /nfs/dbraw/zinc/46/01/56/1025460156.db2.gz AHJSMQWIOQZTIR-UHFFFAOYSA-N 1 0 311.385 3.857 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342819254 1025511686 /nfs/dbraw/zinc/51/16/86/1025511686.db2.gz AMMLVCYWIWLXGP-FUHWJXTLSA-N 1 0 318.417 3.862 20 5 DHBDRO C[C@H]([N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1(C)CC1 ZINC000355086913 1025600376 /nfs/dbraw/zinc/60/03/76/1025600376.db2.gz LYHLSFSZPMDZLS-JTQLQIEISA-N 1 0 314.332 3.817 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H](SC)C1 ZINC000355220482 1025647360 /nfs/dbraw/zinc/64/73/60/1025647360.db2.gz LHXDBQWUMRKBST-HNNXBMFYSA-N 1 0 324.446 3.711 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886609126 1025735092 /nfs/dbraw/zinc/73/50/92/1025735092.db2.gz MPGCMCPZPWOFJE-JSGCOSHPSA-N 1 0 314.307 3.759 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222694 1025955115 /nfs/dbraw/zinc/95/51/15/1025955115.db2.gz ZQACSUXEEIIVGY-CQSZACIVSA-N 1 0 304.390 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CSC(C)(C)C ZINC000178729442 1025968799 /nfs/dbraw/zinc/96/87/99/1025968799.db2.gz DOCNIKOPVWPHGH-LLVKDONJSA-N 1 0 312.435 3.613 20 5 DHBDRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000089512748 1026052947 /nfs/dbraw/zinc/05/29/47/1026052947.db2.gz FPTUCFWWIZRCPS-LBPRGKRZSA-N 1 0 317.414 3.781 20 5 DHBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000089668037 1026060859 /nfs/dbraw/zinc/06/08/59/1026060859.db2.gz RTAOXVRCMQJLPI-YOEHRIQHSA-N 1 0 314.385 3.942 20 5 DHBDRO COC1(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000429419454 1026090724 /nfs/dbraw/zinc/09/07/24/1026090724.db2.gz AYPPGOHOZJAJSK-KGLIPLIRSA-N 1 0 306.406 3.902 20 5 DHBDRO Cc1nn(CN2CCC(C)(CC(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000808232214 1026238038 /nfs/dbraw/zinc/23/80/38/1026238038.db2.gz VVYNERHFLFIPPE-UHFFFAOYSA-N 1 0 308.426 3.514 20 5 DHBDRO CC1(C)CC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000808422240 1026284646 /nfs/dbraw/zinc/28/46/46/1026284646.db2.gz ZQZVDUONHQKZMI-GFCCVEGCSA-N 1 0 313.195 3.636 20 5 DHBDRO CC[C@@]1([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC000809986604 1026656058 /nfs/dbraw/zinc/65/60/58/1026656058.db2.gz KMCABXPWHMLNBP-CYBMUJFWSA-N 1 0 319.188 3.560 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420956471 1026893444 /nfs/dbraw/zinc/89/34/44/1026893444.db2.gz YJVLTCPPOPOOMK-LLVKDONJSA-N 1 0 302.296 3.759 20 5 DHBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000421015603 1026917542 /nfs/dbraw/zinc/91/75/42/1026917542.db2.gz TZSKRPHDRWOYKM-UHFFFAOYSA-N 1 0 310.369 3.512 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000367051503 1027038477 /nfs/dbraw/zinc/03/84/77/1027038477.db2.gz ZXOPGDFLBAJLCV-HNNXBMFYSA-N 1 0 324.808 3.687 20 5 DHBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000421863975 1027072048 /nfs/dbraw/zinc/07/20/48/1027072048.db2.gz XFNGQHOBTUGXOX-DXCKQFNASA-N 1 0 318.417 3.864 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ncco2)CC1 ZINC000931451966 1027128567 /nfs/dbraw/zinc/12/85/67/1027128567.db2.gz XRPHIRRHKBXJQD-LBPRGKRZSA-N 1 0 301.346 3.523 20 5 DHBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000156700862 1027146277 /nfs/dbraw/zinc/14/62/77/1027146277.db2.gz KQZKZDSBBYXDBP-JKSUJKDBSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000573220033 1027270631 /nfs/dbraw/zinc/27/06/31/1027270631.db2.gz VQEFZXZLRCGBHF-IINYFYTJSA-N 1 0 317.414 3.740 20 5 DHBDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573998549 1027349622 /nfs/dbraw/zinc/34/96/22/1027349622.db2.gz YTBWRZDNUFKSGW-GOEBONIOSA-N 1 0 301.390 3.643 20 5 DHBDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000575762318 1027498956 /nfs/dbraw/zinc/49/89/56/1027498956.db2.gz PRIAVSKJQBVZBN-XCRHUMRWSA-N 1 0 318.417 3.623 20 5 DHBDRO CC[C@@H]([NH3+])CN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423471793 1027558403 /nfs/dbraw/zinc/55/84/03/1027558403.db2.gz PZTZJJJKADQWCA-VXGBXAGGSA-N 1 0 319.430 3.711 20 5 DHBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000747841064 1027560972 /nfs/dbraw/zinc/56/09/72/1027560972.db2.gz NLEKUROOEOLXFP-LBPRGKRZSA-N 1 0 300.333 3.853 20 5 DHBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000813630198 1027679190 /nfs/dbraw/zinc/67/91/90/1027679190.db2.gz JDGSDYRJDXVYAN-GFCCVEGCSA-N 1 0 323.824 3.559 20 5 DHBDRO CCOC(=O)CC(C)(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296805463 1027739498 /nfs/dbraw/zinc/73/94/98/1027739498.db2.gz UNDSSWVZARTUNV-ZDUSSCGKSA-N 1 0 322.405 3.615 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1C ZINC000933490566 1027745800 /nfs/dbraw/zinc/74/58/00/1027745800.db2.gz ZNYFFFPAJRMQRQ-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000601155874 1028005591 /nfs/dbraw/zinc/00/55/91/1028005591.db2.gz NLOHJXYPKDYLAL-KRWDZBQOSA-N 1 0 318.417 3.732 20 5 DHBDRO Cc1ncc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000601299988 1028067353 /nfs/dbraw/zinc/06/73/53/1028067353.db2.gz RWZOOXHPYNCXSV-RNCFNFMXSA-N 1 0 303.387 3.698 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934691235 1028075897 /nfs/dbraw/zinc/07/58/97/1028075897.db2.gz GUZDEABMOMDCHS-MRXNPFEDSA-N 1 0 317.776 3.884 20 5 DHBDRO C[N@H+](CCc1cccc(F)c1F)Cc1ccccc1[N+](=O)[O-] ZINC000563648604 1028147675 /nfs/dbraw/zinc/14/76/75/1028147675.db2.gz FQOIBGNTQZRSBE-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccnc2ccccc12 ZINC000578470179 1028159594 /nfs/dbraw/zinc/15/95/94/1028159594.db2.gz SFFXZSMBHXMPAZ-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc3cccnc3o2)C2CC2)cc1 ZINC000449009104 1028255228 /nfs/dbraw/zinc/25/52/28/1028255228.db2.gz GVTLAUFTFCJEPZ-UHFFFAOYSA-N 1 0 323.352 3.901 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc(F)c1F ZINC000449144157 1028399487 /nfs/dbraw/zinc/39/94/87/1028399487.db2.gz YRAUYAVYKLKHRJ-LBPRGKRZSA-N 1 0 320.339 3.636 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CSc2ccccc21 ZINC000449159305 1028418773 /nfs/dbraw/zinc/41/87/73/1028418773.db2.gz ZEBSKKBDWFJCKO-DOMZBBRYSA-N 1 0 314.410 3.962 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000449216690 1028460653 /nfs/dbraw/zinc/46/06/53/1028460653.db2.gz UOKJQNSCRFOFDQ-IAQYHMDHSA-N 1 0 317.389 3.872 20 5 DHBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1CC1 ZINC000564742975 1028495540 /nfs/dbraw/zinc/49/55/40/1028495540.db2.gz ZCROVMACPXGXOR-UHFFFAOYSA-N 1 0 302.296 3.846 20 5 DHBDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000009902480 1028527784 /nfs/dbraw/zinc/52/77/84/1028527784.db2.gz YEZXUCPFOIDZIB-KRWDZBQOSA-N 1 0 312.369 3.941 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccsc1 ZINC000075676960 1028528627 /nfs/dbraw/zinc/52/86/27/1028528627.db2.gz XVKJEJQHMHUWIE-AWEZNQCLSA-N 1 0 320.418 3.546 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562067 1028543656 /nfs/dbraw/zinc/54/36/56/1028543656.db2.gz WGPJWQUZDCMNNG-COPLHBTASA-N 1 0 315.373 3.744 20 5 DHBDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591483 1028558559 /nfs/dbraw/zinc/55/85/59/1028558559.db2.gz ITCJTXOAGWVLKV-PXAZEXFGSA-N 1 0 311.385 3.824 20 5 DHBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000815592566 1028559593 /nfs/dbraw/zinc/55/95/93/1028559593.db2.gz MAGRRDAOEQSMDG-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO CS[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000815615420 1028570451 /nfs/dbraw/zinc/57/04/51/1028570451.db2.gz PJHPXSFSZMMSHA-HZMBPMFUSA-N 1 0 311.451 3.605 20 5 DHBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616593 1028572197 /nfs/dbraw/zinc/57/21/97/1028572197.db2.gz SDKKAYFIJDBDBM-WPRPVWTQSA-N 1 0 305.300 3.559 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CSc3ccccc32)c(F)c1 ZINC000449363189 1028573478 /nfs/dbraw/zinc/57/34/78/1028573478.db2.gz LOZWZFKFRPQOJR-LBPRGKRZSA-N 1 0 318.373 3.713 20 5 DHBDRO CCO[C@@H](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000565315860 1028574994 /nfs/dbraw/zinc/57/49/94/1028574994.db2.gz ZVCHKLGJYFMVCG-WBVHZDCISA-N 1 0 306.406 3.623 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000449363218 1028593448 /nfs/dbraw/zinc/59/34/48/1028593448.db2.gz LVCDLFFLVOUTRU-AWEZNQCLSA-N 1 0 314.410 3.882 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](C)O ZINC000449546771 1028760733 /nfs/dbraw/zinc/76/07/33/1028760733.db2.gz WIPCJSCNURLFBC-RISCZKNCSA-N 1 0 320.414 3.572 20 5 DHBDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000449625017 1028859053 /nfs/dbraw/zinc/85/90/53/1028859053.db2.gz AMKPZRMZFFEQAI-SJKOYZFVSA-N 1 0 306.406 3.621 20 5 DHBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567626351 1028930659 /nfs/dbraw/zinc/93/06/59/1028930659.db2.gz KPAQMBORBJYEHP-OWQGQXMQSA-N 1 0 318.417 3.623 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC12CCOCC2 ZINC000567752328 1028948107 /nfs/dbraw/zinc/94/81/07/1028948107.db2.gz GMNFWYYDLZMUIP-RDJZCZTQSA-N 1 0 316.401 3.521 20 5 DHBDRO COC[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000449774921 1028987467 /nfs/dbraw/zinc/98/74/67/1028987467.db2.gz LMQAVODKMAROPG-UVQBRAAOSA-N 1 0 318.417 3.747 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccn(C(C)C)n1 ZINC000568460720 1029073518 /nfs/dbraw/zinc/07/35/18/1029073518.db2.gz RZEJAJUMLAOPAK-ZROIWOOFSA-N 1 0 314.389 3.565 20 5 DHBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC(OC(C)(C)C)C1 ZINC000817287141 1029113629 /nfs/dbraw/zinc/11/36/29/1029113629.db2.gz KRWHALIBWBKRIT-UHFFFAOYSA-N 1 0 310.369 3.512 20 5 DHBDRO CC(C)([NH2+]CC1Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000568707403 1029115638 /nfs/dbraw/zinc/11/56/38/1029115638.db2.gz AEDXKNUVVLAETQ-UHFFFAOYSA-N 1 0 310.397 3.835 20 5 DHBDRO CCC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000411807802 1029216911 /nfs/dbraw/zinc/21/69/11/1029216911.db2.gz RUGZPSZJKRJEOF-OAHLLOKOSA-N 1 0 321.421 3.728 20 5 DHBDRO C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)C ZINC000569941399 1029288475 /nfs/dbraw/zinc/28/84/75/1029288475.db2.gz OLYOXWWGQTXGPW-NVXWUHKLSA-N 1 0 319.449 3.538 20 5 DHBDRO CC(=O)c1cccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000450503272 1029518469 /nfs/dbraw/zinc/51/84/69/1029518469.db2.gz UTNXHHYQCKGWEI-UHFFFAOYSA-N 1 0 324.380 3.962 20 5 DHBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000820633204 1029749728 /nfs/dbraw/zinc/74/97/28/1029749728.db2.gz ABJRXGVBARNZGC-JTQLQIEISA-N 1 0 315.776 3.531 20 5 DHBDRO CO[C@H](CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000530330872 1029820066 /nfs/dbraw/zinc/82/00/66/1029820066.db2.gz ICWIAAWUJWURFE-GXFFZTMASA-N 1 0 320.311 3.521 20 5 DHBDRO CCOC1CC(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000530439412 1029850349 /nfs/dbraw/zinc/85/03/49/1029850349.db2.gz ADDYKFFTJAIAGC-VQCLRJIVSA-N 1 0 306.406 3.759 20 5 DHBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000163340813 1029932611 /nfs/dbraw/zinc/93/26/11/1029932611.db2.gz WKWGDIYRQFJIAH-DGCLKSJQSA-N 1 0 303.362 3.794 20 5 DHBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000290421414 1030044827 /nfs/dbraw/zinc/04/48/27/1030044827.db2.gz KRPGBEQJNXKRHL-INIZCTEOSA-N 1 0 314.389 3.580 20 5 DHBDRO CCC1([NH+]2CCCC2)CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866023880 1030111494 /nfs/dbraw/zinc/11/14/94/1030111494.db2.gz OXTDVACIYBIKGS-UHFFFAOYSA-N 1 0 321.396 3.579 20 5 DHBDRO COc1ccc(C[NH2+]C2CCC(CSC)CC2)cc1[N+](=O)[O-] ZINC000296480192 1030169722 /nfs/dbraw/zinc/16/97/22/1030169722.db2.gz QBBPDQDDZPFRCU-UHFFFAOYSA-N 1 0 324.446 3.615 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)C1(Br)CC1)c1cccc([N+](=O)[O-])c1 ZINC000924799507 1030193649 /nfs/dbraw/zinc/19/36/49/1030193649.db2.gz SZNSHFFHYNCYBA-ZJUUUORDSA-N 1 0 313.195 3.561 20 5 DHBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866288650 1030206787 /nfs/dbraw/zinc/20/67/87/1030206787.db2.gz JPVYJZVCGTVESG-STQMWFEESA-N 1 0 317.364 3.719 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCc2cccnc2)cc1[N+](=O)[O-] ZINC000866303699 1030213653 /nfs/dbraw/zinc/21/36/53/1030213653.db2.gz WHYNTCYHCJBDJO-CABCVRRESA-N 1 0 313.401 3.970 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)CC(F)(F)F ZINC000866339400 1030240587 /nfs/dbraw/zinc/24/05/87/1030240587.db2.gz BFZRDQNDEGMTTQ-RKDXNWHRSA-N 1 0 308.275 3.595 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@]1(C)CC1(F)F ZINC000866390801 1030272443 /nfs/dbraw/zinc/27/24/43/1030272443.db2.gz TTYAXMJGZFZLII-YGRLFVJLSA-N 1 0 316.323 3.690 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCSC1)CCC2 ZINC000866402781 1030280616 /nfs/dbraw/zinc/28/06/16/1030280616.db2.gz LWNTYFSFDRSKIF-MLGOLLRUSA-N 1 0 306.431 3.705 20 5 DHBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866455207 1030304477 /nfs/dbraw/zinc/30/44/77/1030304477.db2.gz KBWQUJYSGBXNBP-NXEZZACHSA-N 1 0 323.393 3.781 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]Cc2ccnc(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000866474829 1030312589 /nfs/dbraw/zinc/31/25/89/1030312589.db2.gz OJACRENLKBQHQG-OAHLLOKOSA-N 1 0 315.348 3.641 20 5 DHBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCCc2c(Cl)ccnc21 ZINC000925311238 1030341364 /nfs/dbraw/zinc/34/13/64/1030341364.db2.gz RKISOMINBPQLLK-CQSZACIVSA-N 1 0 317.776 3.810 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000866528095 1030345113 /nfs/dbraw/zinc/34/51/13/1030345113.db2.gz BIOUKKFBTBVCBS-HUUCEWRRSA-N 1 0 318.417 3.761 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000866540103 1030360846 /nfs/dbraw/zinc/36/08/46/1030360846.db2.gz VYFKTEAFZOBBQQ-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866581958 1030386727 /nfs/dbraw/zinc/38/67/27/1030386727.db2.gz FSVRMSWERXEPSO-BFHYXJOUSA-N 1 0 306.431 3.649 20 5 DHBDRO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000866621734 1030409147 /nfs/dbraw/zinc/40/91/47/1030409147.db2.gz JECJQFGBPAGIFD-BBRMVZONSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000866622613 1030411407 /nfs/dbraw/zinc/41/14/07/1030411407.db2.gz NOSGOKLTYOZIBZ-XJKSGUPXSA-N 1 0 304.390 3.737 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccc(C)n1 ZINC000347379512 1030484298 /nfs/dbraw/zinc/48/42/98/1030484298.db2.gz VNKZABSHEWXVER-GXDHUFHOSA-N 1 0 311.385 3.834 20 5 DHBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000291575529 1030555842 /nfs/dbraw/zinc/55/58/42/1030555842.db2.gz OGLMWLZOPCUETN-OAHLLOKOSA-N 1 0 306.406 3.683 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000558509500 1030612590 /nfs/dbraw/zinc/61/25/90/1030612590.db2.gz VFCMWWZSFHJWGS-GJZGRUSLSA-N 1 0 307.438 3.674 20 5 DHBDRO CC(C)(C)CC[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000359035566 1030742806 /nfs/dbraw/zinc/74/28/06/1030742806.db2.gz LQVMVJXLIVZXKY-WMLDXEAASA-N 1 0 320.433 3.749 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC000926492975 1030764633 /nfs/dbraw/zinc/76/46/33/1030764633.db2.gz KCWXFYLDQCSZFX-QWHCGFSZSA-N 1 0 314.389 3.928 20 5 DHBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000825280217 1030764864 /nfs/dbraw/zinc/76/48/64/1030764864.db2.gz YWHOTTFCBVXQDE-SJORKVTESA-N 1 0 318.420 3.737 20 5 DHBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000359085734 1030770217 /nfs/dbraw/zinc/77/02/17/1030770217.db2.gz UBJSXXJLPOPMDE-OAHLLOKOSA-N 1 0 320.437 3.673 20 5 DHBDRO COc1ccc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000359292243 1030892179 /nfs/dbraw/zinc/89/21/79/1030892179.db2.gz DPBFHBJDNSHZFQ-GUYCJALGSA-N 1 0 304.390 3.616 20 5 DHBDRO Cc1nc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)sc1C ZINC000127744408 1030909805 /nfs/dbraw/zinc/90/98/05/1030909805.db2.gz KKRYKJBGCFCVKG-LBPRGKRZSA-N 1 0 319.430 3.870 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)n1 ZINC000926891221 1030973481 /nfs/dbraw/zinc/97/34/81/1030973481.db2.gz HLHVBEYILRMPEU-IUODEOHRSA-N 1 0 315.373 3.800 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000269981554 1030988828 /nfs/dbraw/zinc/98/88/28/1030988828.db2.gz RBXQBSIVHFHBKC-LBRJOISOSA-N 1 0 316.401 3.593 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000927065294 1031062559 /nfs/dbraw/zinc/06/25/59/1031062559.db2.gz GYAKIJHCNWZIJL-CXAGYDPISA-N 1 0 316.405 3.685 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000927067552 1031064798 /nfs/dbraw/zinc/06/47/98/1031064798.db2.gz NVEVTJUOWTZOTC-OWQGQXMQSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc2c1OCC2 ZINC000927092181 1031081121 /nfs/dbraw/zinc/08/11/21/1031081121.db2.gz ZIWXJBDOOYFCEO-CYBMUJFWSA-N 1 0 312.369 3.689 20 5 DHBDRO CC[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000359927192 1031199634 /nfs/dbraw/zinc/19/96/34/1031199634.db2.gz UPWRNUVFJUFGDL-WMLDXEAASA-N 1 0 305.422 3.510 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000192502875 1031208521 /nfs/dbraw/zinc/20/85/21/1031208521.db2.gz PONOLXMEDFDSLL-SFHVURJKSA-N 1 0 312.369 3.844 20 5 DHBDRO CC(F)(F)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000292844017 1031209577 /nfs/dbraw/zinc/20/95/77/1031209577.db2.gz BHXMYHCYPKBCNX-UHFFFAOYSA-N 1 0 306.312 3.996 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H](CC)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000360054399 1031259202 /nfs/dbraw/zinc/25/92/02/1031259202.db2.gz MRUBUMADUMXVDI-AEFFLSMTSA-N 1 0 319.449 3.900 20 5 DHBDRO COc1cc(C[NH2+]CC[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000360052921 1031259636 /nfs/dbraw/zinc/25/96/36/1031259636.db2.gz KWLKVQMQTRCOOA-CHWSQXEVSA-N 1 0 322.405 3.615 20 5 DHBDRO C[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000293172792 1031359372 /nfs/dbraw/zinc/35/93/72/1031359372.db2.gz STGTZNQVEGINKX-BXUZGUMPSA-N 1 0 320.780 3.532 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872023443 1031407360 /nfs/dbraw/zinc/40/73/60/1031407360.db2.gz HKCZWCBYOZFUFE-WBMJQRKESA-N 1 0 318.348 3.772 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872023441 1031408652 /nfs/dbraw/zinc/40/86/52/1031408652.db2.gz HKCZWCBYOZFUFE-MLGOLLRUSA-N 1 0 318.348 3.772 20 5 DHBDRO CCCC[NH+]1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872027316 1031412432 /nfs/dbraw/zinc/41/24/32/1031412432.db2.gz CUQYZKULVBRADK-ZDUSSCGKSA-N 1 0 323.412 3.649 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000872039879 1031423220 /nfs/dbraw/zinc/42/32/20/1031423220.db2.gz IUAJOQIIABEPJL-MNOVXSKESA-N 1 0 312.460 3.863 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccn(C)c1 ZINC000872040733 1031425185 /nfs/dbraw/zinc/42/51/85/1031425185.db2.gz MUDYRLGYFFMAKG-LLVKDONJSA-N 1 0 305.403 3.506 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000872041739 1031425294 /nfs/dbraw/zinc/42/52/94/1031425294.db2.gz KPYHMDNSBJAPBI-NHYWBVRUSA-N 1 0 310.419 3.536 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000872041737 1031425358 /nfs/dbraw/zinc/42/53/58/1031425358.db2.gz KPYHMDNSBJAPBI-ABAIWWIYSA-N 1 0 310.419 3.536 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000872041630 1031425409 /nfs/dbraw/zinc/42/54/09/1031425409.db2.gz VJTPJJVWKOMFPQ-FZMZJTMJSA-N 1 0 310.369 3.590 20 5 DHBDRO Cc1noc(C)c1CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042406 1031427981 /nfs/dbraw/zinc/42/79/81/1031427981.db2.gz OJLLJTJMOGYUMV-LLVKDONJSA-N 1 0 321.352 3.622 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](CCCc2ccncc2)C2CC2)c1 ZINC000360456290 1031436406 /nfs/dbraw/zinc/43/64/06/1031436406.db2.gz RCLRMEDXXXWPED-UHFFFAOYSA-N 1 0 311.385 3.587 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCOC1 ZINC000872049024 1031436514 /nfs/dbraw/zinc/43/65/14/1031436514.db2.gz OFZIFEYCXKVJQT-NHYWBVRUSA-N 1 0 312.797 3.543 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000872053796 1031443805 /nfs/dbraw/zinc/44/38/05/1031443805.db2.gz NDVSCBAYUDLSNA-GRYCIOLGSA-N 1 0 310.419 3.535 20 5 DHBDRO COC1CCC(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872062155 1031455667 /nfs/dbraw/zinc/45/56/67/1031455667.db2.gz JYIQWDUJTAUDKM-IYXRBSQSSA-N 1 0 324.396 3.980 20 5 DHBDRO CCOC1CC(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872065041 1031460315 /nfs/dbraw/zinc/46/03/15/1031460315.db2.gz RFZSLTBEMIJOKZ-HIFPTAJRSA-N 1 0 310.369 3.590 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000872066800 1031462931 /nfs/dbraw/zinc/46/29/31/1031462931.db2.gz QRKKCEBEHMBDLJ-HOCLYGCPSA-N 1 0 306.406 3.587 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000872077317 1031473506 /nfs/dbraw/zinc/47/35/06/1031473506.db2.gz FUIOLLGDKGEGRH-GMXVVIOVSA-N 1 0 310.419 3.535 20 5 DHBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CCO1 ZINC000872080796 1031476403 /nfs/dbraw/zinc/47/64/03/1031476403.db2.gz SHNYOVUZQCCVKZ-OUCADQQQSA-N 1 0 324.446 3.925 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000872083811 1031478872 /nfs/dbraw/zinc/47/88/72/1031478872.db2.gz ALCNRQDXXCHZQV-NEPJUHHUSA-N 1 0 322.430 3.679 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000872090264 1031487516 /nfs/dbraw/zinc/48/75/16/1031487516.db2.gz OVOPVHVZQFWTAW-WBIUFABUSA-N 1 0 322.430 3.535 20 5 DHBDRO COC(C)(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872092232 1031491354 /nfs/dbraw/zinc/49/13/54/1031491354.db2.gz LXULHMSYJJQAKO-NSHDSACASA-N 1 0 312.435 3.782 20 5 DHBDRO COc1ccc([C@@H](C)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000537206324 1031530275 /nfs/dbraw/zinc/53/02/75/1031530275.db2.gz IHTRMIMXFFGXRD-AWEZNQCLSA-N 1 0 314.385 3.839 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000872260301 1031564194 /nfs/dbraw/zinc/56/41/94/1031564194.db2.gz UAFTXLXQVYBGPA-QGZVFWFLSA-N 1 0 318.417 3.827 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943279 1031711994 /nfs/dbraw/zinc/71/19/94/1031711994.db2.gz YTNCNTCLVMQOSO-MGPLVRAMSA-N 1 0 315.348 3.654 20 5 DHBDRO CC(C)c1ccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000361080793 1031715590 /nfs/dbraw/zinc/71/55/90/1031715590.db2.gz MCJNBPSTCIVIFD-OAHLLOKOSA-N 1 0 306.406 3.718 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897748740 1031811254 /nfs/dbraw/zinc/81/12/54/1031811254.db2.gz CMTKWKRFVRSQSP-JQYOZEIOSA-N 1 0 304.415 3.624 20 5 DHBDRO C[C@]1(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000846037898 1031826764 /nfs/dbraw/zinc/82/67/64/1031826764.db2.gz PRLGLWLDVPKTCC-SNPDBEFISA-N 1 0 312.772 3.902 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897779733 1031830398 /nfs/dbraw/zinc/83/03/98/1031830398.db2.gz SCHPFBJZYHMPSK-AEIPITKESA-N 1 0 316.401 3.545 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCS1 ZINC000897792853 1031836462 /nfs/dbraw/zinc/83/64/62/1031836462.db2.gz GXKZNPNNMQIIES-SMDDNHRTSA-N 1 0 306.431 3.846 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCS1 ZINC000897792851 1031836606 /nfs/dbraw/zinc/83/66/06/1031836606.db2.gz GXKZNPNNMQIIES-FZMZJTMJSA-N 1 0 306.431 3.846 20 5 DHBDRO C[C@@H]([N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C(C)(C)C ZINC000777955821 1032043849 /nfs/dbraw/zinc/04/38/49/1032043849.db2.gz YSFHCUIWMZBSNW-CYBMUJFWSA-N 1 0 316.405 3.782 20 5 DHBDRO CC[C@]1(C)CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963094 1032057391 /nfs/dbraw/zinc/05/73/91/1032057391.db2.gz GSAIIUGSVOIHLN-QGZVFWFLSA-N 1 0 314.389 3.538 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136690962 1033311426 /nfs/dbraw/zinc/31/14/26/1033311426.db2.gz NAUYPPHNPMKKFO-CQSZACIVSA-N 1 0 324.808 3.830 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927035252 1033395450 /nfs/dbraw/zinc/39/54/50/1033395450.db2.gz GNMIOVSMSUNSRU-IUODEOHRSA-N 1 0 318.442 3.990 20 5 DHBDRO Cc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)n1 ZINC000877730023 1033423821 /nfs/dbraw/zinc/42/38/21/1033423821.db2.gz KBEIROIOEGVXMV-UHFFFAOYSA-N 1 0 305.765 3.550 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(c3cccnc3)CC1)CC2 ZINC001172902832 1033436943 /nfs/dbraw/zinc/43/69/43/1033436943.db2.gz MIVNKUUXTVLJHR-QGZVFWFLSA-N 1 0 323.396 3.516 20 5 DHBDRO CCCCOCCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901909 1033437770 /nfs/dbraw/zinc/43/77/70/1033437770.db2.gz RJQZOFKLKJYPGL-KRWDZBQOSA-N 1 0 320.433 3.639 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1COc3ccccc31)CC2 ZINC001172901895 1033437864 /nfs/dbraw/zinc/43/78/64/1033437864.db2.gz RDABUVFIMCSFFU-CRAIPNDOSA-N 1 0 324.380 3.566 20 5 DHBDRO C[C@@]1(CF)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906704 1033438311 /nfs/dbraw/zinc/43/83/11/1033438311.db2.gz YAYJPEFNKBWDMG-RDJZCZTQSA-N 1 0 306.381 3.524 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)CC2 ZINC001172895980 1033462312 /nfs/dbraw/zinc/46/23/12/1033462312.db2.gz KGLOUFVDIBOKRF-ZIAGYGMSSA-N 1 0 310.344 3.620 20 5 DHBDRO C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H](C)C1 ZINC001172914830 1033464987 /nfs/dbraw/zinc/46/49/87/1033464987.db2.gz JOCQUUTUIOCQJG-KEYYUXOJSA-N 1 0 302.418 3.963 20 5 DHBDRO C[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C2(CC2)C1 ZINC001172918754 1033466224 /nfs/dbraw/zinc/46/62/24/1033466224.db2.gz CGCMWBQZKUWBKF-CZUORRHYSA-N 1 0 300.402 3.717 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151907934 1033490589 /nfs/dbraw/zinc/49/05/89/1033490589.db2.gz UWFKQAMVVMANEY-NWDGAFQWSA-N 1 0 320.414 3.745 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)cccc1[N+](=O)[O-] ZINC000478503866 1033495290 /nfs/dbraw/zinc/49/52/90/1033495290.db2.gz BITKAQRWEROTOI-CVEARBPZSA-N 1 0 306.406 3.585 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)Cc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000152158310 1033504847 /nfs/dbraw/zinc/50/48/47/1033504847.db2.gz ICWWBRJFKNLVBL-PIGZYNQJSA-N 1 0 317.389 3.872 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)Cc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000152158225 1033504861 /nfs/dbraw/zinc/50/48/61/1033504861.db2.gz ICWWBRJFKNLVBL-DIFFPNOSSA-N 1 0 317.389 3.872 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000152988968 1033553980 /nfs/dbraw/zinc/55/39/80/1033553980.db2.gz NLUBIEFVFGWDFZ-ZDUSSCGKSA-N 1 0 315.373 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC23CCCC3)c1F ZINC001173184277 1033583430 /nfs/dbraw/zinc/58/34/30/1033583430.db2.gz PKQHVAWKYYNINB-NHYWBVRUSA-N 1 0 322.380 3.596 20 5 DHBDRO CCCC[N@H+](CC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173186341 1033583580 /nfs/dbraw/zinc/58/35/80/1033583580.db2.gz REKJVGAIPGPVDC-LBPRGKRZSA-N 1 0 312.385 3.796 20 5 DHBDRO CC[C@H]1CCC[N@@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188176 1033583796 /nfs/dbraw/zinc/58/37/96/1033583796.db2.gz CZNZDQTZAPZBDP-NEPJUHHUSA-N 1 0 310.369 3.548 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188183 1033584592 /nfs/dbraw/zinc/58/45/92/1033584592.db2.gz CZNZDQTZAPZBDP-VXGBXAGGSA-N 1 0 310.369 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1F ZINC001173187081 1033584716 /nfs/dbraw/zinc/58/47/16/1033584716.db2.gz WMFSSOCOHGGEHH-RYUDHWBXSA-N 1 0 310.369 3.548 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC001173218494 1033597034 /nfs/dbraw/zinc/59/70/34/1033597034.db2.gz POGRXSKXPAELFC-OLZOCXBDSA-N 1 0 300.358 3.582 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001173215221 1033597322 /nfs/dbraw/zinc/59/73/22/1033597322.db2.gz UJZGEXQUUQWTOU-UONOGXRCSA-N 1 0 316.376 3.886 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c1cccc2F ZINC001173218065 1033597916 /nfs/dbraw/zinc/59/79/16/1033597916.db2.gz IVMFWJXDJYGXRC-XIKOKIGWSA-N 1 0 314.360 3.942 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001173221293 1033600177 /nfs/dbraw/zinc/60/01/77/1033600177.db2.gz HPEOMKPKKLGRGG-BNOWGMLFSA-N 1 0 310.344 3.503 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1Cc2ccccc2C1 ZINC001173223650 1033603670 /nfs/dbraw/zinc/60/36/70/1033603670.db2.gz JYFBRLISAFVXDG-AWEZNQCLSA-N 1 0 310.397 3.530 20 5 DHBDRO COc1cccc(C[N@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173226847 1033605885 /nfs/dbraw/zinc/60/58/85/1033605885.db2.gz LXGAWBVDJZBXAS-CQSZACIVSA-N 1 0 314.385 3.666 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccc(F)cc1 ZINC001173233719 1033608125 /nfs/dbraw/zinc/60/81/25/1033608125.db2.gz MNZVOQPHXHGOOE-AWEZNQCLSA-N 1 0 316.376 3.839 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001173234342 1033609083 /nfs/dbraw/zinc/60/90/83/1033609083.db2.gz OFOFLXZMVACBNY-GFCCVEGCSA-N 1 0 320.339 3.636 20 5 DHBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001173236241 1033614640 /nfs/dbraw/zinc/61/46/40/1033614640.db2.gz ZGLGRZCOAQDTQG-KDOFPFPSSA-N 1 0 313.401 3.908 20 5 DHBDRO Cc1ccc2c(c1)CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173237756 1033648056 /nfs/dbraw/zinc/64/80/56/1033648056.db2.gz MBYFPMLLAVOJKS-HNNXBMFYSA-N 1 0 310.397 3.893 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000878371617 1033679670 /nfs/dbraw/zinc/67/96/70/1033679670.db2.gz YLTQUUKEKXQWRP-JKSUJKDBSA-N 1 0 304.390 3.737 20 5 DHBDRO COC1CCC(C)(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000479447043 1033770980 /nfs/dbraw/zinc/77/09/80/1033770980.db2.gz AAGBNXYDXYDJKE-NVPAJSRCSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000878614931 1033771093 /nfs/dbraw/zinc/77/10/93/1033771093.db2.gz SYWPMFJOLKMHMS-KRWDZBQOSA-N 1 0 311.385 3.678 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000479588472 1033827434 /nfs/dbraw/zinc/82/74/34/1033827434.db2.gz XAHLKCUXPYSLTP-IRXDYDNUSA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1c([C@@H](C)NCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000480171386 1034111886 /nfs/dbraw/zinc/11/18/86/1034111886.db2.gz QNXNLDQULMLYPG-MRXNPFEDSA-N 1 0 319.449 3.676 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000794683324 1034341549 /nfs/dbraw/zinc/34/15/49/1034341549.db2.gz DFXFKWCQWNXWHX-CQSZACIVSA-N 1 0 316.405 3.721 20 5 DHBDRO C[C@H]([NH2+]Cc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1CCCO1 ZINC000183180063 1034356247 /nfs/dbraw/zinc/35/62/47/1034356247.db2.gz XKHNRLMDVKQTPX-GUYCJALGSA-N 1 0 323.392 3.603 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000480622294 1034357101 /nfs/dbraw/zinc/35/71/01/1034357101.db2.gz GFSOJXMNKBBDFV-LZWOXQAQSA-N 1 0 319.449 3.817 20 5 DHBDRO Cc1ccc([C@H](C)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000480658307 1034379889 /nfs/dbraw/zinc/37/98/89/1034379889.db2.gz AWQRZOPEQBDETG-HOTGVXAUSA-N 1 0 319.449 3.818 20 5 DHBDRO C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000480693189 1034404249 /nfs/dbraw/zinc/40/42/49/1034404249.db2.gz JSSHHIMPOABZKA-KBXCAEBGSA-N 1 0 319.449 3.756 20 5 DHBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183817996 1034419772 /nfs/dbraw/zinc/41/97/72/1034419772.db2.gz SCXFKUSLRWXUJK-SNVBAGLBSA-N 1 0 300.786 3.541 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCC[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000183980831 1034434694 /nfs/dbraw/zinc/43/46/94/1034434694.db2.gz VUKQZZBNAIUHKI-CABCVRRESA-N 1 0 306.406 3.903 20 5 DHBDRO CCSc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000185470655 1034552558 /nfs/dbraw/zinc/55/25/58/1034552558.db2.gz YHMPUMQNXDJZQS-UHFFFAOYSA-N 1 0 302.399 3.997 20 5 DHBDRO COc1ccsc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000186153298 1034603731 /nfs/dbraw/zinc/60/37/31/1034603731.db2.gz KBHWQBLUGUEWJQ-LLVKDONJSA-N 1 0 306.387 3.558 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCCC4(CC4)C3)co2)cc1 ZINC000186989903 1034677953 /nfs/dbraw/zinc/67/79/53/1034677953.db2.gz VTKNNKVVAYZSPU-UHFFFAOYSA-N 1 0 313.357 3.626 20 5 DHBDRO Cc1ccc([C@H](C)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000600155836 1034776654 /nfs/dbraw/zinc/77/66/54/1034776654.db2.gz IRWGBYQPWBITFP-CYBMUJFWSA-N 1 0 324.384 3.673 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(F)c1 ZINC000555582987 1034825845 /nfs/dbraw/zinc/82/58/45/1034825845.db2.gz KIJYUUBLXYIBPA-LBPRGKRZSA-N 1 0 318.323 3.863 20 5 DHBDRO CC(C)CC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159421116 1035051652 /nfs/dbraw/zinc/05/16/52/1035051652.db2.gz IFCOGJJLSBNEAW-UHFFFAOYSA-N 1 0 315.211 3.835 20 5 DHBDRO [NH3+]Cc1ccc(Nc2cc3cccnc3c3ncccc23)cc1 ZINC001175971076 1035169664 /nfs/dbraw/zinc/16/96/64/1035169664.db2.gz BHLINUKRMJGNBV-UHFFFAOYSA-N 1 0 300.365 3.985 20 5 DHBDRO C[C@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC001175984642 1035173770 /nfs/dbraw/zinc/17/37/70/1035173770.db2.gz WTNJTRNCSBPBFW-LLVKDONJSA-N 1 0 309.366 3.617 20 5 DHBDRO C[N+](C)(C)CCCO[C@@H]1CCc2ccc(Br)cc21 ZINC001224624403 1035187117 /nfs/dbraw/zinc/18/71/17/1035187117.db2.gz VZVJAEWEXZNXQG-OAHLLOKOSA-N 1 0 313.259 3.549 20 5 DHBDRO CC[C@@H](C)C[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000482893023 1035193396 /nfs/dbraw/zinc/19/33/96/1035193396.db2.gz RBZBHAAHWSTVIY-CYBMUJFWSA-N 1 0 321.421 3.600 20 5 DHBDRO CCC(CC)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000482883033 1035194089 /nfs/dbraw/zinc/19/40/89/1035194089.db2.gz CDMXACXIWDQPNW-UHFFFAOYSA-N 1 0 321.421 3.680 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000483739381 1035294504 /nfs/dbraw/zinc/29/45/04/1035294504.db2.gz BPLUKZINUUTXMR-GVDBMIGSSA-N 1 0 306.406 3.983 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000903282280 1035296988 /nfs/dbraw/zinc/29/69/88/1035296988.db2.gz KXSNYVXGIDRYQM-GVBJTNODSA-N 1 0 304.390 3.511 20 5 DHBDRO CC(C)C1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001177683669 1035387074 /nfs/dbraw/zinc/38/70/74/1035387074.db2.gz OBSZVPCZQSSYST-UHFFFAOYSA-N 1 0 306.406 3.778 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC001177736902 1035390505 /nfs/dbraw/zinc/39/05/05/1035390505.db2.gz FJZNJXBGCZSPTM-ZDUSSCGKSA-N 1 0 314.385 3.638 20 5 DHBDRO CSCc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC001178393250 1035425109 /nfs/dbraw/zinc/42/51/09/1035425109.db2.gz KIRIUGMIYKVSLR-UHFFFAOYSA-N 1 0 316.426 3.790 20 5 DHBDRO CC[C@H](C)CC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001179104834 1035465700 /nfs/dbraw/zinc/46/57/00/1035465700.db2.gz DQOAZUQGWCUBBS-JTQLQIEISA-N 1 0 315.211 3.883 20 5 DHBDRO COc1ccc(F)c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001179686537 1035488983 /nfs/dbraw/zinc/48/89/83/1035488983.db2.gz YXLJOXMQBIGUPO-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC001180091457 1035575576 /nfs/dbraw/zinc/57/55/76/1035575576.db2.gz BLWLTARTDVJSEJ-AWEZNQCLSA-N 1 0 322.405 3.710 20 5 DHBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000190950054 1035647592 /nfs/dbraw/zinc/64/75/92/1035647592.db2.gz XNZALEFIKJSBCE-HIFRSBDPSA-N 1 0 316.357 3.512 20 5 DHBDRO CC[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000386104480 1035682544 /nfs/dbraw/zinc/68/25/44/1035682544.db2.gz IUZBJVSLXPTISF-IAGOWNOFSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000535553041 1035688187 /nfs/dbraw/zinc/68/81/87/1035688187.db2.gz GIKNKLPDFYBBMY-AWEZNQCLSA-N 1 0 313.401 3.854 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089883470 1035764907 /nfs/dbraw/zinc/76/49/07/1035764907.db2.gz XFDCSVSPKCCGLV-BETUJISGSA-N 1 0 315.373 3.728 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000193023830 1035865427 /nfs/dbraw/zinc/86/54/27/1035865427.db2.gz JTIDENHKBJOLBK-HZPDHXFCSA-N 1 0 317.389 3.531 20 5 DHBDRO C[C@@H]1CSCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000539841153 1035896776 /nfs/dbraw/zinc/89/67/76/1035896776.db2.gz RHVHFHMJWCJAGU-GFCCVEGCSA-N 1 0 318.398 3.792 20 5 DHBDRO C[C@H]1CSCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000539840672 1035904363 /nfs/dbraw/zinc/90/43/63/1035904363.db2.gz JLKXAHKTFVWNMA-LBPRGKRZSA-N 1 0 318.398 3.792 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000595093500 1035922540 /nfs/dbraw/zinc/92/25/40/1035922540.db2.gz BPKUSMNUAFCSIA-SUMWQHHRSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1ccc(OCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540173479 1035996337 /nfs/dbraw/zinc/99/63/37/1035996337.db2.gz GLQFSJWIQKDSED-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000152922711 1036063985 /nfs/dbraw/zinc/06/39/85/1036063985.db2.gz FULWTOIFTFIKJW-QGZVFWFLSA-N 1 0 316.357 3.514 20 5 DHBDRO C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000494845611 1036086797 /nfs/dbraw/zinc/08/67/97/1036086797.db2.gz IKRAHCITENYOOS-VIFPVBQESA-N 1 0 308.275 3.945 20 5 DHBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC001195010970 1036106484 /nfs/dbraw/zinc/10/64/84/1036106484.db2.gz BJAAIMRSMWQSCU-GFCCVEGCSA-N 1 0 320.339 3.936 20 5 DHBDRO Cc1nn(C[NH+](CCC(C)C)CCC(C)C)c(C)c1[N+](=O)[O-] ZINC000914567874 1036118261 /nfs/dbraw/zinc/11/82/61/1036118261.db2.gz NOJBSXSQEPEKSD-UHFFFAOYSA-N 1 0 310.442 3.760 20 5 DHBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000541073124 1036232034 /nfs/dbraw/zinc/23/20/34/1036232034.db2.gz NRWNAVDEYGHPHN-LBPRGKRZSA-N 1 0 300.811 3.576 20 5 DHBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000541202526 1036258022 /nfs/dbraw/zinc/25/80/22/1036258022.db2.gz LEQDSCVTSVMSNO-VXGBXAGGSA-N 1 0 320.414 3.572 20 5 DHBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000541385676 1036316551 /nfs/dbraw/zinc/31/65/51/1036316551.db2.gz GZUVEFGKSKGMEP-SJCJKPOMSA-N 1 0 316.357 3.512 20 5 DHBDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541547035 1036353404 /nfs/dbraw/zinc/35/34/04/1036353404.db2.gz NMQWFPUCTPKJIP-OAHLLOKOSA-N 1 0 314.813 3.525 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC001182508281 1036367870 /nfs/dbraw/zinc/36/78/70/1036367870.db2.gz JVGGBVDWBVVREI-COXVUDFISA-N 1 0 302.418 3.942 20 5 DHBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775677963 1036408467 /nfs/dbraw/zinc/40/84/67/1036408467.db2.gz LKIZGJFCVRQTFY-KBRIMQKVSA-N 1 0 306.406 3.577 20 5 DHBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCCC1 ZINC001183060364 1036513574 /nfs/dbraw/zinc/51/35/74/1036513574.db2.gz VIWWFLFOSOZHSU-UHFFFAOYSA-N 1 0 312.797 3.687 20 5 DHBDRO Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596086564 1036533501 /nfs/dbraw/zinc/53/35/01/1036533501.db2.gz RJGNTMNMDKXUBQ-UHFFFAOYSA-N 1 0 311.451 3.521 20 5 DHBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487213145 1036587057 /nfs/dbraw/zinc/58/70/57/1036587057.db2.gz XOOHPRWONJYXEQ-ZANVPECISA-N 1 0 302.296 3.892 20 5 DHBDRO CC(C)[C@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636541 1036601252 /nfs/dbraw/zinc/60/12/52/1036601252.db2.gz VGWWANJSYGJETO-CQSZACIVSA-N 1 0 322.796 3.676 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000495402025 1036611990 /nfs/dbraw/zinc/61/19/90/1036611990.db2.gz PEDFQXYYQRWWIX-CABCVRRESA-N 1 0 314.385 3.755 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000495494721 1036686996 /nfs/dbraw/zinc/68/69/96/1036686996.db2.gz GTMHKVIAMYLGMS-LJQANCHMSA-N 1 0 310.397 3.748 20 5 DHBDRO CC(C)[NH+](CCNc1nccc2c1cccc2[N+](=O)[O-])C(C)C ZINC001184555740 1036884692 /nfs/dbraw/zinc/88/46/92/1036884692.db2.gz KSIPLOPYLSCYTD-UHFFFAOYSA-N 1 0 316.405 3.674 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)COCC2CCCCC2)cc1[N+](=O)[O-] ZINC001198000339 1036924693 /nfs/dbraw/zinc/92/46/93/1036924693.db2.gz HFEPDYXEIGEACP-HNNXBMFYSA-N 1 0 320.433 3.978 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2scnc2C)cc1[N+](=O)[O-] ZINC000153627364 1036938971 /nfs/dbraw/zinc/93/89/71/1036938971.db2.gz JKGHCRGWIUCJRO-SNVBAGLBSA-N 1 0 321.402 3.609 20 5 DHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001184999294 1036998852 /nfs/dbraw/zinc/99/88/52/1036998852.db2.gz VZXBXZWVUJCIAW-XQQFMLRXSA-N 1 0 309.385 3.512 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000488411987 1037007707 /nfs/dbraw/zinc/00/77/07/1037007707.db2.gz NWEPXMLRQWVSLF-WFASDCNBSA-N 1 0 324.446 3.613 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCOCC2(CCCC2)C1 ZINC000775847276 1037014423 /nfs/dbraw/zinc/01/44/23/1037014423.db2.gz AKCZRKVXFJWOBD-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001185089461 1037022138 /nfs/dbraw/zinc/02/21/38/1037022138.db2.gz ZEJUPXNQDNDMCX-SNVBAGLBSA-N 1 0 319.327 3.756 20 5 DHBDRO Cc1cc(N2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])s1 ZINC001185089414 1037022405 /nfs/dbraw/zinc/02/24/05/1037022405.db2.gz XDMGIQWPJDARKU-UHFFFAOYSA-N 1 0 323.462 3.667 20 5 DHBDRO O=[N+]([O-])c1cccc(CN(Cc2nc3ccccc3o2)C2CC2)c1 ZINC000153247627 1037056271 /nfs/dbraw/zinc/05/62/71/1037056271.db2.gz DNUAQZGMUARWJN-UHFFFAOYSA-N 1 0 323.352 3.901 20 5 DHBDRO CCC[C@H]([NH2+]CC1(O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000315838970 1037059372 /nfs/dbraw/zinc/05/93/72/1037059372.db2.gz HKLMNSUQRYMDIV-INIZCTEOSA-N 1 0 306.406 3.721 20 5 DHBDRO CC(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000774840353 1037064991 /nfs/dbraw/zinc/06/49/91/1037064991.db2.gz QGLCZYQMHRRHSW-UHFFFAOYSA-N 1 0 321.377 3.904 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001198800931 1037137625 /nfs/dbraw/zinc/13/76/25/1037137625.db2.gz NNWMITOICIVDKM-CJNGLKHVSA-N 1 0 306.406 3.793 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)COc2ccccc2F)cccc1[N+](=O)[O-] ZINC001199689797 1037308308 /nfs/dbraw/zinc/30/83/08/1037308308.db2.gz YVWIVQHKEUVKGS-GFCCVEGCSA-N 1 0 318.348 3.599 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccccc3C2)cc1Cl ZINC000761522489 1037341628 /nfs/dbraw/zinc/34/16/28/1037341628.db2.gz RQMSBZHTWJFOPH-HNNXBMFYSA-N 1 0 316.788 3.895 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c(C)c1 ZINC000761528373 1037349426 /nfs/dbraw/zinc/34/94/26/1037349426.db2.gz SRAKHZXBZNCDIU-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)Oc1ccccc1 ZINC000761525347 1037350794 /nfs/dbraw/zinc/35/07/94/1037350794.db2.gz HBVQOMGMNGCKAO-GFCCVEGCSA-N 1 0 320.776 3.805 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1 ZINC000761525335 1037352627 /nfs/dbraw/zinc/35/26/27/1037352627.db2.gz GTQGBXYVIISFPU-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCCCO3)o2)c1 ZINC001199905419 1037359281 /nfs/dbraw/zinc/35/92/81/1037359281.db2.gz AKKHNWZCXBTDSM-HNNXBMFYSA-N 1 0 316.357 3.514 20 5 DHBDRO Cc1cc(N(C)CCC[N@H+](C)Cc2ccco2)c([N+](=O)[O-])s1 ZINC001186381952 1037397861 /nfs/dbraw/zinc/39/78/61/1037397861.db2.gz ZCZPGSUNTWSUJX-UHFFFAOYSA-N 1 0 323.418 3.516 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000609234549 1037462080 /nfs/dbraw/zinc/46/20/80/1037462080.db2.gz URXXKOBTEJKUKB-GOSISDBHSA-N 1 0 312.369 3.558 20 5 DHBDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000775052446 1037500109 /nfs/dbraw/zinc/50/01/09/1037500109.db2.gz DHJRFZABHSYDCG-WBMJQRKESA-N 1 0 319.361 3.515 20 5 DHBDRO CC(C)OC1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000090771548 1037594153 /nfs/dbraw/zinc/59/41/53/1037594153.db2.gz UUFGMNOTFGCAJU-BZOOQXSSSA-N 1 0 306.406 3.982 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090774585 1037598321 /nfs/dbraw/zinc/59/83/21/1037598321.db2.gz WPCWVVPFGZYPFJ-NWDGAFQWSA-N 1 0 318.398 3.763 20 5 DHBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000152829594 1037607445 /nfs/dbraw/zinc/60/74/45/1037607445.db2.gz KEVVAHWMIQOSJE-GOSISDBHSA-N 1 0 318.420 3.703 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029484802 1037756454 /nfs/dbraw/zinc/75/64/54/1037756454.db2.gz DCLLTOAOYSJMPY-KRWDZBQOSA-N 1 0 312.369 3.723 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000763414210 1037833605 /nfs/dbraw/zinc/83/36/05/1037833605.db2.gz YFLNSBZCYUOTKV-HEHGZKQESA-N 1 0 318.373 3.659 20 5 DHBDRO CC[C@H]([NH2+]Cc1cn2ccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC001201769369 1037887865 /nfs/dbraw/zinc/88/78/65/1037887865.db2.gz GLRPRMRYJRBNJI-AWEZNQCLSA-N 1 0 316.386 3.545 20 5 DHBDRO C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000491181846 1037925031 /nfs/dbraw/zinc/92/50/31/1037925031.db2.gz GUBKOXJQZFMANP-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000154178645 1037963703 /nfs/dbraw/zinc/96/37/03/1037963703.db2.gz CTDOTVGXSNJERN-VIFPVBQESA-N 1 0 306.284 3.597 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2ccncc2)CC1 ZINC000589195004 1038448044 /nfs/dbraw/zinc/44/80/44/1038448044.db2.gz PWKNMXCAJSWTSJ-HYXAFXHYSA-N 1 0 323.396 3.883 20 5 DHBDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001191743972 1038541115 /nfs/dbraw/zinc/54/11/15/1038541115.db2.gz XSWAZFNWUIJSAQ-HOTGVXAUSA-N 1 0 306.406 3.620 20 5 DHBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001191743973 1038541986 /nfs/dbraw/zinc/54/19/86/1038541986.db2.gz XSWAZFNWUIJSAQ-HZPDHXFCSA-N 1 0 306.406 3.620 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CCO)CCCCC1 ZINC000165646839 1038548787 /nfs/dbraw/zinc/54/87/87/1038548787.db2.gz PUAVJAUFBNUCOD-HNNXBMFYSA-N 1 0 320.433 3.887 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000590203759 1038604238 /nfs/dbraw/zinc/60/42/38/1038604238.db2.gz ZCOTXRDAFDVAOK-CABCVRRESA-N 1 0 304.390 3.614 20 5 DHBDRO Cc1ccnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000590757597 1038699489 /nfs/dbraw/zinc/69/94/89/1038699489.db2.gz BODZMGWSENSQID-MRXNPFEDSA-N 1 0 311.385 3.678 20 5 DHBDRO C[N@H+](CCCNc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000057877785 1038759939 /nfs/dbraw/zinc/75/99/39/1038759939.db2.gz CYQLKVPQFPWGFN-UHFFFAOYSA-N 1 0 317.364 3.668 20 5 DHBDRO CC1CC(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000598647245 1038807259 /nfs/dbraw/zinc/80/72/59/1038807259.db2.gz HRBMBJBAJLTQSA-UHFFFAOYSA-N 1 0 317.414 3.854 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@@H]1CC1(F)F)C1CC1 ZINC000598679755 1038820806 /nfs/dbraw/zinc/82/08/06/1038820806.db2.gz MJGWRDLBTHLHOO-KGLIPLIRSA-N 1 0 310.344 3.551 20 5 DHBDRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593622920 1038885452 /nfs/dbraw/zinc/88/54/52/1038885452.db2.gz ZQZMVWICJJZWBG-DGCLKSJQSA-N 1 0 302.378 3.530 20 5 DHBDRO CC(C)OCCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000225200074 1038917703 /nfs/dbraw/zinc/91/77/03/1038917703.db2.gz YGUWMWPMNDUHBW-UHFFFAOYSA-N 1 0 300.786 3.543 20 5 DHBDRO C[C@@H](NCC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000157451400 1038980537 /nfs/dbraw/zinc/98/05/37/1038980537.db2.gz YCEYDOFNNLHWJY-CQSZACIVSA-N 1 0 305.422 3.510 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(C(F)(F)F)CCCC2)cs1 ZINC000599012810 1038997818 /nfs/dbraw/zinc/99/78/18/1038997818.db2.gz DAVPWVBVGGIGHM-UHFFFAOYSA-N 1 0 308.325 3.869 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)c(Cl)c1 ZINC000593667021 1039000982 /nfs/dbraw/zinc/00/09/82/1039000982.db2.gz RDRVGPQAVICFJO-MRXNPFEDSA-N 1 0 324.808 3.543 20 5 DHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CC=CCC2)n1 ZINC000599073067 1039027790 /nfs/dbraw/zinc/02/77/90/1039027790.db2.gz KVMJYGIRKWVUMM-ARFHVFGLSA-N 1 0 318.421 3.611 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000599074722 1039030776 /nfs/dbraw/zinc/03/07/76/1039030776.db2.gz VULMAWYWUKUFDO-HOCLYGCPSA-N 1 0 317.433 3.571 20 5 DHBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000593693653 1039080347 /nfs/dbraw/zinc/08/03/47/1039080347.db2.gz AXUSTPRUVQBVRQ-LBPRGKRZSA-N 1 0 320.414 3.526 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000593714947 1039095824 /nfs/dbraw/zinc/09/58/24/1039095824.db2.gz CQAGBMIEPNOKIT-UGSOOPFHSA-N 1 0 318.417 3.759 20 5 DHBDRO COCc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000573862322 1039097214 /nfs/dbraw/zinc/09/72/14/1039097214.db2.gz HYJXCZHALAQCMG-QGZVFWFLSA-N 1 0 312.369 3.518 20 5 DHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3=CCCC3)CC2)cc1 ZINC000592070065 1039116243 /nfs/dbraw/zinc/11/62/43/1039116243.db2.gz DMDCXKWIZQKKNR-UHFFFAOYSA-N 1 0 302.374 3.548 20 5 DHBDRO COc1cc(C[NH2+]C2(c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000592140057 1039132955 /nfs/dbraw/zinc/13/29/55/1039132955.db2.gz WSIFHTJTSOCEGA-UHFFFAOYSA-N 1 0 312.369 3.691 20 5 DHBDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-])CCOCC2 ZINC000592181475 1039162024 /nfs/dbraw/zinc/16/20/24/1039162024.db2.gz FBTDLLQEEODISR-GFCCVEGCSA-N 1 0 324.808 3.639 20 5 DHBDRO C[C@H]1CC2(C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl)CCOCC2 ZINC000592185089 1039172075 /nfs/dbraw/zinc/17/20/75/1039172075.db2.gz VICSQABDIPXDDF-LBPRGKRZSA-N 1 0 324.808 3.639 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC[C@@H]3C3CCC3)nc2c1 ZINC000592197411 1039182181 /nfs/dbraw/zinc/18/21/81/1039182181.db2.gz CBSNUROMCMRDDG-MRXNPFEDSA-N 1 0 314.389 3.626 20 5 DHBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000592380738 1039184940 /nfs/dbraw/zinc/18/49/40/1039184940.db2.gz QCWYMGRETHPOTF-RISCZKNCSA-N 1 0 318.398 3.838 20 5 DHBDRO C[C@@H](c1ccccc1F)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000603855083 1039189683 /nfs/dbraw/zinc/18/96/83/1039189683.db2.gz AYOSFFFIIFWSHB-ZDUSSCGKSA-N 1 0 318.348 3.806 20 5 DHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccccc2[N+](=O)[O-])C1 ZINC000603860660 1039195289 /nfs/dbraw/zinc/19/52/89/1039195289.db2.gz OPZFRJIMWPAWMC-HUUCEWRRSA-N 1 0 305.422 3.765 20 5 DHBDRO O=[N+]([O-])c1ccccc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000603932246 1039227327 /nfs/dbraw/zinc/22/73/27/1039227327.db2.gz ZNVMXMQCUWXFSG-UHFFFAOYSA-N 1 0 317.433 3.687 20 5 DHBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000058563143 1039275306 /nfs/dbraw/zinc/27/53/06/1039275306.db2.gz CCQORTDZEOSGBQ-UHFFFAOYSA-N 1 0 306.387 3.557 20 5 DHBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1 ZINC000058575435 1039280753 /nfs/dbraw/zinc/28/07/53/1039280753.db2.gz DBPMXZPYDZZHNA-UHFFFAOYSA-N 1 0 320.776 3.759 20 5 DHBDRO CCCc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000604473821 1039479197 /nfs/dbraw/zinc/47/91/97/1039479197.db2.gz QDDYSEWMKIKDEM-UHFFFAOYSA-N 1 0 314.385 3.846 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccccc1 ZINC000061759082 1039544575 /nfs/dbraw/zinc/54/45/75/1039544575.db2.gz VWVAVNJOIQXUKG-CQSZACIVSA-N 1 0 300.358 3.667 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593717244 1039593810 /nfs/dbraw/zinc/59/38/10/1039593810.db2.gz WTCYBUQOSVGGSP-FZKQIMNGSA-N 1 0 318.417 3.759 20 5 DHBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000058932503 1039632461 /nfs/dbraw/zinc/63/24/61/1039632461.db2.gz SQCPZQAOGYXNPU-ZDUSSCGKSA-N 1 0 318.348 3.806 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000168201039 1039807025 /nfs/dbraw/zinc/80/70/25/1039807025.db2.gz KRNBRSLHOXWLMQ-GHMZBOCLSA-N 1 0 303.362 3.920 20 5 DHBDRO Cc1cnc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000594509705 1039812591 /nfs/dbraw/zinc/81/25/91/1039812591.db2.gz LCBQSOIWQRCFGU-OAHLLOKOSA-N 1 0 313.401 3.808 20 5 DHBDRO COc1c(C)cccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594512572 1039818010 /nfs/dbraw/zinc/81/80/10/1039818010.db2.gz WFSKPAIYVKPDSQ-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1ccccn1 ZINC000594514963 1039818207 /nfs/dbraw/zinc/81/82/07/1039818207.db2.gz NKSLUTRJKVYZGB-HUUCEWRRSA-N 1 0 313.401 3.532 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594517303 1039822958 /nfs/dbraw/zinc/82/29/58/1039822958.db2.gz APNZDCQXXZMHKB-YXJHDRRASA-N 1 0 317.433 3.571 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594520847 1039829259 /nfs/dbraw/zinc/82/92/59/1039829259.db2.gz QBQMQWLQIBLRTD-UKPHBRMFSA-N 1 0 306.406 3.902 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCCCO1 ZINC000594520415 1039830086 /nfs/dbraw/zinc/83/00/86/1039830086.db2.gz PBLPNVXXTWBNSR-RRQGHBQHSA-N 1 0 306.406 3.902 20 5 DHBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594521393 1039830225 /nfs/dbraw/zinc/83/02/25/1039830225.db2.gz USXLPLHZTZVWIX-PRLJZHDASA-N 1 0 304.390 3.545 20 5 DHBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594521389 1039831406 /nfs/dbraw/zinc/83/14/06/1039831406.db2.gz USXLPLHZTZVWIX-GPXGYGPYSA-N 1 0 304.390 3.545 20 5 DHBDRO COCc1csc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000594925596 1039930323 /nfs/dbraw/zinc/93/03/23/1039930323.db2.gz OODOQODIHOOLIO-NSHDSACASA-N 1 0 306.387 3.654 20 5 DHBDRO COCc1csc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000594935582 1039951727 /nfs/dbraw/zinc/95/17/27/1039951727.db2.gz GIATYZMKEWYPAN-UHFFFAOYSA-N 1 0 320.414 3.828 20 5 DHBDRO Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000059394343 1039952678 /nfs/dbraw/zinc/95/26/78/1039952678.db2.gz IFDBYFXPUYRKAB-KRWDZBQOSA-N 1 0 317.364 3.757 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027743 1039955414 /nfs/dbraw/zinc/95/54/14/1039955414.db2.gz ZFXLKPYNJPRCOU-RHSMWYFYSA-N 1 0 318.417 3.998 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@]34C[C@@H]3CCC4)cs2)c1 ZINC000594948810 1039960702 /nfs/dbraw/zinc/96/07/02/1039960702.db2.gz AGWUBPMAYMBUSZ-LRDDRELGSA-N 1 0 315.398 3.751 20 5 DHBDRO CSCC1(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000594963221 1039969635 /nfs/dbraw/zinc/96/96/35/1039969635.db2.gz KZJORBKFADGAHQ-GQCTYLIASA-N 1 0 306.431 3.731 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000595003275 1040014080 /nfs/dbraw/zinc/01/40/80/1040014080.db2.gz FWBQUVMNVGIPGS-SJKOYZFVSA-N 1 0 312.369 3.942 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC000595003412 1040014760 /nfs/dbraw/zinc/01/47/60/1040014760.db2.gz FSWJGQKUUGCJPU-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(C(F)F)nc1 ZINC000595035511 1040041977 /nfs/dbraw/zinc/04/19/77/1040041977.db2.gz KREFDGVTOZTWIM-NSHDSACASA-N 1 0 321.327 3.821 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(OC)CCCCC1 ZINC000595032778 1040042010 /nfs/dbraw/zinc/04/20/10/1040042010.db2.gz MIRNQXIMTONJON-ZDUSSCGKSA-N 1 0 322.405 3.603 20 5 DHBDRO CCOC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000595039671 1040044468 /nfs/dbraw/zinc/04/44/68/1040044468.db2.gz VEDGFQDZYCYATN-ZDUSSCGKSA-N 1 0 322.405 3.603 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(SC)CCC1 ZINC000595046035 1040049197 /nfs/dbraw/zinc/04/91/97/1040049197.db2.gz COCODVZQTCYXDJ-NSHDSACASA-N 1 0 310.419 3.540 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000595052940 1040053440 /nfs/dbraw/zinc/05/34/40/1040053440.db2.gz UAYZAXITRBNEIK-JTQLQIEISA-N 1 0 314.332 3.689 20 5 DHBDRO COC1CC(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000595051903 1040055128 /nfs/dbraw/zinc/05/51/28/1040055128.db2.gz XBWQMARRBFWXRJ-AJUCZRQESA-N 1 0 318.417 3.722 20 5 DHBDRO C[C@@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595078771 1040073348 /nfs/dbraw/zinc/07/33/48/1040073348.db2.gz ATVWWVAOXSQJDT-ZBFHGGJFSA-N 1 0 317.433 3.652 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000595082006 1040076325 /nfs/dbraw/zinc/07/63/25/1040076325.db2.gz WAJRHNPZICDGLB-IINYFYTJSA-N 1 0 314.332 3.689 20 5 DHBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000595288973 1040090152 /nfs/dbraw/zinc/09/01/52/1040090152.db2.gz CTTUMZNBQGIQSC-MRXNPFEDSA-N 1 0 300.333 3.853 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@H]2CCC2CCCC2)c1[N+](=O)[O-] ZINC000595352813 1040124982 /nfs/dbraw/zinc/12/49/82/1040124982.db2.gz OLJDIXLKNRHEOB-AWEZNQCLSA-N 1 0 307.394 3.826 20 5 DHBDRO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000595420394 1040132593 /nfs/dbraw/zinc/13/25/93/1040132593.db2.gz CUBQYUKQZKCLFA-OAHLLOKOSA-N 1 0 317.389 3.737 20 5 DHBDRO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000595420392 1040133628 /nfs/dbraw/zinc/13/36/28/1040133628.db2.gz CUBQYUKQZKCLFA-HNNXBMFYSA-N 1 0 317.389 3.737 20 5 DHBDRO Cc1noc(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595451383 1040144245 /nfs/dbraw/zinc/14/42/45/1040144245.db2.gz XKXFNWDCYUWDCV-CABCVRRESA-N 1 0 315.373 3.707 20 5 DHBDRO Cc1noc(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595451390 1040144312 /nfs/dbraw/zinc/14/43/12/1040144312.db2.gz XKXFNWDCYUWDCV-HUUCEWRRSA-N 1 0 315.373 3.707 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2F)c1 ZINC000063247970 1040166627 /nfs/dbraw/zinc/16/66/27/1040166627.db2.gz CYKXYIKUZGIMSC-UHFFFAOYSA-N 1 0 317.364 3.798 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595782949 1040251644 /nfs/dbraw/zinc/25/16/44/1040251644.db2.gz KNHITMWWDUPXRI-KRWDZBQOSA-N 1 0 322.380 3.515 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccon2)CC1 ZINC000595827561 1040267071 /nfs/dbraw/zinc/26/70/71/1040267071.db2.gz DIHVRMOQRGIQLL-GFCCVEGCSA-N 1 0 301.346 3.523 20 5 DHBDRO C[NH+](C)CC(C)(C)CNc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001168767556 1040601846 /nfs/dbraw/zinc/60/18/46/1040601846.db2.gz FNAXLKKONMNVRD-UHFFFAOYSA-N 1 0 319.327 3.613 20 5 DHBDRO CCN(Cc1csc([N+](=O)[O-])c1)C[C@H](O)c1ccc(C)cc1 ZINC000174282079 1040605832 /nfs/dbraw/zinc/60/58/32/1040605832.db2.gz ZLMLUGJDDWUHNB-HNNXBMFYSA-N 1 0 320.414 3.520 20 5 DHBDRO CC(C)(C)OCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000608836888 1040625008 /nfs/dbraw/zinc/62/50/08/1040625008.db2.gz PJGBOXNXZUAMNA-UHFFFAOYSA-N 1 0 318.373 3.760 20 5 DHBDRO C[C@H](C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000608976679 1040656092 /nfs/dbraw/zinc/65/60/92/1040656092.db2.gz GTCGJGGUXCGQFW-OAHLLOKOSA-N 1 0 314.385 3.709 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H]4C[C@H]4C3)cs2)c1 ZINC000597223593 1040703861 /nfs/dbraw/zinc/70/38/61/1040703861.db2.gz QOGXIMOKEQPCPS-AAEUAGOBSA-N 1 0 315.398 3.560 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H]2CNc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000593321020 1040712199 /nfs/dbraw/zinc/71/21/99/1040712199.db2.gz WMDCDYZEEKWHIE-UKRRQHHQSA-N 1 0 311.385 3.591 20 5 DHBDRO C[C@H]([NH2+]CCCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000282092813 1040892658 /nfs/dbraw/zinc/89/26/58/1040892658.db2.gz VIYYDXNJBFRAHL-AWEZNQCLSA-N 1 0 306.406 3.842 20 5 DHBDRO COCCCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602529614 1041088605 /nfs/dbraw/zinc/08/86/05/1041088605.db2.gz BZWZKEUWVLLVPK-UHFFFAOYSA-N 1 0 320.311 3.520 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CS1 ZINC000602641036 1041127012 /nfs/dbraw/zinc/12/70/12/1041127012.db2.gz OXXUMDQQDDAOQW-KCJUWKMLSA-N 1 0 320.336 3.597 20 5 DHBDRO CSC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000602725011 1041180780 /nfs/dbraw/zinc/18/07/80/1041180780.db2.gz HCKKRMBKNPPYKA-RAXLEYEMSA-N 1 0 306.431 3.826 20 5 DHBDRO CSCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000076761372 185039425 /nfs/dbraw/zinc/03/94/25/185039425.db2.gz DZORCFVKLHAPKH-UHFFFAOYSA-N 1 0 323.443 3.561 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000090527796 185300570 /nfs/dbraw/zinc/30/05/70/185300570.db2.gz FMOIEZSJIFVZGK-YVEFUNNKSA-N 1 0 316.405 3.688 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000186753964 200004195 /nfs/dbraw/zinc/00/41/95/200004195.db2.gz SRCXHKPDLCYHPZ-SMDDNHRTSA-N 1 0 305.403 3.896 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000022745655 182332449 /nfs/dbraw/zinc/33/24/49/182332449.db2.gz QBOKKMOAFDYLBJ-ZDUSSCGKSA-N 1 0 300.358 3.796 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000272130468 130000400 /nfs/dbraw/zinc/00/04/00/130000400.db2.gz WKIVEDHBWVULRW-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO Cc1ccncc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272599038 130045277 /nfs/dbraw/zinc/04/52/77/130045277.db2.gz ITVJVVMJJNIWPV-GFCCVEGCSA-N 1 0 319.792 3.845 20 5 DHBDRO C[C@H](C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000273109167 130090304 /nfs/dbraw/zinc/09/03/04/130090304.db2.gz XBXPNBSADARDOF-VXGBXAGGSA-N 1 0 305.403 3.848 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000273354894 130111622 /nfs/dbraw/zinc/11/16/22/130111622.db2.gz BTWWZYUWDZIYQJ-ZBFHGGJFSA-N 1 0 306.406 3.587 20 5 DHBDRO COc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000273396372 130115510 /nfs/dbraw/zinc/11/55/10/130115510.db2.gz KYWUIYBPKQTRQT-UHFFFAOYSA-N 1 0 312.369 3.691 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCSC1)C1CC1 ZINC000286965276 131257939 /nfs/dbraw/zinc/25/79/39/131257939.db2.gz ICXCIENEJHVFEY-BBRMVZONSA-N 1 0 320.458 3.649 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COc3ccccc32)c(Cl)c1 ZINC000288564374 131331023 /nfs/dbraw/zinc/33/10/23/131331023.db2.gz MOEBWYFYTYLHSR-LBPRGKRZSA-N 1 0 318.760 3.514 20 5 DHBDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297155569 132001986 /nfs/dbraw/zinc/00/19/86/132001986.db2.gz COCLMRTUZDDDQO-PWSUYJOCSA-N 1 0 320.311 3.603 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000297455163 132016311 /nfs/dbraw/zinc/01/63/11/132016311.db2.gz XHSWKLRZXPMINO-AWEZNQCLSA-N 1 0 313.401 3.927 20 5 DHBDRO CC[C@@H]([NH2+]CCCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000163840693 132124851 /nfs/dbraw/zinc/12/48/51/132124851.db2.gz ORRPIBVTRMCZAS-MRXNPFEDSA-N 1 0 314.389 3.533 20 5 DHBDRO CCC[C@H]([NH2+]CC(CC)(CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000318521004 332895199 /nfs/dbraw/zinc/89/51/99/332895199.db2.gz BKTYJAMTSZNPEY-INIZCTEOSA-N 1 0 308.422 3.824 20 5 DHBDRO COC[C@@H](C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180245594 331564609 /nfs/dbraw/zinc/56/46/09/331564609.db2.gz IWTANVLRWUENDW-KBXCAEBGSA-N 1 0 314.385 3.556 20 5 DHBDRO C[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000538124207 331664109 /nfs/dbraw/zinc/66/41/09/331664109.db2.gz GVKSYLYLVXLZJT-ZDUSSCGKSA-N 1 0 310.353 3.721 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000518275213 332005309 /nfs/dbraw/zinc/00/53/09/332005309.db2.gz AQRICEOITMCQBV-CABCVRRESA-N 1 0 306.406 3.908 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000409844383 332059811 /nfs/dbraw/zinc/05/98/11/332059811.db2.gz UDJHYVMOVBOJBO-CYBMUJFWSA-N 1 0 309.369 3.969 20 5 DHBDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000142080080 332150032 /nfs/dbraw/zinc/15/00/32/332150032.db2.gz NSCICNJVHHVXMU-TUAOUCFPSA-N 1 0 318.377 3.730 20 5 DHBDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000142080496 332150382 /nfs/dbraw/zinc/15/03/82/332150382.db2.gz NSCICNJVHHVXMU-SRVKXCTJSA-N 1 0 318.377 3.730 20 5 DHBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000092757837 332167709 /nfs/dbraw/zinc/16/77/09/332167709.db2.gz ISDVLPZKHWQXQE-QGZVFWFLSA-N 1 0 311.385 3.590 20 5 DHBDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000092757835 332167921 /nfs/dbraw/zinc/16/79/21/332167921.db2.gz ISDVLPZKHWQXQE-KRWDZBQOSA-N 1 0 311.385 3.590 20 5 DHBDRO Cc1nsc(C)c1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584270307 332178006 /nfs/dbraw/zinc/17/80/06/332178006.db2.gz IDJRUPIZOYEGGB-JTQLQIEISA-N 1 0 305.403 3.827 20 5 DHBDRO CC/C=C/C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449450945 332204887 /nfs/dbraw/zinc/20/48/87/332204887.db2.gz CAVPYDWYQCWKOO-ONEGZZNKSA-N 1 0 303.387 3.774 20 5 DHBDRO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449463612 332237604 /nfs/dbraw/zinc/23/76/04/332237604.db2.gz WPTHBRPZDZPNJA-CMPLNLGQSA-N 1 0 302.296 3.758 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000559897849 332291159 /nfs/dbraw/zinc/29/11/59/332291159.db2.gz RVNMIBUUHWWOAY-ZBFHGGJFSA-N 1 0 320.433 3.743 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000560584128 332365458 /nfs/dbraw/zinc/36/54/58/332365458.db2.gz HRPSDIQZJIBGRZ-JTQLQIEISA-N 1 0 302.296 3.896 20 5 DHBDRO COCC1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000583428146 332402846 /nfs/dbraw/zinc/40/28/46/332402846.db2.gz BZBHYMYYPRWNGM-WLYUNCDWSA-N 1 0 306.406 3.759 20 5 DHBDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000449781726 332531751 /nfs/dbraw/zinc/53/17/51/332531751.db2.gz JKQXXSYXWBVTEV-JTQLQIEISA-N 1 0 324.377 3.525 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C(F)(F)F)C1 ZINC000562110115 332547938 /nfs/dbraw/zinc/54/79/38/332547938.db2.gz ALPHSYLCXQQUNN-PKSQDBQZSA-N 1 0 316.323 3.846 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cccc1[N+](=O)[O-] ZINC000318165386 332615644 /nfs/dbraw/zinc/61/56/44/332615644.db2.gz KWSOVVWSRZBDKZ-MRXNPFEDSA-N 1 0 316.788 3.814 20 5 DHBDRO Cc1cc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000562779036 332625760 /nfs/dbraw/zinc/62/57/60/332625760.db2.gz CLTOGOJHGZDYPE-LBPRGKRZSA-N 1 0 306.387 3.694 20 5 DHBDRO COC1CCC(C)(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000569941469 332695475 /nfs/dbraw/zinc/69/54/75/332695475.db2.gz PZRJIUSKVSGEGB-MNQCNDSGSA-N 1 0 318.417 3.767 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000178110018 333001695 /nfs/dbraw/zinc/00/16/95/333001695.db2.gz UIWSLHYKBLEYKR-XJKSGUPXSA-N 1 0 312.369 3.558 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(c3ccccc3)C2)c(F)c1 ZINC000466422010 333019889 /nfs/dbraw/zinc/01/98/89/333019889.db2.gz PNVCHJUFQTZLKS-UHFFFAOYSA-N 1 0 300.333 3.770 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000180437184 333028396 /nfs/dbraw/zinc/02/83/96/333028396.db2.gz OCKBKSHCHQYCCJ-GFCCVEGCSA-N 1 0 315.329 3.662 20 5 DHBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000584330213 333034282 /nfs/dbraw/zinc/03/42/82/333034282.db2.gz ZDQYTAUIYMTQTC-UKRRQHHQSA-N 1 0 318.398 3.590 20 5 DHBDRO CO[C@@](C)(C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000462815413 333118699 /nfs/dbraw/zinc/11/86/99/333118699.db2.gz CZMNCOMDTGMOTB-AEFFLSMTSA-N 1 0 318.417 3.722 20 5 DHBDRO Cc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000179620684 333153330 /nfs/dbraw/zinc/15/33/30/333153330.db2.gz NHCMERRFYKODEW-GFCCVEGCSA-N 1 0 302.296 3.678 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)[C@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000388327773 333267690 /nfs/dbraw/zinc/26/76/90/333267690.db2.gz CQTATNDIIIUTJT-ZLIFDBKOSA-N 1 0 306.406 3.839 20 5 DHBDRO CCC[C@@H]([NH2+]CC1(COC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000319354213 333286432 /nfs/dbraw/zinc/28/64/32/333286432.db2.gz UDSDVYIETRUOHM-MRXNPFEDSA-N 1 0 306.406 3.842 20 5 DHBDRO Cc1cc(NC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000390600010 333304845 /nfs/dbraw/zinc/30/48/45/333304845.db2.gz ZZJRQFUSKLULFI-HNNXBMFYSA-N 1 0 313.401 3.836 20 5 DHBDRO COc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000525787623 333313702 /nfs/dbraw/zinc/31/37/02/333313702.db2.gz FUWIRZNOSSYMKD-VHDGCEQUSA-N 1 0 304.390 3.756 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000531191019 333329814 /nfs/dbraw/zinc/32/98/14/333329814.db2.gz HLNZCGBVCZKCTA-UHFFFAOYSA-N 1 0 306.431 3.847 20 5 DHBDRO COc1ccc(CN2C[C@H](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000531378412 333347441 /nfs/dbraw/zinc/34/74/41/333347441.db2.gz ITQGUHQGJULZMN-UGSOOPFHSA-N 1 0 312.369 3.796 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000488545076 333383919 /nfs/dbraw/zinc/38/39/19/333383919.db2.gz OIFFQDOTOSNDBV-ZFWWWQNUSA-N 1 0 308.447 3.913 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000390980194 333413108 /nfs/dbraw/zinc/41/31/08/333413108.db2.gz CMOWKODWRZHUTA-RRQGHBQHSA-N 1 0 318.417 3.983 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000390980192 333413139 /nfs/dbraw/zinc/41/31/39/333413139.db2.gz CMOWKODWRZHUTA-IAOVAPTHSA-N 1 0 318.417 3.983 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1NCCCCC[NH+]1CCCCC1 ZINC000303462365 333648927 /nfs/dbraw/zinc/64/89/27/333648927.db2.gz HKQAIVGOVSCRPE-UHFFFAOYSA-N 1 0 309.385 3.802 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000414238221 333917926 /nfs/dbraw/zinc/91/79/26/333917926.db2.gz XHMZHNWZCZTXGQ-GVXVVHGQSA-N 1 0 310.419 3.538 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000414234310 333927692 /nfs/dbraw/zinc/92/76/92/333927692.db2.gz IYFKXLDAYTZKBL-AHIWAGSCSA-N 1 0 306.406 3.757 20 5 DHBDRO COC1([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000414293671 333934800 /nfs/dbraw/zinc/93/48/00/333934800.db2.gz BRMJFLNRQDSVOP-LRDDRELGSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000266516137 333974200 /nfs/dbraw/zinc/97/42/00/333974200.db2.gz GQVXGZNBQFIFSI-HNNXBMFYSA-N 1 0 317.433 3.606 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000430225912 334002639 /nfs/dbraw/zinc/00/26/39/334002639.db2.gz ZLWHCXNGUGSNOT-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1CN(Cc1ccncc1)C1CC1 ZINC000271418925 334023131 /nfs/dbraw/zinc/02/31/31/334023131.db2.gz XVLJRDZJENJGLV-UHFFFAOYSA-N 1 0 317.776 3.808 20 5 DHBDRO CCC[C@H]([NH2+]CCC(OCC)OCC)c1cccc([N+](=O)[O-])c1 ZINC000276510924 334080456 /nfs/dbraw/zinc/08/04/56/334080456.db2.gz KQDVYOLNTULTFR-INIZCTEOSA-N 1 0 324.421 3.815 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000290222974 334171780 /nfs/dbraw/zinc/17/17/80/334171780.db2.gz IDODAXBMBMFBIS-SUNYJGFJSA-N 1 0 314.385 3.676 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2cccc3c2CCCN3)cc1[N+](=O)[O-] ZINC000415036775 334260547 /nfs/dbraw/zinc/26/05/47/334260547.db2.gz NUOIOEMFAXHMKK-UHFFFAOYSA-N 1 0 311.385 3.551 20 5 DHBDRO C[C@H]([NH2+]CCO[C@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000531938549 334299523 /nfs/dbraw/zinc/29/95/23/334299523.db2.gz OBFWXWWUIXZRGA-ZQIUZPCESA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000531944310 334300192 /nfs/dbraw/zinc/30/01/92/334300192.db2.gz AASMWGROSNQWDP-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[NH+](C(C)C)C(C)C ZINC000531947917 334302727 /nfs/dbraw/zinc/30/27/27/334302727.db2.gz MLWRFDPKYGBOJQ-OAHLLOKOSA-N 1 0 307.438 3.673 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccccc1F ZINC000531947998 334302915 /nfs/dbraw/zinc/30/29/15/334302915.db2.gz FRHQENJYOIUEOB-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccc2[nH]cnc2c1)C1CC1 ZINC000535072487 334364433 /nfs/dbraw/zinc/36/44/33/334364433.db2.gz OCFOTJJYEMDQGO-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO C[C@H](c1cc(F)ccc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535245670 334382168 /nfs/dbraw/zinc/38/21/68/334382168.db2.gz HFYLQRBJCVNRSK-LLVKDONJSA-N 1 0 318.323 3.992 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3cc(F)ccc32)c1 ZINC000341875804 334488589 /nfs/dbraw/zinc/48/85/89/334488589.db2.gz DBDOJTOILGXCMX-GOSISDBHSA-N 1 0 314.360 3.944 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000341873194 334488644 /nfs/dbraw/zinc/48/86/44/334488644.db2.gz FPNRYMODZFFJEC-PVAVHDDUSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1cccc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)(C)C)c1 ZINC000342047115 334504567 /nfs/dbraw/zinc/50/45/67/334504567.db2.gz XIIWQSIAIFIVCU-OAHLLOKOSA-N 1 0 316.405 3.514 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000344088919 335217070 /nfs/dbraw/zinc/21/70/70/335217070.db2.gz KZCZZMXYZVPJGG-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCCc2occc2C1 ZINC000344232976 335230638 /nfs/dbraw/zinc/23/06/38/335230638.db2.gz HBUATHDHVRVUJO-UHFFFAOYSA-N 1 0 316.357 3.535 20 5 DHBDRO CC[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000344336786 335242086 /nfs/dbraw/zinc/24/20/86/335242086.db2.gz VQUMLWDTVOFBJT-WMLDXEAASA-N 1 0 320.433 3.824 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)c1nccs1 ZINC000344812134 335280593 /nfs/dbraw/zinc/28/05/93/335280593.db2.gz NBOHPSWLOWOJDV-YQCJOKCJSA-N 1 0 317.414 3.848 20 5 DHBDRO CCC[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000158085732 338476363 /nfs/dbraw/zinc/47/63/63/338476363.db2.gz VCOLJCDWVWFFFJ-JKSUJKDBSA-N 1 0 308.422 3.823 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C3CC3)co2)cc1 ZINC000366893982 335314919 /nfs/dbraw/zinc/31/49/19/335314919.db2.gz DFHXPHMSGGIQBO-INIZCTEOSA-N 1 0 313.357 3.624 20 5 DHBDRO CO[C@@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000345483020 335329062 /nfs/dbraw/zinc/32/90/62/335329062.db2.gz KQFUHMYTOAZFEE-MFKMUULPSA-N 1 0 320.311 3.521 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCSC1)CCC2 ZINC000348217550 335562295 /nfs/dbraw/zinc/56/22/95/335562295.db2.gz AUPYDEOKOMLQNA-BLLLJJGKSA-N 1 0 306.431 3.705 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000192466099 336034943 /nfs/dbraw/zinc/03/49/43/336034943.db2.gz WRYZQVQFKPTPHW-VXGBXAGGSA-N 1 0 314.341 3.735 20 5 DHBDRO CO[C@@](C)(CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000324056767 336046684 /nfs/dbraw/zinc/04/66/84/336046684.db2.gz ZIHVELVASNJDPT-KRWDZBQOSA-N 1 0 315.373 3.678 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192591151 336169757 /nfs/dbraw/zinc/16/97/57/336169757.db2.gz SIJQUDYMULUEGD-SFHVURJKSA-N 1 0 312.369 3.771 20 5 DHBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(O)cc(F)c1 ZINC000352002314 336188032 /nfs/dbraw/zinc/18/80/32/336188032.db2.gz KQGUITWISUEYGR-UHFFFAOYSA-N 1 0 318.348 3.850 20 5 DHBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352370653 336214704 /nfs/dbraw/zinc/21/47/04/336214704.db2.gz BPAVYRXJFNJGQY-ZIAGYGMSSA-N 1 0 316.373 3.637 20 5 DHBDRO CO[C@@H](C)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352685075 336230368 /nfs/dbraw/zinc/23/03/68/336230368.db2.gz RJGZHIOCRPYAQT-KSSFIOAISA-N 1 0 314.385 3.699 20 5 DHBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000532531608 336253999 /nfs/dbraw/zinc/25/39/99/336253999.db2.gz UGSUWUBLQXXTCM-YLQAJVPDSA-N 1 0 306.406 3.757 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3ccccc3)CCC2)cc1 ZINC000532659119 336265095 /nfs/dbraw/zinc/26/50/95/336265095.db2.gz CBKCDZRSHLBBON-UHFFFAOYSA-N 1 0 312.369 3.643 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000352836589 336272478 /nfs/dbraw/zinc/27/24/78/336272478.db2.gz VBXGYQNXNMWHRJ-UHFFFAOYSA-N 1 0 316.304 3.965 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000182684683 336280867 /nfs/dbraw/zinc/28/08/67/336280867.db2.gz MZYAYGVLNHZBDK-HNNXBMFYSA-N 1 0 319.449 3.628 20 5 DHBDRO C[C@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC[C@H]1O ZINC000192929261 336284706 /nfs/dbraw/zinc/28/47/06/336284706.db2.gz YSYMONNJMLTKGG-KZNAEPCWSA-N 1 0 318.417 3.503 20 5 DHBDRO CC(C)[NH+]1CCC(N(C)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301081012 336288844 /nfs/dbraw/zinc/28/88/44/336288844.db2.gz QDANEIJVVDGJGK-UHFFFAOYSA-N 1 0 311.813 3.557 20 5 DHBDRO Cc1ccc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000302035170 336344559 /nfs/dbraw/zinc/34/45/59/336344559.db2.gz FFXSQYVNENUEST-GJZGRUSLSA-N 1 0 317.433 3.968 20 5 DHBDRO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302049794 336345551 /nfs/dbraw/zinc/34/55/51/336345551.db2.gz NFFKEHMOOAXYHN-ZIAGYGMSSA-N 1 0 303.406 3.660 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000302653799 336363679 /nfs/dbraw/zinc/36/36/79/336363679.db2.gz HBACFIYHVZMJCD-ZDUSSCGKSA-N 1 0 323.824 3.621 20 5 DHBDRO CCC[NH+]1CCC(N(C)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000302763626 336368049 /nfs/dbraw/zinc/36/80/49/336368049.db2.gz KXTIQTYGXVFKRY-UHFFFAOYSA-N 1 0 311.813 3.559 20 5 DHBDRO CC(C)c1ccc(C[NH2+]Cc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC000353038172 336386813 /nfs/dbraw/zinc/38/68/13/336386813.db2.gz YKRDCEYZRJUFEC-UHFFFAOYSA-N 1 0 324.384 3.656 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353091265 336400305 /nfs/dbraw/zinc/40/03/05/336400305.db2.gz WFBLQVLQJXONSL-UTCJRWHESA-N 1 0 314.307 3.930 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCc2c[nH]c3ncccc23)cccc1[N+](=O)[O-] ZINC000358351901 336625628 /nfs/dbraw/zinc/62/56/28/336625628.db2.gz MFVSGQTXJNMBGY-CYBMUJFWSA-N 1 0 324.384 3.673 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000359002467 336652442 /nfs/dbraw/zinc/65/24/42/336652442.db2.gz OZMKHMKWKCZGBO-SNVBAGLBSA-N 1 0 314.332 3.689 20 5 DHBDRO C[C@H](CCOCc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000389967860 336928727 /nfs/dbraw/zinc/92/87/27/336928727.db2.gz PHLOESHUKKEAAN-OAHLLOKOSA-N 1 0 314.385 3.680 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000375238531 337006420 /nfs/dbraw/zinc/00/64/20/337006420.db2.gz RIKMZOBGOGPGAT-LSDHHAIUSA-N 1 0 318.417 3.855 20 5 DHBDRO Cc1ccnc(SCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000193744433 337079317 /nfs/dbraw/zinc/07/93/17/337079317.db2.gz UYLRKEOBHCWCCE-UHFFFAOYSA-N 1 0 317.414 3.522 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000582762766 337138255 /nfs/dbraw/zinc/13/82/55/337138255.db2.gz MXGKBGQEWGKBHK-IPJQOSJUSA-N 1 0 318.417 3.863 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000174349388 337140934 /nfs/dbraw/zinc/14/09/34/337140934.db2.gz JKLRWVBRFQKMLR-NWDGAFQWSA-N 1 0 300.449 3.762 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2)c1 ZINC000180549614 337176290 /nfs/dbraw/zinc/17/62/90/337176290.db2.gz CUZBOPHFBIEPQH-YRXWBPOGSA-N 1 0 324.380 3.594 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000187308267 337264081 /nfs/dbraw/zinc/26/40/81/337264081.db2.gz STVJMESKOQTPDK-YYIAUSFCSA-N 1 0 304.390 3.593 20 5 DHBDRO CCC(O)(CC)C(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000583763763 337331558 /nfs/dbraw/zinc/33/15/58/337331558.db2.gz JKNURBSRPXICOV-ZDUSSCGKSA-N 1 0 308.422 3.823 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COc2ccccc21 ZINC000572200855 337596562 /nfs/dbraw/zinc/59/65/62/337596562.db2.gz IUEDVBABYSBXOY-MBSJSRAVSA-N 1 0 324.380 3.764 20 5 DHBDRO CC(C)COC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255148494 337601448 /nfs/dbraw/zinc/60/14/48/337601448.db2.gz LSIJRLZUJJICAQ-ALCCZGGFSA-N 1 0 318.417 3.745 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000537305117 337929850 /nfs/dbraw/zinc/92/98/50/337929850.db2.gz CIUXWEOLPZLOHO-RRQGHBQHSA-N 1 0 318.417 3.983 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1(O)CCCCCC1 ZINC000426265926 338024037 /nfs/dbraw/zinc/02/40/37/338024037.db2.gz WKQWHUQIGPGWAV-CQSZACIVSA-N 1 0 306.406 3.673 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CSC)C2)ccc1[N+](=O)[O-] ZINC000429290431 338076445 /nfs/dbraw/zinc/07/64/45/338076445.db2.gz GAHRSZYXGAJRFN-AWEZNQCLSA-N 1 0 324.446 3.569 20 5 DHBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000429583810 338085332 /nfs/dbraw/zinc/08/53/32/338085332.db2.gz BWBKOAWUTVGRNN-LRDDRELGSA-N 1 0 315.373 3.870 20 5 DHBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429768926 338089388 /nfs/dbraw/zinc/08/93/88/338089388.db2.gz QYPRZHITLPAOPM-BLLLJJGKSA-N 1 0 315.373 3.918 20 5 DHBDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430194303 338100556 /nfs/dbraw/zinc/10/05/56/338100556.db2.gz JANFDLOJAOSNNS-LBPRGKRZSA-N 1 0 312.435 3.567 20 5 DHBDRO C[N@H+](CCSCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000430741155 338112978 /nfs/dbraw/zinc/11/29/78/338112978.db2.gz LQSHGHNEXAIAQC-UHFFFAOYSA-N 1 0 316.426 3.960 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1NC1CC[NH+](CC2CC2)CC1 ZINC000432326158 338153106 /nfs/dbraw/zinc/15/31/06/338153106.db2.gz AETMEHDZVIFSEK-UHFFFAOYSA-N 1 0 309.797 3.535 20 5 DHBDRO CC1(C)CC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000433064210 338179629 /nfs/dbraw/zinc/17/96/29/338179629.db2.gz WPFHPBPVOOWDMI-UHFFFAOYSA-N 1 0 302.296 3.892 20 5 DHBDRO CCC(O)(CC)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433087263 338180992 /nfs/dbraw/zinc/18/09/92/338180992.db2.gz IIXUYJMETHEOFH-INIZCTEOSA-N 1 0 320.433 3.848 20 5 DHBDRO CC[C@H](C)[N@H+](C)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433173671 338184121 /nfs/dbraw/zinc/18/41/21/338184121.db2.gz HHFGUQJOBHWFIP-GUYCJALGSA-N 1 0 319.449 3.637 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CC2(O)CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433178570 338184302 /nfs/dbraw/zinc/18/43/02/338184302.db2.gz WQWPMFBWUYODGP-MRXNPFEDSA-N 1 0 318.417 3.602 20 5 DHBDRO CCC(CC)C[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000435067275 338231549 /nfs/dbraw/zinc/23/15/49/338231549.db2.gz XXQNJUHNRVSMRU-UHFFFAOYSA-N 1 0 305.378 3.994 20 5 DHBDRO COc1ccccc1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000154556138 338245842 /nfs/dbraw/zinc/24/58/42/338245842.db2.gz WSBGYMORHUKWFF-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO CCCC[C@@H](COC)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447546025 338556102 /nfs/dbraw/zinc/55/61/02/338556102.db2.gz ZRFWWQABPGOTNX-WMLDXEAASA-N 1 0 306.406 3.767 20 5 DHBDRO CC(C)CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447585694 338559464 /nfs/dbraw/zinc/55/94/64/338559464.db2.gz KARRPNCRPWCIFL-GJZGRUSLSA-N 1 0 320.437 3.691 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC000447597964 338561021 /nfs/dbraw/zinc/56/10/21/338561021.db2.gz GKVNLAKBFRMADV-GOEBONIOSA-N 1 0 317.433 3.571 20 5 DHBDRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059007 338589243 /nfs/dbraw/zinc/58/92/43/338589243.db2.gz NVVKFGWNVDAMMR-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000449169339 338598831 /nfs/dbraw/zinc/59/88/31/338598831.db2.gz GMUMBRLMSVSTSK-INIZCTEOSA-N 1 0 318.417 3.609 20 5 DHBDRO COCC1CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449175778 338599393 /nfs/dbraw/zinc/59/93/93/338599393.db2.gz RRRRAUBEBIQFJG-UHFFFAOYSA-N 1 0 320.433 3.712 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000449216689 338603157 /nfs/dbraw/zinc/60/31/57/338603157.db2.gz UOKJQNSCRFOFDQ-ABAIWWIYSA-N 1 0 317.389 3.872 20 5 DHBDRO CCCc1ncc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000449614049 338641188 /nfs/dbraw/zinc/64/11/88/338641188.db2.gz UKHMFNNRWCGARE-ZDUSSCGKSA-N 1 0 317.389 3.646 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cnccc2C)cc1[N+](=O)[O-] ZINC000453318369 338823908 /nfs/dbraw/zinc/82/39/08/338823908.db2.gz BIPXQTVDVPAZPM-ZDUSSCGKSA-N 1 0 315.373 3.548 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000453402621 338838872 /nfs/dbraw/zinc/83/88/72/338838872.db2.gz CLGNSUDMIFJLGO-UONOGXRCSA-N 1 0 306.406 3.759 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000459430909 339028773 /nfs/dbraw/zinc/02/87/73/339028773.db2.gz RUHPIXJXIFDXLD-MRXNPFEDSA-N 1 0 312.373 3.503 20 5 DHBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000459641323 339039821 /nfs/dbraw/zinc/03/98/21/339039821.db2.gz MIEOCUXKEUVVKU-ZDUSSCGKSA-N 1 0 317.364 3.630 20 5 DHBDRO COC1CCC([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000459669861 339042115 /nfs/dbraw/zinc/04/21/15/339042115.db2.gz DGNKDKOBHXKQCM-UHFFFAOYSA-N 1 0 306.406 3.765 20 5 DHBDRO CCCC[NH+]1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462379646 339077496 /nfs/dbraw/zinc/07/74/96/339077496.db2.gz KSAOYWZXINWWEP-UHFFFAOYSA-N 1 0 311.813 3.925 20 5 DHBDRO COc1ccc(C[NH2+]C2CCC(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000462774780 339087893 /nfs/dbraw/zinc/08/78/93/339087893.db2.gz OYMCLQKTYARAEH-UHFFFAOYSA-N 1 0 306.406 3.908 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000462829075 339092882 /nfs/dbraw/zinc/09/28/82/339092882.db2.gz WNACAJVHWHTYSW-GFCCVEGCSA-N 1 0 309.797 3.677 20 5 DHBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463408267 339116843 /nfs/dbraw/zinc/11/68/43/339116843.db2.gz YLYCZPOUOGMXEL-UHOFOFEASA-N 1 0 306.406 3.838 20 5 DHBDRO COc1ccc(C[NH2+]CCC2=CCCCCC2)cc1[N+](=O)[O-] ZINC000463711657 339124357 /nfs/dbraw/zinc/12/43/57/339124357.db2.gz SIYVMDHULONYAB-UHFFFAOYSA-N 1 0 304.390 3.974 20 5 DHBDRO CC(C)O[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1(C)C ZINC000464075896 339133342 /nfs/dbraw/zinc/13/33/42/339133342.db2.gz QPZSSGZTECDWSL-FCLXQVKYSA-N 1 0 318.417 3.790 20 5 DHBDRO CC[C@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCCO1 ZINC000467562022 339242895 /nfs/dbraw/zinc/24/28/95/339242895.db2.gz IQUDMJOZCVJNQM-HNNXBMFYSA-N 1 0 306.406 3.719 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1F ZINC000467979384 339250322 /nfs/dbraw/zinc/25/03/22/339250322.db2.gz VNRYULAIFSYIOZ-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO CCOc1ccccc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000468005989 339250944 /nfs/dbraw/zinc/25/09/44/339250944.db2.gz RMGHTYHSXDMRFG-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(F)(F)F ZINC000468044240 339252510 /nfs/dbraw/zinc/25/25/10/339252510.db2.gz FMMKPOOAPZNAPY-QWRGUYRKSA-N 1 0 304.312 3.846 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccncc1 ZINC000468553576 339266178 /nfs/dbraw/zinc/26/61/78/339266178.db2.gz LSMQSUCECARLME-GJZGRUSLSA-N 1 0 313.401 3.532 20 5 DHBDRO COC1CCC(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000468558631 339266493 /nfs/dbraw/zinc/26/64/93/339266493.db2.gz DJICBEMNASXNRU-HPUBIQBYSA-N 1 0 320.433 3.711 20 5 DHBDRO CCOCCC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468610466 339267079 /nfs/dbraw/zinc/26/70/79/339267079.db2.gz SJTDRAXHKBSYBD-RVDMUPIBSA-N 1 0 318.417 3.795 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000468622620 339267255 /nfs/dbraw/zinc/26/72/55/339267255.db2.gz UVMDZBJZBRQRMB-MKPVWWQNSA-N 1 0 316.401 3.545 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CCO)CC(C)C ZINC000468735307 339269430 /nfs/dbraw/zinc/26/94/30/339269430.db2.gz SCEITVNWESUZPY-IUYQLWOBSA-N 1 0 320.433 3.632 20 5 DHBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000470009406 339308335 /nfs/dbraw/zinc/30/83/35/339308335.db2.gz PETQKSPCIHTQLG-GFCCVEGCSA-N 1 0 302.296 3.758 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000474057737 339399844 /nfs/dbraw/zinc/39/98/44/339399844.db2.gz PEVAXJGXJFEDPV-GFCCVEGCSA-N 1 0 312.360 3.941 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(Cc2ccccc2)CC1 ZINC000479416035 339533996 /nfs/dbraw/zinc/53/39/96/339533996.db2.gz HDDHJKZLSLEDPV-POHAHGRESA-N 1 0 308.381 3.973 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000479510002 339538546 /nfs/dbraw/zinc/53/85/46/339538546.db2.gz HQUCZGLLOFAECS-ZFWWWQNUSA-N 1 0 308.422 3.741 20 5 DHBDRO Cc1c(C[NH2+]C/C=C/c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000480455599 339573517 /nfs/dbraw/zinc/57/35/17/339573517.db2.gz MXCFTDLVGSTFES-ONEGZZNKSA-N 1 0 300.333 3.845 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000480483857 339574531 /nfs/dbraw/zinc/57/45/31/339574531.db2.gz YGJYVEFMTMIYTA-QGZVFWFLSA-N 1 0 318.417 3.875 20 5 DHBDRO COC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000480687152 339583269 /nfs/dbraw/zinc/58/32/69/339583269.db2.gz DZNBKIUDGQFYCF-HNNXBMFYSA-N 1 0 320.433 3.855 20 5 DHBDRO C[C@@H]([NH2+]CCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000481731647 339611699 /nfs/dbraw/zinc/61/16/99/339611699.db2.gz CKAGJZORKHFRAE-CYBMUJFWSA-N 1 0 318.348 3.854 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc3ccc(F)cc3[nH]2)c1 ZINC000486692240 339731539 /nfs/dbraw/zinc/73/15/39/339731539.db2.gz BOZHQGFBMUYUFC-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000489154049 339802561 /nfs/dbraw/zinc/80/25/61/339802561.db2.gz OPLVABOBZXHURL-WBVHZDCISA-N 1 0 317.433 3.524 20 5 DHBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000493898673 339936093 /nfs/dbraw/zinc/93/60/93/339936093.db2.gz XZJAPAKVLYIHPO-KSSFIOAISA-N 1 0 314.385 3.503 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCSC2)c2ccccc2)c1 ZINC000494036205 339939534 /nfs/dbraw/zinc/93/95/34/339939534.db2.gz BPQMZMVPAKYBCO-DOTOQJQBSA-N 1 0 314.410 3.779 20 5 DHBDRO CC(C)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000498933993 340026467 /nfs/dbraw/zinc/02/64/67/340026467.db2.gz PESPWADCWHKZBG-QGZVFWFLSA-N 1 0 317.364 3.658 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000503582678 340131729 /nfs/dbraw/zinc/13/17/29/340131729.db2.gz FEYXDHZJPIRLQU-CQSZACIVSA-N 1 0 300.333 3.723 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CSC ZINC000504905500 340155610 /nfs/dbraw/zinc/15/56/10/340155610.db2.gz JMAWOBLHGGCNHE-RYUDHWBXSA-N 1 0 314.476 3.807 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000162956025 340193869 /nfs/dbraw/zinc/19/38/69/340193869.db2.gz GZZYOHSDJGZNKE-XEZPLFJOSA-N 1 0 312.369 3.810 20 5 DHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000506960246 340204309 /nfs/dbraw/zinc/20/43/09/340204309.db2.gz AXTYBWNYULQLII-GUTXKFCHSA-N 1 0 321.396 3.576 20 5 DHBDRO CC[C@@H]1C[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000507793631 340231662 /nfs/dbraw/zinc/23/16/62/340231662.db2.gz HURPCPBVKZMFJD-RHSMWYFYSA-N 1 0 318.417 3.764 20 5 DHBDRO CC[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000509359856 340267259 /nfs/dbraw/zinc/26/72/59/340267259.db2.gz SZYOFLQNQIJWHS-JTQLQIEISA-N 1 0 302.321 3.674 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000510994216 340317390 /nfs/dbraw/zinc/31/73/90/340317390.db2.gz ALVMUYCVCIOKFF-QWHCGFSZSA-N 1 0 317.364 3.801 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)ccc1F ZINC000511060711 340319762 /nfs/dbraw/zinc/31/97/62/340319762.db2.gz VDUJUVBBKSTKCL-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000511353431 340325648 /nfs/dbraw/zinc/32/56/48/340325648.db2.gz ZDNPYYIHJXWKBP-LSDHHAIUSA-N 1 0 317.433 3.968 20 5 DHBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000511646391 340333679 /nfs/dbraw/zinc/33/36/79/340333679.db2.gz GRIYSBZKWASEAV-POHAHGRESA-N 1 0 308.381 3.707 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000511667952 340334602 /nfs/dbraw/zinc/33/46/02/340334602.db2.gz QNQBZYWJZWLLOI-OAHLLOKOSA-N 1 0 306.406 3.719 20 5 DHBDRO C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173422452 340364583 /nfs/dbraw/zinc/36/45/83/340364583.db2.gz RAYAIEHHMFUCFC-CJNGLKHVSA-N 1 0 307.438 3.612 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000512599417 340368431 /nfs/dbraw/zinc/36/84/31/340368431.db2.gz CNXRTHCXTOVRLA-LLVKDONJSA-N 1 0 320.776 3.675 20 5 DHBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512859759 340381141 /nfs/dbraw/zinc/38/11/41/340381141.db2.gz DXIZRUCLVDWHME-ABAIWWIYSA-N 1 0 318.398 3.696 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3ccc(F)cc32)cc1 ZINC000175000010 340401025 /nfs/dbraw/zinc/40/10/25/340401025.db2.gz XYNXXHBULOJMAF-QGZVFWFLSA-N 1 0 300.333 3.554 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000516736259 340454840 /nfs/dbraw/zinc/45/48/40/340454840.db2.gz AQUKPEUHONFIBH-OAHLLOKOSA-N 1 0 319.449 3.710 20 5 DHBDRO COCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000185226156 340498961 /nfs/dbraw/zinc/49/89/61/340498961.db2.gz KAECXXAOFDPRBL-UHFFFAOYSA-N 1 0 306.406 3.671 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000123441099 340780621 /nfs/dbraw/zinc/78/06/21/340780621.db2.gz ZNTNBODJJMYDCW-CQSZACIVSA-N 1 0 306.406 3.639 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(OC(C)C)CC1 ZINC000530341997 340788696 /nfs/dbraw/zinc/78/86/96/340788696.db2.gz WTFMMDMFJQPWIY-PTNGSMBKSA-N 1 0 318.417 3.888 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000539021485 340865574 /nfs/dbraw/zinc/86/55/74/340865574.db2.gz ZTHWHBMOBACTTA-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO COc1cc(C)ccc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000539053341 340868117 /nfs/dbraw/zinc/86/81/17/340868117.db2.gz VAGMJSIAQOKXPC-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccccc1O ZINC000543251263 341038425 /nfs/dbraw/zinc/03/84/25/341038425.db2.gz YWZVWEWRJPBTDN-CYBMUJFWSA-N 1 0 300.358 3.536 20 5 DHBDRO C[C@@H]([NH2+]CCCNc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000543417729 341043424 /nfs/dbraw/zinc/04/34/24/341043424.db2.gz YXDJIGIJHOXAQU-CYBMUJFWSA-N 1 0 317.364 3.887 20 5 DHBDRO C[C@H]1CCC[C@H](CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000543481238 341046724 /nfs/dbraw/zinc/04/67/24/341046724.db2.gz SHHUHDRNERMLNJ-UONOGXRCSA-N 1 0 303.406 3.564 20 5 DHBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000544185319 341073316 /nfs/dbraw/zinc/07/33/16/341073316.db2.gz ZTFGACNQUGYVOF-PXAZEXFGSA-N 1 0 316.357 3.512 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000131444169 341089034 /nfs/dbraw/zinc/08/90/34/341089034.db2.gz IGIYCVZQKICEEK-KSSFIOAISA-N 1 0 314.385 3.942 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000131444404 341089071 /nfs/dbraw/zinc/08/90/71/341089071.db2.gz IGIYCVZQKICEEK-RDTXWAMCSA-N 1 0 314.385 3.942 20 5 DHBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCOC1 ZINC000132042188 341115390 /nfs/dbraw/zinc/11/53/90/341115390.db2.gz HUSSTTLGHIQWPS-CQSZACIVSA-N 1 0 318.398 3.544 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000545235219 341116334 /nfs/dbraw/zinc/11/63/34/341116334.db2.gz KRGQBFJBNAPYTI-MORSLUCNSA-N 1 0 318.417 3.759 20 5 DHBDRO C[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000547739760 341229708 /nfs/dbraw/zinc/22/97/08/341229708.db2.gz SUHMZRYTTHXZIM-CYBMUJFWSA-N 1 0 302.349 3.670 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3C3CCCC3)nc2c1 ZINC000548508988 341264985 /nfs/dbraw/zinc/26/49/85/341264985.db2.gz QGSYOCCHTBUTOB-INIZCTEOSA-N 1 0 314.389 3.626 20 5 DHBDRO CCc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)nc1 ZINC000549366549 341292563 /nfs/dbraw/zinc/29/25/63/341292563.db2.gz NRIZXUXZYDNBAS-UHFFFAOYSA-N 1 0 313.401 3.963 20 5 DHBDRO CSC[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245542302 341300963 /nfs/dbraw/zinc/30/09/63/341300963.db2.gz LFLVONGAZCLSEM-KCQAQPDRSA-N 1 0 308.447 3.647 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1=Cc2ccccc2OC1 ZINC000549808083 341303654 /nfs/dbraw/zinc/30/36/54/341303654.db2.gz JDJZBJKTCSYTTE-UHFFFAOYSA-N 1 0 324.380 3.545 20 5 DHBDRO Cc1sccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000550198626 341312261 /nfs/dbraw/zinc/31/22/61/341312261.db2.gz BRFXDWNMXJEAJZ-UHFFFAOYSA-N 1 0 310.806 3.950 20 5 DHBDRO COC1(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCC1 ZINC000550239895 341313345 /nfs/dbraw/zinc/31/33/45/341313345.db2.gz ZZGVPUBDKJTWAU-SDNWHVSQSA-N 1 0 304.390 3.547 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)c2ccccc2)c1 ZINC000554097366 341444221 /nfs/dbraw/zinc/44/42/21/341444221.db2.gz YNOHPKMHRJQLOP-JYJNAYRXSA-N 1 0 318.323 3.927 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCc1cccs1 ZINC000565219239 341520495 /nfs/dbraw/zinc/52/04/95/341520495.db2.gz VWAYOYZHMUMSES-OAHLLOKOSA-N 1 0 302.399 3.866 20 5 DHBDRO CCC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000266649464 341587997 /nfs/dbraw/zinc/58/79/97/341587997.db2.gz XSWTUCWTECERJV-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000156936011 341629086 /nfs/dbraw/zinc/62/90/86/341629086.db2.gz BHXJLBDYBNYDPD-OAHLLOKOSA-N 1 0 314.385 3.771 20 5 DHBDRO Cc1ccc2ncc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)n2c1 ZINC000157461758 341638714 /nfs/dbraw/zinc/63/87/14/341638714.db2.gz ZONNDZQBHUFDBZ-UHFFFAOYSA-N 1 0 324.384 3.576 20 5 DHBDRO COc1cc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000573702350 341736488 /nfs/dbraw/zinc/73/64/88/341736488.db2.gz IHNUNXMFBXAVAH-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000192359568 341799679 /nfs/dbraw/zinc/79/96/79/341799679.db2.gz BUBVWQARCOOPSF-KRWDZBQOSA-N 1 0 312.369 3.510 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000336862975 341808561 /nfs/dbraw/zinc/80/85/61/341808561.db2.gz HEHBKUVUZGYRHJ-LXZKKBNFSA-N 1 0 306.406 3.577 20 5 DHBDRO CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000089512487 517513040 /nfs/dbraw/zinc/51/30/40/517513040.db2.gz LWWMQMIIQMDCNR-AWEZNQCLSA-N 1 0 300.358 3.991 20 5 DHBDRO CCCO[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266721542 520273809 /nfs/dbraw/zinc/27/38/09/520273809.db2.gz HOPOAESAKZLUNN-HUUCEWRRSA-N 1 0 306.406 3.937 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCSCC2)cc1[N+](=O)[O-] ZINC000180509510 521221926 /nfs/dbraw/zinc/22/19/26/521221926.db2.gz VDHGJMCZEYRQDY-LLVKDONJSA-N 1 0 310.419 3.540 20 5 DHBDRO CCc1nc(C)c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000123139381 522231421 /nfs/dbraw/zinc/23/14/21/522231421.db2.gz LWNCCOZPRAHTIX-NSHDSACASA-N 1 0 319.430 3.815 20 5 DHBDRO CC[C@@H]([NH2+]CCCO[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000338279845 522828243 /nfs/dbraw/zinc/82/82/43/522828243.db2.gz GTXPCZAOWYTQKL-IAGOWNOFSA-N 1 0 322.405 3.569 20 5 DHBDRO CC[C@@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000159225361 522870076 /nfs/dbraw/zinc/87/00/76/522870076.db2.gz XGQZYEAYFONEMH-IKGGRYGDSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@@H](C1CC1)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158023438 524320358 /nfs/dbraw/zinc/32/03/58/524320358.db2.gz CWGFRQJVROWAKN-NSHDSACASA-N 1 0 317.414 3.949 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000266753845 525381370 /nfs/dbraw/zinc/38/13/70/525381370.db2.gz DDYSXYZQQVLWED-MEDUHNTESA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@H]([NH2+]Cc1cnc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000337187783 525476562 /nfs/dbraw/zinc/47/65/62/525476562.db2.gz QJTXXGLJTVSNMG-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000124509719 525526368 /nfs/dbraw/zinc/52/63/68/525526368.db2.gz NIWVUKZRDNCMDE-PRXAMGSTSA-N 1 0 318.348 3.507 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(F)cc1 ZINC000124510172 525610913 /nfs/dbraw/zinc/61/09/13/525610913.db2.gz NIWVUKZRDNCMDE-JKDFXYPNSA-N 1 0 318.348 3.507 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000127230197 525685896 /nfs/dbraw/zinc/68/58/96/525685896.db2.gz IHGIZBKUUJSECT-HIFRSBDPSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000127309442 525686120 /nfs/dbraw/zinc/68/61/20/525686120.db2.gz NCVOVLSSOHUGJD-HIFRSBDPSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000130614148 526514434 /nfs/dbraw/zinc/51/44/34/526514434.db2.gz DIEJASUTKFAMPC-INIZCTEOSA-N 1 0 314.389 3.580 20 5 DHBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000289464740 535172175 /nfs/dbraw/zinc/17/21/75/535172175.db2.gz YNQCYSGZOPROHB-HNNXBMFYSA-N 1 0 320.414 3.506 20 5 DHBDRO COCC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000272133421 536809258 /nfs/dbraw/zinc/80/92/58/536809258.db2.gz XFASPAFUEBHKTD-CZUORRHYSA-N 1 0 318.373 3.925 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c(Cl)c1 ZINC000517736054 1013053271 /nfs/dbraw/zinc/05/32/71/1013053271.db2.gz FPRJVBYVXZNZBD-BBRMVZONSA-N 1 0 324.808 3.639 20 5 DHBDRO C[NH+](C)CC[C@H](Oc1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC001226007579 1013148785 /nfs/dbraw/zinc/14/87/85/1013148785.db2.gz QZNHZABVTFHLTD-ZDUSSCGKSA-N 1 0 324.377 3.867 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155127668 1013232684 /nfs/dbraw/zinc/23/26/84/1013232684.db2.gz AKRBPZGNDNHGJI-QWRGUYRKSA-N 1 0 303.362 3.654 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000361733876 1032073879 /nfs/dbraw/zinc/07/38/79/1032073879.db2.gz DHHLXYQTXIKCHI-SJORKVTESA-N 1 0 306.406 3.841 20 5 DHBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cccc(F)c1 ZINC000176984110 1013693627 /nfs/dbraw/zinc/69/36/27/1013693627.db2.gz SXQHGVYDKNOFKF-UHFFFAOYSA-N 1 0 315.304 3.507 20 5 DHBDRO CC(C)(C)CC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001167326541 1013884741 /nfs/dbraw/zinc/88/47/41/1013884741.db2.gz MBFDHTNANCGLPQ-UHFFFAOYSA-N 1 0 321.421 3.728 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC001168963152 1022200438 /nfs/dbraw/zinc/20/04/38/1022200438.db2.gz NVCWEAZXBYRWBA-ZANVPECISA-N 1 0 303.189 3.528 20 5 DHBDRO CC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083198531 1013992868 /nfs/dbraw/zinc/99/28/68/1013992868.db2.gz CPHOHQJSXOUOGW-GFCCVEGCSA-N 1 0 303.362 3.748 20 5 DHBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083211617 1014001810 /nfs/dbraw/zinc/00/18/10/1014001810.db2.gz DAQCJAZQPZROGH-NWDGAFQWSA-N 1 0 303.362 3.747 20 5 DHBDRO Cc1cccc(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000580068745 1014012639 /nfs/dbraw/zinc/01/26/39/1014012639.db2.gz TWPLZWWJXPGMCI-UHFFFAOYSA-N 1 0 311.385 3.505 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000441490068 1014259739 /nfs/dbraw/zinc/25/97/39/1014259739.db2.gz VOVNKAVASXRXKV-GOSISDBHSA-N 1 0 318.417 3.561 20 5 DHBDRO CC(C)c1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000348667448 1014885962 /nfs/dbraw/zinc/88/59/62/1014885962.db2.gz CUMYAKBVUCLROR-UHFFFAOYSA-N 1 0 319.430 3.849 20 5 DHBDRO CCC[C@H]([NH2+]CCc1ccncc1C)c1cccc([N+](=O)[O-])c1 ZINC000090846594 1015094969 /nfs/dbraw/zinc/09/49/69/1015094969.db2.gz DRHWAZITFZHQFW-SFHVURJKSA-N 1 0 313.401 3.972 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2COc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000178110429 1015237240 /nfs/dbraw/zinc/23/72/40/1015237240.db2.gz AQPYZQFYUHJVEX-ZFWWWQNUSA-N 1 0 312.369 3.558 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000129661561 1015252459 /nfs/dbraw/zinc/25/24/59/1015252459.db2.gz ZTSCYKNHEGEGPD-UHFFFAOYSA-N 1 0 320.433 3.967 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 ZINC000090910140 1015298047 /nfs/dbraw/zinc/29/80/47/1015298047.db2.gz JFWTXWCUJSKQPE-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)c(F)c(F)c1 ZINC000090910138 1015302161 /nfs/dbraw/zinc/30/21/61/1015302161.db2.gz SGUAVLBWWCUQHK-SNVBAGLBSA-N 1 0 324.302 3.905 20 5 DHBDRO CSC1CCC(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000896253690 1015520865 /nfs/dbraw/zinc/52/08/65/1015520865.db2.gz DAHCEXQZBCFMQI-UHFFFAOYSA-N 1 0 308.447 3.649 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000185566142 1015592827 /nfs/dbraw/zinc/59/28/27/1015592827.db2.gz AAEMPXZNSSCBPT-INIZCTEOSA-N 1 0 304.321 3.680 20 5 DHBDRO CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000474814295 1015615881 /nfs/dbraw/zinc/61/58/81/1015615881.db2.gz UMHCKXQDKOLHEZ-CWRNSKLLSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581721 1015633229 /nfs/dbraw/zinc/63/32/29/1015633229.db2.gz FRWHYOIVWHMZJY-TYNCELHUSA-N 1 0 315.373 3.889 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000477861450 1015716675 /nfs/dbraw/zinc/71/66/75/1015716675.db2.gz NJWAWSWVHHYWHD-KDOFPFPSSA-N 1 0 320.433 3.885 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)C1CCCCC1)C1CC1 ZINC000474969258 1015734588 /nfs/dbraw/zinc/73/45/88/1015734588.db2.gz BKHWICXEQBRWEC-GOSISDBHSA-N 1 0 318.417 3.500 20 5 DHBDRO Cc1ccc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000610717388 1015741223 /nfs/dbraw/zinc/74/12/23/1015741223.db2.gz CYZLRLZKBYNSKH-INIZCTEOSA-N 1 0 306.406 3.588 20 5 DHBDRO Cc1ccc([C@H](C)NCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610799333 1015844651 /nfs/dbraw/zinc/84/46/51/1015844651.db2.gz SICKPKWTOCKBQG-LZWOXQAQSA-N 1 0 319.449 3.532 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2c1cccc2C ZINC000610810539 1015848997 /nfs/dbraw/zinc/84/89/97/1015848997.db2.gz IERSWVBPOZKOBO-QGZVFWFLSA-N 1 0 312.369 3.689 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000610811066 1015853109 /nfs/dbraw/zinc/85/31/09/1015853109.db2.gz IBPHUIOSVXTSGY-OAHLLOKOSA-N 1 0 318.760 3.514 20 5 DHBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000538126635 1015884530 /nfs/dbraw/zinc/88/45/30/1015884530.db2.gz NJAZWWRTBSTWMY-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 ZINC000294725396 1032132038 /nfs/dbraw/zinc/13/20/38/1032132038.db2.gz FVAZDMHOVYIORX-UHFFFAOYSA-N 1 0 319.792 3.711 20 5 DHBDRO C[C@H](c1ccccc1F)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065535208 1016214840 /nfs/dbraw/zinc/21/48/40/1016214840.db2.gz UGIXQMRNGHUCIE-CYBMUJFWSA-N 1 0 318.348 3.806 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000281892560 1016781049 /nfs/dbraw/zinc/78/10/49/1016781049.db2.gz HDGWGEOIQLTMHG-UHFFFAOYSA-N 1 0 314.332 3.517 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000896950607 1016954290 /nfs/dbraw/zinc/95/42/90/1016954290.db2.gz DOZWYOFLMLRGBY-SKDRFNHKSA-N 1 0 300.811 3.622 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000362190310 1032267693 /nfs/dbraw/zinc/26/76/93/1032267693.db2.gz LPHUUJBJZBXHEI-PXAZEXFGSA-N 1 0 322.380 3.755 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C(C)(C)O1 ZINC000773038691 1032535848 /nfs/dbraw/zinc/53/58/48/1032535848.db2.gz BHOGEWMSRQBCTN-CYBMUJFWSA-N 1 0 312.797 3.684 20 5 DHBDRO CC1(C)CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000773148516 1032577339 /nfs/dbraw/zinc/57/73/39/1032577339.db2.gz XTCCKGXASQSLNF-OAHLLOKOSA-N 1 0 317.433 3.732 20 5 DHBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000424303587 1011987375 /nfs/dbraw/zinc/98/73/75/1011987375.db2.gz OINMRNFBPTZPNW-CMZRPVNOSA-N 1 0 318.417 3.757 20 5 DHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430201166 1012327211 /nfs/dbraw/zinc/32/72/11/1012327211.db2.gz JPMADDVDMWXRFV-GDBMZVCRSA-N 1 0 324.446 3.757 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000537659814 1032618726 /nfs/dbraw/zinc/61/87/26/1032618726.db2.gz NGIOIRYPDBIVDG-INIZCTEOSA-N 1 0 308.422 3.557 20 5 DHBDRO C[N@H+](CCOc1ccccc1Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000610226040 1012495171 /nfs/dbraw/zinc/49/51/71/1012495171.db2.gz PSKMVIYERDIQQE-UHFFFAOYSA-N 1 0 320.776 3.759 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000515096549 1012557595 /nfs/dbraw/zinc/55/75/95/1012557595.db2.gz NSCWIVYEDKMSFP-UVQBRAAOSA-N 1 0 319.449 3.708 20 5 DHBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000516919497 1012864280 /nfs/dbraw/zinc/86/42/80/1012864280.db2.gz KZDDAAQNMDEDJH-CYBMUJFWSA-N 1 0 309.410 3.526 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CCO)CC(C)C)cccc1[N+](=O)[O-] ZINC000154650917 1012889891 /nfs/dbraw/zinc/88/98/91/1012889891.db2.gz KNJYVIXQEFNXHE-GJZGRUSLSA-N 1 0 308.422 3.599 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCOC1CCCC1 ZINC000517173189 1012923078 /nfs/dbraw/zinc/92/30/78/1012923078.db2.gz RGLUOMVYZDGKFJ-INIZCTEOSA-N 1 0 304.390 3.521 20 5 DHBDRO CCC[C@@H]([NH2+]CCN(CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336862841 1013012428 /nfs/dbraw/zinc/01/24/28/1013012428.db2.gz LWEKHDOWEGVKQV-QGZVFWFLSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000475283515 1017114632 /nfs/dbraw/zinc/11/46/32/1017114632.db2.gz IMBLXHJDVCOFMQ-DMBZQDCGSA-N 1 0 314.307 3.881 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178656181 1017561461 /nfs/dbraw/zinc/56/14/61/1017561461.db2.gz GXPVBDPEAOHRJY-UONOGXRCSA-N 1 0 300.358 3.713 20 5 DHBDRO CC(C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000444592987 1017581470 /nfs/dbraw/zinc/58/14/70/1017581470.db2.gz FDZCNTDRYXZMIU-UHFFFAOYSA-N 1 0 316.405 3.872 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](CC(F)(F)F)C1 ZINC000444697493 1017638756 /nfs/dbraw/zinc/63/87/56/1017638756.db2.gz KRDLEXTUEKNWCI-SECBINFHSA-N 1 0 306.259 3.508 20 5 DHBDRO Cc1cc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000444746811 1017659503 /nfs/dbraw/zinc/65/95/03/1017659503.db2.gz WJTZHXSOTQIUHB-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO CCOc1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000523702277 1017766752 /nfs/dbraw/zinc/76/67/52/1017766752.db2.gz NJRITSIVFWCCBC-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3cccnc31)CC2 ZINC000088605336 1017779784 /nfs/dbraw/zinc/77/97/84/1017779784.db2.gz AQFQMHFTOQVSPZ-UHFFFAOYSA-N 1 0 319.364 3.701 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2nccs2)cc1[N+](=O)[O-] ZINC000358037108 1017788854 /nfs/dbraw/zinc/78/88/54/1017788854.db2.gz MJQWLILLFSKQDE-GFCCVEGCSA-N 1 0 305.403 3.643 20 5 DHBDRO C[N@H+](CCc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523839912 1017809565 /nfs/dbraw/zinc/80/95/65/1017809565.db2.gz DANROFBTFLZPOT-UHFFFAOYSA-N 1 0 304.777 3.923 20 5 DHBDRO CCC[C@H]([NH2+][C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000268880119 1017816986 /nfs/dbraw/zinc/81/69/86/1017816986.db2.gz HTQDGYHXDIJKTD-ZWKOTPCHSA-N 1 0 314.385 3.759 20 5 DHBDRO C[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000171051353 1017841334 /nfs/dbraw/zinc/84/13/34/1017841334.db2.gz IAYGPPJKWWVFAY-ZDUSSCGKSA-N 1 0 310.353 3.721 20 5 DHBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CCC1 ZINC000445597813 1017926543 /nfs/dbraw/zinc/92/65/43/1017926543.db2.gz WCJYGILFRKXAQH-UHFFFAOYSA-N 1 0 321.421 3.668 20 5 DHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000445895108 1018001256 /nfs/dbraw/zinc/00/12/56/1018001256.db2.gz SGZUYNSUZIZRIH-ZDUSSCGKSA-N 1 0 320.311 3.540 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000245528568 1018209736 /nfs/dbraw/zinc/20/97/36/1018209736.db2.gz QSVNWUIPYKGSOI-ZIAGYGMSSA-N 1 0 314.389 3.567 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC3CCCCCC3)nc2c1 ZINC000446831282 1018261535 /nfs/dbraw/zinc/26/15/35/1018261535.db2.gz CHVSVOWQAUJHTH-UHFFFAOYSA-N 1 0 302.378 3.531 20 5 DHBDRO C[C@@H](CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000446846183 1018271532 /nfs/dbraw/zinc/27/15/32/1018271532.db2.gz WKXSNIRRRMKYCO-ZDUSSCGKSA-N 1 0 324.384 3.755 20 5 DHBDRO CC(C)(C)c1cnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000447942554 1032760400 /nfs/dbraw/zinc/76/04/00/1032760400.db2.gz HYJXUNQBBOMOQI-UHFFFAOYSA-N 1 0 319.430 3.681 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOc1ccccc1)CCC2 ZINC000447513767 1018407528 /nfs/dbraw/zinc/40/75/28/1018407528.db2.gz YUPPBSHELFLWTG-SFHVURJKSA-N 1 0 312.369 3.641 20 5 DHBDRO Cc1nn(C[N@@H+](CCC(C)C)C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764880778 1018416342 /nfs/dbraw/zinc/41/63/42/1018416342.db2.gz YRSGOHOJXBOLBW-UHFFFAOYSA-N 1 0 316.405 3.721 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000526007965 1018429215 /nfs/dbraw/zinc/42/92/15/1018429215.db2.gz MYCOZEKCRKHVNC-HNNXBMFYSA-N 1 0 300.333 3.723 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000447595998 1018434255 /nfs/dbraw/zinc/43/42/55/1018434255.db2.gz BFLRXYTULWFHBZ-WMLDXEAASA-N 1 0 317.433 3.571 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000447597789 1018434700 /nfs/dbraw/zinc/43/47/00/1018434700.db2.gz GWLUDHUJLCWMJY-RNCFNFMXSA-N 1 0 302.296 3.760 20 5 DHBDRO CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765313937 1018752425 /nfs/dbraw/zinc/75/24/25/1018752425.db2.gz WYLXRGWVXVEUHR-KBPBESRZSA-N 1 0 305.422 3.588 20 5 DHBDRO CS[C@@H]1CCCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000708322059 1018842653 /nfs/dbraw/zinc/84/26/53/1018842653.db2.gz XNHXNVGQITWYGY-GFCCVEGCSA-N 1 0 314.838 3.966 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000765521427 1018860592 /nfs/dbraw/zinc/86/05/92/1018860592.db2.gz YXVSXZWAMGVHCE-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO C[C@H](O)CC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093481439 1032791852 /nfs/dbraw/zinc/79/18/52/1032791852.db2.gz NBEQJGRYLIJHSY-LBPRGKRZSA-N 1 0 320.414 3.526 20 5 DHBDRO CCOc1cc(NC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000080767831 1019115000 /nfs/dbraw/zinc/11/50/00/1019115000.db2.gz KPPIHVAALISXGM-UHFFFAOYSA-N 1 0 321.421 3.526 20 5 DHBDRO Cc1c(F)cc([N+](=O)[O-])cc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168556047 1019132393 /nfs/dbraw/zinc/13/23/93/1019132393.db2.gz XCBYOWOYVXYHKY-GFCCVEGCSA-N 1 0 315.348 3.626 20 5 DHBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1cccs1 ZINC000255154855 1019323266 /nfs/dbraw/zinc/32/32/66/1019323266.db2.gz WQMDCMKRAUYPFV-DAXSKMNVSA-N 1 0 302.399 3.844 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)CO2 ZINC000090452302 1019389406 /nfs/dbraw/zinc/38/94/06/1019389406.db2.gz WTWCEWAFJNUOFI-BBRMVZONSA-N 1 0 312.369 3.996 20 5 DHBDRO Cc1occc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611080818 1019395742 /nfs/dbraw/zinc/39/57/42/1019395742.db2.gz HBYCGMSRMWOPAH-RHSMWYFYSA-N 1 0 314.385 3.997 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000611268526 1019428727 /nfs/dbraw/zinc/42/87/27/1019428727.db2.gz CRUHQIBYAUXOPQ-ZDUSSCGKSA-N 1 0 312.316 3.571 20 5 DHBDRO CCC1(O)CCC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000611327456 1019445965 /nfs/dbraw/zinc/44/59/65/1019445965.db2.gz DJEGCBOVQCXPPU-MXWWQKGMSA-N 1 0 320.433 3.589 20 5 DHBDRO Cc1cc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000611335699 1019447962 /nfs/dbraw/zinc/44/79/62/1019447962.db2.gz LRSHCNQJDDZCAD-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO COc1cc(C[N@H+](C2CC2)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000611515372 1019507027 /nfs/dbraw/zinc/50/70/27/1019507027.db2.gz UWQBKLVOASOSAX-UHFFFAOYSA-N 1 0 304.390 3.901 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000611509695 1019508022 /nfs/dbraw/zinc/50/80/22/1019508022.db2.gz FOHRZCDVJDHIDK-KGLIPLIRSA-N 1 0 323.462 3.747 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000611509697 1019509000 /nfs/dbraw/zinc/50/90/00/1019509000.db2.gz FOHRZCDVJDHIDK-ZIAGYGMSSA-N 1 0 323.462 3.747 20 5 DHBDRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000611555203 1019517265 /nfs/dbraw/zinc/51/72/65/1019517265.db2.gz RHLRQKLAKOXVGL-CMPLNLGQSA-N 1 0 302.296 3.758 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000255831130 1019604858 /nfs/dbraw/zinc/60/48/58/1019604858.db2.gz NLWRKZBQAGOLPL-XOWYPZSQSA-N 1 0 323.396 3.794 20 5 DHBDRO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000727436971 1019705467 /nfs/dbraw/zinc/70/54/67/1019705467.db2.gz ASEOBUIFMAKDCJ-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000068838323 1019930831 /nfs/dbraw/zinc/93/08/31/1019930831.db2.gz IAFKHACZGZDTTB-INIZCTEOSA-N 1 0 315.373 3.827 20 5 DHBDRO CC[C@H]([NH2+]CC1(N(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000317108138 1019957383 /nfs/dbraw/zinc/95/73/83/1019957383.db2.gz KTGLDUZSFJBIDW-INIZCTEOSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC000922317217 1019998572 /nfs/dbraw/zinc/99/85/72/1019998572.db2.gz WLDLJEHXGCPCPR-CYBMUJFWSA-N 1 0 312.369 3.516 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000611983895 1020032133 /nfs/dbraw/zinc/03/21/33/1020032133.db2.gz UJDNRNUTTQJMRC-MAVJXHJTSA-N 1 0 323.396 3.568 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccccn2)C2CC2)ccc1Cl ZINC000922585138 1020144569 /nfs/dbraw/zinc/14/45/69/1020144569.db2.gz IQHLONPUGFBWPU-INIZCTEOSA-N 1 0 317.776 3.884 20 5 DHBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1cccs1 ZINC000093685360 1020167775 /nfs/dbraw/zinc/16/77/75/1020167775.db2.gz WQMDCMKRAUYPFV-QPJJXVBHSA-N 1 0 302.399 3.844 20 5 DHBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000766006472 1020340713 /nfs/dbraw/zinc/34/07/13/1020340713.db2.gz LANOPHMMPXBOEU-OLZOCXBDSA-N 1 0 321.421 3.584 20 5 DHBDRO CNC(=O)CC[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC000179410574 1020344139 /nfs/dbraw/zinc/34/41/39/1020344139.db2.gz PSVWVICDKCUCOP-UHFFFAOYSA-N 1 0 306.409 3.561 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926950915 1032898620 /nfs/dbraw/zinc/89/86/20/1032898620.db2.gz WQVZXDWTPLXSNZ-CYZMBNFOSA-N 1 0 302.296 3.834 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000480618839 1020470950 /nfs/dbraw/zinc/47/09/50/1020470950.db2.gz WSTULPYHHKXJJA-PMPSAXMXSA-N 1 0 319.449 3.817 20 5 DHBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000179863513 1020529588 /nfs/dbraw/zinc/52/95/88/1020529588.db2.gz RSJSXNXUBUHEDP-GFCCVEGCSA-N 1 0 318.398 3.544 20 5 DHBDRO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000153722380 1020556656 /nfs/dbraw/zinc/55/66/56/1020556656.db2.gz RIKVHLGLHPLCEV-GOEBONIOSA-N 1 0 317.433 3.571 20 5 DHBDRO Cc1ccnc(NCCCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000734479686 1020612652 /nfs/dbraw/zinc/61/26/52/1020612652.db2.gz WQRFWSOVMPEPFW-UHFFFAOYSA-N 1 0 320.437 3.756 20 5 DHBDRO C[NH+](C)CC(C)(C)CNc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001168769639 1020675511 /nfs/dbraw/zinc/67/55/11/1020675511.db2.gz UISSAZLTRMCTKX-UHFFFAOYSA-N 1 0 301.390 3.748 20 5 DHBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000738237707 1020868313 /nfs/dbraw/zinc/86/83/13/1020868313.db2.gz BHJKLNWYGXAVHP-CQSZACIVSA-N 1 0 308.426 3.514 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000740017842 1020927164 /nfs/dbraw/zinc/92/71/64/1020927164.db2.gz CMBBZBVDBRZOBR-DLBZAZTESA-N 1 0 320.433 3.833 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000174024135 1020952009 /nfs/dbraw/zinc/95/20/09/1020952009.db2.gz ILZAZTBQXCEBNT-QGZVFWFLSA-N 1 0 316.405 3.576 20 5 DHBDRO COCC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414207318 1020996599 /nfs/dbraw/zinc/99/65/99/1020996599.db2.gz QRYBHRZRQPHTEG-UXLLHSPISA-N 1 0 320.433 3.568 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218184501 1021019333 /nfs/dbraw/zinc/01/93/33/1021019333.db2.gz JVGLYSVKKUSJQE-BRPSZJMVSA-N 1 0 317.172 3.563 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C2(OC)CCC2)cc1[N+](=O)[O-] ZINC000414292944 1021067165 /nfs/dbraw/zinc/06/71/65/1021067165.db2.gz BFXNLLDEUMPLGH-QWHCGFSZSA-N 1 0 322.405 3.602 20 5 DHBDRO CCC(CC)C[N@H+](CC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917454584 1021268361 /nfs/dbraw/zinc/26/83/61/1021268361.db2.gz UHJFHOWCCLASSS-UHFFFAOYSA-N 1 0 304.394 3.660 20 5 DHBDRO CCC[C@]1(C)CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000743404197 1021282980 /nfs/dbraw/zinc/28/29/80/1021282980.db2.gz MLSNGQQZZCSZPM-QGZVFWFLSA-N 1 0 316.405 3.804 20 5 DHBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000189101570 1021330004 /nfs/dbraw/zinc/33/00/04/1021330004.db2.gz QYRBJTYONBMRBQ-RYUDHWBXSA-N 1 0 320.414 3.836 20 5 DHBDRO COC1(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCC1 ZINC000338924002 1021349959 /nfs/dbraw/zinc/34/99/59/1021349959.db2.gz FQSNHGNCLOUAIS-UHFFFAOYSA-N 1 0 306.406 3.764 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CO)CCCCC1)CCC2 ZINC000618571896 1021435718 /nfs/dbraw/zinc/43/57/18/1021435718.db2.gz MABATQXKBGIPHX-QGZVFWFLSA-N 1 0 318.417 3.505 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850350139 1021481866 /nfs/dbraw/zinc/48/18/66/1021481866.db2.gz OMASHQFDDXMWPT-AWEZNQCLSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCO2 ZINC000850442588 1021537575 /nfs/dbraw/zinc/53/75/75/1021537575.db2.gz NAHGJXOOJWCWEB-CYBMUJFWSA-N 1 0 312.369 3.771 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000609287618 1021675111 /nfs/dbraw/zinc/67/51/11/1021675111.db2.gz DQVPZDAERMKJOA-JSGCOSHPSA-N 1 0 306.406 3.908 20 5 DHBDRO CCC(CC)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000538153612 1032998487 /nfs/dbraw/zinc/99/84/87/1032998487.db2.gz XNCMTGHZSRUGCN-KRWDZBQOSA-N 1 0 316.405 3.558 20 5 DHBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000925466245 1021799429 /nfs/dbraw/zinc/79/94/29/1021799429.db2.gz LHOMOPRRFQFZFR-LBPRGKRZSA-N 1 0 305.403 3.725 20 5 DHBDRO CC[N@@H+](Cc1ccc(C)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746029416 1021830108 /nfs/dbraw/zinc/83/01/08/1021830108.db2.gz RQMHTDSAPKHQJI-UHFFFAOYSA-N 1 0 324.384 3.733 20 5 DHBDRO C[NH2+]CCNc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001167721491 1021841837 /nfs/dbraw/zinc/84/18/37/1021841837.db2.gz BCMHJDRFXUOECV-UHFFFAOYSA-N 1 0 302.381 3.568 20 5 DHBDRO COc1cccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1F ZINC000619715443 1021846314 /nfs/dbraw/zinc/84/63/14/1021846314.db2.gz FOZKGTTXJVIQMK-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO CC(C)c1ccc(CNCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000517543018 1021847314 /nfs/dbraw/zinc/84/73/14/1021847314.db2.gz WQQXCGRFLYNGCU-UHFFFAOYSA-N 1 0 321.465 3.927 20 5 DHBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000130688787 1021939327 /nfs/dbraw/zinc/93/93/27/1021939327.db2.gz WSCJJCXNMFEWSL-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000893146422 1022012851 /nfs/dbraw/zinc/01/28/51/1022012851.db2.gz KJZRGOYHHVAFBU-UHFFFAOYSA-N 1 0 318.760 3.568 20 5 DHBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290484686 1022052084 /nfs/dbraw/zinc/05/20/84/1022052084.db2.gz OFOQPIUZDNWMPM-OAHLLOKOSA-N 1 0 314.389 3.580 20 5 DHBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586619 1022109253 /nfs/dbraw/zinc/10/92/53/1022109253.db2.gz OMHZFPPPJFRZLW-XKQJLSEDSA-N 1 0 306.406 3.529 20 5 DHBDRO [NH3+]CCN(c1cccnc1)c1nc2ccccc2c2ccccc21 ZINC001168837952 1022148178 /nfs/dbraw/zinc/14/81/78/1022148178.db2.gz DBTNUMMAIFYIBA-UHFFFAOYSA-N 1 0 314.392 3.880 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C/C(=C/F)CCc2ccc(F)cc2)C1 ZINC001168980636 1022198086 /nfs/dbraw/zinc/19/80/86/1022198086.db2.gz FDNSZEFTOILCFA-QIXNYHOWSA-N 1 0 324.371 3.647 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC001168976779 1022198240 /nfs/dbraw/zinc/19/82/40/1022198240.db2.gz GLHGACRUOGDKIV-FZMZJTMJSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(F)c2)C2CCC2)C1 ZINC001168984311 1022199640 /nfs/dbraw/zinc/19/96/40/1022199640.db2.gz LTRBFKCBZVEVBT-OAUYIBNBSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)C1 ZINC001168967485 1022203624 /nfs/dbraw/zinc/20/36/24/1022203624.db2.gz QCQGEPCJLPSRDO-CMPLNLGQSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCCCC2)C1 ZINC001168966108 1022203745 /nfs/dbraw/zinc/20/37/45/1022203745.db2.gz GKGYFMQVMHKVKH-SJLPKXTDSA-N 1 0 316.445 3.924 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001168967157 1022204120 /nfs/dbraw/zinc/20/41/20/1022204120.db2.gz NTOTVZUHONCDQO-SXROFAGNSA-N 1 0 306.450 3.626 20 5 DHBDRO CC(C)(Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966816 1022204315 /nfs/dbraw/zinc/20/43/15/1022204315.db2.gz LHMPDJMALWACIG-DZGCQCFKSA-N 1 0 310.825 3.696 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2F)C1 ZINC001168997525 1022210425 /nfs/dbraw/zinc/21/04/25/1022210425.db2.gz CWEUXLAKEGBXHM-CKEIUWERSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC001169006958 1022211923 /nfs/dbraw/zinc/21/19/23/1022211923.db2.gz ZVOLYMQKBSXPGV-KBAYOESNSA-N 1 0 302.418 3.953 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC001169006959 1022212992 /nfs/dbraw/zinc/21/29/92/1022212992.db2.gz ZVOLYMQKBSXPGV-NJAFHUGGSA-N 1 0 302.418 3.953 20 5 DHBDRO Cc1cc(C)cc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169046718 1022229566 /nfs/dbraw/zinc/22/95/66/1022229566.db2.gz MGEKNWYCNNRAKY-SZMVWBNQSA-N 1 0 302.418 3.886 20 5 DHBDRO COc1ccc(C[NH2+]C(C2CCC2)C2CCC2)cc1[N+](=O)[O-] ZINC000324788635 1022232970 /nfs/dbraw/zinc/23/29/70/1022232970.db2.gz KYMRZVCKFYGNTD-UHFFFAOYSA-N 1 0 304.390 3.662 20 5 DHBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853411553 1022271828 /nfs/dbraw/zinc/27/18/28/1022271828.db2.gz MXFYPFVWIBVPKB-RYUDHWBXSA-N 1 0 313.348 3.817 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000609705136 1022336071 /nfs/dbraw/zinc/33/60/71/1022336071.db2.gz SZUQTMUUNFZTJQ-GFCCVEGCSA-N 1 0 306.749 3.831 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278826263 1022387886 /nfs/dbraw/zinc/38/78/86/1022387886.db2.gz QBENAVOSWZJHQO-MNOVXSKESA-N 1 0 302.296 3.930 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278826271 1022388972 /nfs/dbraw/zinc/38/89/72/1022388972.db2.gz QBENAVOSWZJHQO-WDEREUQCSA-N 1 0 302.296 3.930 20 5 DHBDRO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000080468499 1022433493 /nfs/dbraw/zinc/43/34/93/1022433493.db2.gz SRIHKYUOONKRKE-XJKSGUPXSA-N 1 0 307.438 3.612 20 5 DHBDRO COc1ccc(C2([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000538393361 1033050808 /nfs/dbraw/zinc/05/08/08/1033050808.db2.gz ZKPNXERDBPHYMM-XQRVVYSFSA-N 1 0 324.380 3.896 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)c1ccncc1 ZINC000615723939 1022546333 /nfs/dbraw/zinc/54/63/33/1022546333.db2.gz CZOZXZVPWKJPCT-BAAYTWLHSA-N 1 0 311.385 3.786 20 5 DHBDRO Cc1ccc2c(CC[NH2+]Cc3csc([N+](=O)[O-])c3)c[nH]c2c1 ZINC000237886456 1022585840 /nfs/dbraw/zinc/58/58/40/1022585840.db2.gz BLYVKXHXUDAESK-UHFFFAOYSA-N 1 0 315.398 3.778 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO[C@H]1C1CC1 ZINC000767195740 1022660573 /nfs/dbraw/zinc/66/05/73/1022660573.db2.gz QKNRIEDHBUCLGJ-HOTGVXAUSA-N 1 0 324.808 3.543 20 5 DHBDRO CC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000417311075 1022678426 /nfs/dbraw/zinc/67/84/26/1022678426.db2.gz NMQIQPKRDGVPMZ-QGZVFWFLSA-N 1 0 318.417 3.769 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC12CC2 ZINC000417330103 1022688082 /nfs/dbraw/zinc/68/80/82/1022688082.db2.gz AGHUXUXDTJYWKO-CWRNSKLLSA-N 1 0 300.402 3.696 20 5 DHBDRO C[C@@H](CCCCO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417354137 1022699894 /nfs/dbraw/zinc/69/98/94/1022699894.db2.gz YXKYJYSAHKAFAL-GUYCJALGSA-N 1 0 306.406 3.503 20 5 DHBDRO COCC[C@H](C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417379461 1022714139 /nfs/dbraw/zinc/71/41/39/1022714139.db2.gz UORQAPOABZVRMN-GUYCJALGSA-N 1 0 306.406 3.625 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856806155 1022874191 /nfs/dbraw/zinc/87/41/91/1022874191.db2.gz BAHNHJKZOXSJTE-PYEVWLCESA-N 1 0 315.200 3.782 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc3c(c2)COC3)C2CC2)c1 ZINC000768333601 1022948092 /nfs/dbraw/zinc/94/80/92/1022948092.db2.gz GUHFZIMWLWZPTB-UHFFFAOYSA-N 1 0 324.380 3.790 20 5 DHBDRO COCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290773497 1022981399 /nfs/dbraw/zinc/98/13/99/1022981399.db2.gz BMCAGMDKLSCHNV-UHFFFAOYSA-N 1 0 321.204 3.808 20 5 DHBDRO COc1cc(C)c([N+](=O)[O-])cc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167753271 1023044186 /nfs/dbraw/zinc/04/41/86/1023044186.db2.gz NGOLJBOWUYQXFF-CQSZACIVSA-N 1 0 321.421 3.588 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(NCCC[N@H+]2CCCC[C@H]2C)c1F ZINC001167753089 1023044926 /nfs/dbraw/zinc/04/49/26/1023044926.db2.gz CFLVRCXPROSSKP-CYBMUJFWSA-N 1 0 309.385 3.719 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181406787 1023082971 /nfs/dbraw/zinc/08/29/71/1023082971.db2.gz PNAOUDFMVRJIEE-ROUUACIJSA-N 1 0 314.385 3.678 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccc(F)cc1 ZINC000108816129 1023591372 /nfs/dbraw/zinc/59/13/72/1023591372.db2.gz WJKKIRNSXDCKMP-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCSC(F)(F)F)cc1[N+](=O)[O-] ZINC000178418255 1023595062 /nfs/dbraw/zinc/59/50/62/1023595062.db2.gz NDWUMOQDGPTYAY-SECBINFHSA-N 1 0 308.325 3.807 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(Cl)nc1 ZINC000786812662 1023730959 /nfs/dbraw/zinc/73/09/59/1023730959.db2.gz RUPFCJLVHVQRAG-KPKJPENVSA-N 1 0 317.776 3.836 20 5 DHBDRO CCC[C@@H]([NH2+]CC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000692849858 1023891226 /nfs/dbraw/zinc/89/12/26/1023891226.db2.gz FMBMARSNGURHOS-CYBMUJFWSA-N 1 0 312.460 3.832 20 5 DHBDRO C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499021 1023895447 /nfs/dbraw/zinc/89/54/47/1023895447.db2.gz RIBIYQIGLJCRIY-ZIAGYGMSSA-N 1 0 313.401 3.849 20 5 DHBDRO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788570168 1023909089 /nfs/dbraw/zinc/90/90/89/1023909089.db2.gz ICJOSFYOCMADPS-UONOGXRCSA-N 1 0 313.401 3.767 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](C)Cc1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788613204 1023914542 /nfs/dbraw/zinc/91/45/42/1023914542.db2.gz OLPWUTSOQJKGDN-NWDGAFQWSA-N 1 0 319.430 3.768 20 5 DHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788627103 1023916676 /nfs/dbraw/zinc/91/66/76/1023916676.db2.gz LWMMVXWFNMPIJO-DJSGYFEHSA-N 1 0 323.462 3.892 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C)c2)c([N+](=O)[O-])cc1F ZINC000452088397 1023972033 /nfs/dbraw/zinc/97/20/33/1023972033.db2.gz OUWLCEULPXBAIA-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO COC[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000452110148 1023981246 /nfs/dbraw/zinc/98/12/46/1023981246.db2.gz YEJKFAHURGCQDG-GJZGRUSLSA-N 1 0 306.406 3.713 20 5 DHBDRO CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000789751781 1024162914 /nfs/dbraw/zinc/16/29/14/1024162914.db2.gz HBESSSYMCHBZGL-UHFFFAOYSA-N 1 0 300.811 3.624 20 5 DHBDRO CC[C@H](NC1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268995748 1024214364 /nfs/dbraw/zinc/21/43/64/1024214364.db2.gz KMMLKWZGTBKBEY-SFHVURJKSA-N 1 0 317.433 3.652 20 5 DHBDRO Cc1ccc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000531685380 1024272637 /nfs/dbraw/zinc/27/26/37/1024272637.db2.gz ZJIQEZPUPYYMON-ZDUSSCGKSA-N 1 0 302.374 3.650 20 5 DHBDRO COCC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000531701506 1024274325 /nfs/dbraw/zinc/27/43/25/1024274325.db2.gz JEVAFGDZWRSCFM-UHFFFAOYSA-N 1 0 318.398 3.592 20 5 DHBDRO CC[C@@H]([NH2+][C@H](CO)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000531738046 1024289662 /nfs/dbraw/zinc/28/96/62/1024289662.db2.gz GJMIZFGBIWKCQJ-QZTJIDSGSA-N 1 0 314.385 3.678 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCCOC1 ZINC000883351809 1024397911 /nfs/dbraw/zinc/39/79/11/1024397911.db2.gz MMQMGIFJHPAGMQ-LZWOXQAQSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000270614952 1024410386 /nfs/dbraw/zinc/41/03/86/1024410386.db2.gz DQBIQEIRPOWQDG-GOEBONIOSA-N 1 0 306.406 3.587 20 5 DHBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270631590 1024412073 /nfs/dbraw/zinc/41/20/73/1024412073.db2.gz MHODMACAZURGEI-JMSVASOKSA-N 1 0 320.414 3.819 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCC3(COC3)CC1)CCC2 ZINC000883381529 1024413646 /nfs/dbraw/zinc/41/36/46/1024413646.db2.gz OSJFXHVVXNYXST-KRWDZBQOSA-N 1 0 316.401 3.521 20 5 DHBDRO CCC[C@H](C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270651429 1024414870 /nfs/dbraw/zinc/41/48/70/1024414870.db2.gz UDKLJVIHNZMUQH-LBPRGKRZSA-N 1 0 303.362 3.870 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2c3ccccc3NC2(C)C)cc1[N+](=O)[O-] ZINC000883464634 1024441180 /nfs/dbraw/zinc/44/11/80/1024441180.db2.gz SDAAENBVAQIGHT-QGZVFWFLSA-N 1 0 311.385 3.938 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453317384 1024459229 /nfs/dbraw/zinc/45/92/29/1024459229.db2.gz LKXQOUIYRBHGSK-ZIAGYGMSSA-N 1 0 304.390 3.595 20 5 DHBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000337873031 1033212601 /nfs/dbraw/zinc/21/26/01/1033212601.db2.gz SIRMBHAKRFKIIW-MRXNPFEDSA-N 1 0 316.332 3.520 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000271295024 1024483944 /nfs/dbraw/zinc/48/39/44/1024483944.db2.gz SOGMOKCIIOUMOH-JSGCOSHPSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000453399605 1024496898 /nfs/dbraw/zinc/49/68/98/1024496898.db2.gz ANDZBAMWDFJFMB-KBPBESRZSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000453402622 1024498935 /nfs/dbraw/zinc/49/89/35/1024498935.db2.gz CLGNSUDMIFJLGO-ZIAGYGMSSA-N 1 0 306.406 3.759 20 5 DHBDRO CCC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000271495781 1024522684 /nfs/dbraw/zinc/52/26/84/1024522684.db2.gz LGHFNZRYCOMOBU-CVEARBPZSA-N 1 0 314.389 3.826 20 5 DHBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000585725996 1024576001 /nfs/dbraw/zinc/57/60/01/1024576001.db2.gz DYKBPHXZSRZWSU-ZDUSSCGKSA-N 1 0 317.364 3.802 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000532232500 1024584176 /nfs/dbraw/zinc/58/41/76/1024584176.db2.gz HFEYASVNWGLAQG-PBHICJAKSA-N 1 0 308.422 3.741 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000558257274 1024624782 /nfs/dbraw/zinc/62/47/82/1024624782.db2.gz YARGJOULRRTPFA-UONOGXRCSA-N 1 0 314.307 3.892 20 5 DHBDRO Cc1noc(C)c1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278975184 1024654526 /nfs/dbraw/zinc/65/45/26/1024654526.db2.gz CNDJTRUEOMZLSV-MRXNPFEDSA-N 1 0 315.373 3.712 20 5 DHBDRO COCCC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279007578 1024675878 /nfs/dbraw/zinc/67/58/78/1024675878.db2.gz GONGMBDDLVQLER-INIZCTEOSA-N 1 0 318.417 3.724 20 5 DHBDRO Cc1ncc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000279042318 1024694611 /nfs/dbraw/zinc/69/46/11/1024694611.db2.gz JMQOSGVAVYILFD-OAHLLOKOSA-N 1 0 317.414 3.872 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170325990 1024743577 /nfs/dbraw/zinc/74/35/77/1024743577.db2.gz ZUSPOHBXRXZSFN-KBPBESRZSA-N 1 0 320.433 3.950 20 5 DHBDRO CC[C@@H](C)C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111254974 1024750928 /nfs/dbraw/zinc/75/09/28/1024750928.db2.gz YBXINSOXICXVEG-CYBMUJFWSA-N 1 0 317.389 3.770 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001170348016 1024757678 /nfs/dbraw/zinc/75/76/78/1024757678.db2.gz URYCOZBPIMDGBO-VBQJREDUSA-N 1 0 318.417 3.799 20 5 DHBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000349959745 1024772648 /nfs/dbraw/zinc/77/26/48/1024772648.db2.gz DMTSALHYHWJQHS-DLBZAZTESA-N 1 0 318.417 3.683 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000279196609 1024784824 /nfs/dbraw/zinc/78/48/24/1024784824.db2.gz XAIZXZQNAIDVDA-SJCJKPOMSA-N 1 0 318.417 3.722 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000279196603 1024784843 /nfs/dbraw/zinc/78/48/43/1024784843.db2.gz XAIZXZQNAIDVDA-PXAZEXFGSA-N 1 0 318.417 3.722 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000897418763 1024791411 /nfs/dbraw/zinc/79/14/11/1024791411.db2.gz WDCBPCRARMWPIR-PXAZEXFGSA-N 1 0 324.380 3.868 20 5 DHBDRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878048 1024821994 /nfs/dbraw/zinc/82/19/94/1024821994.db2.gz RPQHLSMDEBIXSY-ZDUSSCGKSA-N 1 0 307.350 3.658 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000134791179 1033244340 /nfs/dbraw/zinc/24/43/40/1033244340.db2.gz HQUNHWIFQGLCRD-SDNTUTLCSA-N 1 0 316.401 3.511 20 5 DHBDRO C[N@H+](CC1CCCC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899771 1024912956 /nfs/dbraw/zinc/91/29/56/1024912956.db2.gz PVWLVRKHDSDDKB-UHFFFAOYSA-N 1 0 314.389 3.538 20 5 DHBDRO CC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)[C@H](C)C(C)C ZINC000728899889 1024916695 /nfs/dbraw/zinc/91/66/95/1024916695.db2.gz VCOVTWCXQJXQOE-CQSZACIVSA-N 1 0 316.405 3.782 20 5 DHBDRO C[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728901073 1024930913 /nfs/dbraw/zinc/93/09/13/1024930913.db2.gz WJMXATHFQDPVNE-CQSZACIVSA-N 1 0 314.389 3.538 20 5 DHBDRO CCCNC(=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000236842320 1024939906 /nfs/dbraw/zinc/93/99/06/1024939906.db2.gz IPFXOGGZKJXQAN-UHFFFAOYSA-N 1 0 320.436 3.999 20 5 DHBDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000793370786 1025010353 /nfs/dbraw/zinc/01/03/53/1025010353.db2.gz RPAZRGOPNWQBIF-CYBMUJFWSA-N 1 0 321.377 3.761 20 5 DHBDRO CC1(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC[NH2+]CC1 ZINC001168188260 1025034106 /nfs/dbraw/zinc/03/41/06/1025034106.db2.gz QGEHHHQSZHVBIA-UHFFFAOYSA-N 1 0 311.385 3.816 20 5 DHBDRO CSCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134849662 1025136313 /nfs/dbraw/zinc/13/63/13/1025136313.db2.gz AHWWEDNKQFXVHC-SNVBAGLBSA-N 1 0 302.827 3.822 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3cc[nH]c3n1)CCC2 ZINC000353638889 1025170842 /nfs/dbraw/zinc/17/08/42/1025170842.db2.gz BVJUPUAIIKCXDW-KRWDZBQOSA-N 1 0 322.368 3.638 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCC2 ZINC000539093258 1033271671 /nfs/dbraw/zinc/27/16/71/1033271671.db2.gz KDVAYPGAMCGKIH-LLVKDONJSA-N 1 0 302.399 3.996 20 5 DHBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000353902020 1025286086 /nfs/dbraw/zinc/28/60/86/1025286086.db2.gz SXFDTQVLRJSYTM-KRWDZBQOSA-N 1 0 302.374 3.623 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000279880917 1025303061 /nfs/dbraw/zinc/30/30/61/1025303061.db2.gz UPVWRWKJMNIJKT-INIZCTEOSA-N 1 0 300.333 3.901 20 5 DHBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC000728912324 1025336586 /nfs/dbraw/zinc/33/65/86/1025336586.db2.gz FZOXZJQTWLJAJZ-LBPRGKRZSA-N 1 0 300.333 3.853 20 5 DHBDRO C[C@@H](C[NH2+]Cc1nc(Cl)cs1)c1ccccc1[N+](=O)[O-] ZINC000897463075 1025366272 /nfs/dbraw/zinc/36/62/72/1025366272.db2.gz ASPRVHHWMLQNCO-VIFPVBQESA-N 1 0 311.794 3.598 20 5 DHBDRO C[C@@H]([NH2+]CCSCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000354271702 1025395208 /nfs/dbraw/zinc/39/52/08/1025395208.db2.gz MITDUKIWMYLVET-SECBINFHSA-N 1 0 308.325 3.541 20 5 DHBDRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000886010593 1025436890 /nfs/dbraw/zinc/43/68/90/1025436890.db2.gz LTKYFGPNSPWMTO-CWRNSKLLSA-N 1 0 306.406 3.902 20 5 DHBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886014091 1025438781 /nfs/dbraw/zinc/43/87/81/1025438781.db2.gz BWHGTUSGCIDNSU-GOEBONIOSA-N 1 0 311.385 3.676 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000886049905 1025451331 /nfs/dbraw/zinc/45/13/31/1025451331.db2.gz XTIDQFPGVRAZIA-INIZCTEOSA-N 1 0 318.417 3.609 20 5 DHBDRO CCCC[C@@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572685002 1025463252 /nfs/dbraw/zinc/46/32/52/1025463252.db2.gz AVYDKOVDDJFERG-GFCCVEGCSA-N 1 0 318.377 3.655 20 5 DHBDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000126106528 1025466916 /nfs/dbraw/zinc/46/69/16/1025466916.db2.gz KGECFNQGRQODKI-ZDUSSCGKSA-N 1 0 300.358 3.844 20 5 DHBDRO Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747218327 1025496882 /nfs/dbraw/zinc/49/68/82/1025496882.db2.gz SUCHYMRYWIYLRP-ZDUSSCGKSA-N 1 0 323.824 3.621 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342819255 1025514403 /nfs/dbraw/zinc/51/44/03/1025514403.db2.gz AMMLVCYWIWLXGP-SJLPKXTDSA-N 1 0 318.417 3.862 20 5 DHBDRO Cc1ccc([C@@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)c(C)c1 ZINC000886181723 1025552544 /nfs/dbraw/zinc/55/25/44/1025552544.db2.gz RYPGEPFXSCRLAU-OAHLLOKOSA-N 1 0 311.385 3.596 20 5 DHBDRO COC1CCC(C)(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000355125110 1025609606 /nfs/dbraw/zinc/60/96/06/1025609606.db2.gz PTTBDFNLAZYKKB-UHFFFAOYSA-N 1 0 306.406 3.588 20 5 DHBDRO COC1CCC(C)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000355150185 1025614458 /nfs/dbraw/zinc/61/44/58/1025614458.db2.gz KPOBABGCBQVVQI-UHFFFAOYSA-N 1 0 306.406 3.588 20 5 DHBDRO COc1cccc(NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000355331461 1025682457 /nfs/dbraw/zinc/68/24/57/1025682457.db2.gz FSWLNKRDHOBXLQ-CQSZACIVSA-N 1 0 321.421 3.527 20 5 DHBDRO CCCCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccccc1 ZINC000355343213 1025685765 /nfs/dbraw/zinc/68/57/65/1025685765.db2.gz ZKAMVALDGWFCKW-AWEZNQCLSA-N 1 0 316.405 3.692 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCc3cccnc32)cc1 ZINC000886549925 1025694952 /nfs/dbraw/zinc/69/49/52/1025694952.db2.gz PICRUIQSBTZQKD-QGZVFWFLSA-N 1 0 311.385 3.590 20 5 DHBDRO COCCC1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000355502130 1025746700 /nfs/dbraw/zinc/74/67/00/1025746700.db2.gz RRVJWMHMEBVFCC-UHFFFAOYSA-N 1 0 306.406 3.767 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886700583 1025811565 /nfs/dbraw/zinc/81/15/65/1025811565.db2.gz BXTYBKZWUWRAAA-DZGCQCFKSA-N 1 0 304.390 3.513 20 5 DHBDRO COCC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000355772883 1025836580 /nfs/dbraw/zinc/83/65/80/1025836580.db2.gz ZXDAPYMMIXLJBK-IJVDHGTGSA-N 1 0 316.357 3.568 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355785045 1025837844 /nfs/dbraw/zinc/83/78/44/1025837844.db2.gz PBUMXAZBQRHNES-WMLDXEAASA-N 1 0 304.390 3.548 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222854 1025954362 /nfs/dbraw/zinc/95/43/62/1025954362.db2.gz KHIDMGCJGYIFTG-CQSZACIVSA-N 1 0 304.390 3.548 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000886920602 1025981599 /nfs/dbraw/zinc/98/15/99/1025981599.db2.gz COYVUONEDKEPGZ-QGZVFWFLSA-N 1 0 324.384 3.722 20 5 DHBDRO COc1cc(F)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090972131 1026094571 /nfs/dbraw/zinc/09/45/71/1026094571.db2.gz MGAOSVRNMYGJDJ-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO COc1cc(F)cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000093899700 1026132871 /nfs/dbraw/zinc/13/28/71/1026132871.db2.gz QXCUEFPRCDZZFG-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO COc1cc(F)cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000093899701 1026134425 /nfs/dbraw/zinc/13/44/25/1026134425.db2.gz QXCUEFPRCDZZFG-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000289758265 1026160021 /nfs/dbraw/zinc/16/00/21/1026160021.db2.gz JPAUYAFEIRMYQV-UHFFFAOYSA-N 1 0 311.385 3.678 20 5 DHBDRO CC1(C)CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000151136146 1026352219 /nfs/dbraw/zinc/35/22/19/1026352219.db2.gz TWEXJAMQKHPKBS-OAHLLOKOSA-N 1 0 320.389 3.520 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000513496985 1026523141 /nfs/dbraw/zinc/52/31/41/1026523141.db2.gz OPYNLEDBQQUEJV-CQSZACIVSA-N 1 0 300.333 3.723 20 5 DHBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000513497557 1026523499 /nfs/dbraw/zinc/52/34/99/1026523499.db2.gz YNUYTRNKMVVISF-CQSZACIVSA-N 1 0 314.385 3.666 20 5 DHBDRO Cc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1F ZINC000561967553 1027150581 /nfs/dbraw/zinc/15/05/81/1027150581.db2.gz GAYAKQGBBXYRLC-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157724074 1027358896 /nfs/dbraw/zinc/35/88/96/1027358896.db2.gz ZTMAEMCYXLUWRT-SJLPKXTDSA-N 1 0 317.433 3.510 20 5 DHBDRO CCCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC001170684915 1027385554 /nfs/dbraw/zinc/38/55/54/1027385554.db2.gz YYZPPIPXWVWZRT-HOCLYGCPSA-N 1 0 322.453 3.781 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295804723 1027435768 /nfs/dbraw/zinc/43/57/68/1027435768.db2.gz WICZKTGXZURINW-AWEZNQCLSA-N 1 0 318.417 3.673 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295804731 1027437199 /nfs/dbraw/zinc/43/71/99/1027437199.db2.gz WICZKTGXZURINW-CQSZACIVSA-N 1 0 318.417 3.673 20 5 DHBDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000362947643 1027458005 /nfs/dbraw/zinc/45/80/05/1027458005.db2.gz BQHCRGIFLASDKK-HNNXBMFYSA-N 1 0 324.446 3.709 20 5 DHBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000362951512 1027461762 /nfs/dbraw/zinc/46/17/62/1027461762.db2.gz MUDVAZBFLGKZCB-OAHLLOKOSA-N 1 0 320.437 3.653 20 5 DHBDRO CC(F)(F)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000295985385 1027512736 /nfs/dbraw/zinc/51/27/36/1027512736.db2.gz JVKYWLFCWGJCMS-UHFFFAOYSA-N 1 0 324.274 3.721 20 5 DHBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000296076708 1027534176 /nfs/dbraw/zinc/53/41/76/1027534176.db2.gz XAFZZWRJBJSLJI-CHWSQXEVSA-N 1 0 302.378 3.531 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1C ZINC000932569060 1027545548 /nfs/dbraw/zinc/54/55/48/1027545548.db2.gz QIRGQLGQYUYNOQ-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](C)[NH3+] ZINC000423449241 1027547575 /nfs/dbraw/zinc/54/75/75/1027547575.db2.gz REUFQYQBIJWJNL-TUAOUCFPSA-N 1 0 319.430 3.710 20 5 DHBDRO CC(F)(F)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000296151201 1027557300 /nfs/dbraw/zinc/55/73/00/1027557300.db2.gz VWTBWPNSABELGV-OCCSQVGLSA-N 1 0 312.360 3.941 20 5 DHBDRO CCC[C@H](N[C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423533883 1027578024 /nfs/dbraw/zinc/57/80/24/1027578024.db2.gz UNPSDNPEBIVCLN-DLBZAZTESA-N 1 0 305.422 3.543 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000778949884 1027635204 /nfs/dbraw/zinc/63/52/04/1027635204.db2.gz DFQFQJNWURGQOX-MNOVXSKESA-N 1 0 302.296 3.848 20 5 DHBDRO Cc1cccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000577475085 1027779535 /nfs/dbraw/zinc/77/95/35/1027779535.db2.gz TUPIQPDPHIOAOF-GOSISDBHSA-N 1 0 311.385 3.856 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCOC12CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000933875630 1027853080 /nfs/dbraw/zinc/85/30/80/1027853080.db2.gz UCUQGRVVBUAQBU-BBRMVZONSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000814178449 1027914750 /nfs/dbraw/zinc/91/47/50/1027914750.db2.gz QBAMHEGWRIQVHL-UHFFFAOYSA-N 1 0 319.792 3.977 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934333889 1027967320 /nfs/dbraw/zinc/96/73/20/1027967320.db2.gz RIAQWTCLRDNOGV-QWHCGFSZSA-N 1 0 317.414 3.677 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000601135212 1027999081 /nfs/dbraw/zinc/99/90/81/1027999081.db2.gz BXDXPKSCEBGVSB-UXYGNLPZSA-N 1 0 324.380 3.728 20 5 DHBDRO Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])ccc1F ZINC000563414920 1028034308 /nfs/dbraw/zinc/03/43/08/1028034308.db2.gz AQQASRSYXBWHAZ-MRXNPFEDSA-N 1 0 300.333 3.819 20 5 DHBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419812 1028039151 /nfs/dbraw/zinc/03/91/51/1028039151.db2.gz ZIECWGFHGNGDBG-JOYOIKCWSA-N 1 0 302.296 3.903 20 5 DHBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000601272511 1028052475 /nfs/dbraw/zinc/05/24/75/1028052475.db2.gz GGQNFXYTGGXPMG-SJCJKPOMSA-N 1 0 312.369 3.942 20 5 DHBDRO CC(C)C1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000578343086 1028128172 /nfs/dbraw/zinc/12/81/72/1028128172.db2.gz AMQKNGFRTOCISL-UHFFFAOYSA-N 1 0 317.414 3.997 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(c2ccccc2)CC1 ZINC000449078187 1028342280 /nfs/dbraw/zinc/34/22/80/1028342280.db2.gz XCZDOSMGKJPUFW-OAHLLOKOSA-N 1 0 310.397 3.847 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CSc2ccccc21 ZINC000449159308 1028421688 /nfs/dbraw/zinc/42/16/88/1028421688.db2.gz ZEBSKKBDWFJCKO-WFASDCNBSA-N 1 0 314.410 3.962 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000449195414 1028433548 /nfs/dbraw/zinc/43/35/48/1028433548.db2.gz WCHYHACKXFGUOS-ZBFHGGJFSA-N 1 0 318.417 3.607 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000449309051 1028527646 /nfs/dbraw/zinc/52/76/46/1028527646.db2.gz BNOHOYQDENJZBM-LVQVYYBASA-N 1 0 320.433 3.709 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000449308164 1028527869 /nfs/dbraw/zinc/52/78/69/1028527869.db2.gz VCPAMKKAJDQNHJ-CHWSQXEVSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@@H]([NH2+]CCSc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554929 1028542747 /nfs/dbraw/zinc/54/27/47/1028542747.db2.gz MGZFVODFFJCDOY-GFCCVEGCSA-N 1 0 317.414 3.620 20 5 DHBDRO Cc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815582308 1028554166 /nfs/dbraw/zinc/55/41/66/1028554166.db2.gz CBCKWZQSLGCVRY-PWSUYJOCSA-N 1 0 319.430 3.829 20 5 DHBDRO Cc1cccc([C@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815582832 1028554418 /nfs/dbraw/zinc/55/44/18/1028554418.db2.gz QGNHBGJRPWVYMM-KGLIPLIRSA-N 1 0 313.401 3.940 20 5 DHBDRO CC(C)OC1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815597767 1028561532 /nfs/dbraw/zinc/56/15/32/1028561532.db2.gz FXBBPCUEIAPGIP-LRVUVFPRSA-N 1 0 321.421 3.564 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000449350372 1028565771 /nfs/dbraw/zinc/56/57/71/1028565771.db2.gz VLFLFFZGRSRJMT-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO CCO[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492139 1028688779 /nfs/dbraw/zinc/68/87/79/1028688779.db2.gz IOFVRKLUMTYNRU-KSSFIOAISA-N 1 0 320.433 3.965 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)cc1 ZINC000449495427 1028705705 /nfs/dbraw/zinc/70/57/05/1028705705.db2.gz DEVIUDCGGVYREN-INIZCTEOSA-N 1 0 312.369 3.680 20 5 DHBDRO Cc1cccc(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000566984110 1028815296 /nfs/dbraw/zinc/81/52/96/1028815296.db2.gz WXKDXCDIBNVPDK-KRWDZBQOSA-N 1 0 311.385 3.508 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000449624650 1028860399 /nfs/dbraw/zinc/86/03/99/1028860399.db2.gz NQPYTXMABBXZGP-DZGCQCFKSA-N 1 0 318.398 3.666 20 5 DHBDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077456182 1028880548 /nfs/dbraw/zinc/88/05/48/1028880548.db2.gz GMKBTEKLUASFJW-OAHLLOKOSA-N 1 0 314.813 3.525 20 5 DHBDRO Cc1cc(NC2CCC([NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000817125360 1029083126 /nfs/dbraw/zinc/08/31/26/1029083126.db2.gz QKVODPFBBVBNHH-UHFFFAOYSA-N 1 0 311.813 3.841 20 5 DHBDRO CCCC[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000568743055 1029120024 /nfs/dbraw/zinc/12/00/24/1029120024.db2.gz OVXOMGIENSGHMS-CQSZACIVSA-N 1 0 321.421 3.742 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCCC3)CC2)c(Cl)c1 ZINC000374002702 1029183173 /nfs/dbraw/zinc/18/31/73/1029183173.db2.gz MWSFAHFCTQKUIX-UHFFFAOYSA-N 1 0 323.824 3.749 20 5 DHBDRO CC[NH+](CC)CCSc1nccc2c1cccc2[N+](=O)[O-] ZINC000450360007 1029401740 /nfs/dbraw/zinc/40/17/40/1029401740.db2.gz YSHVAGOHDPGPFP-UHFFFAOYSA-N 1 0 305.403 3.577 20 5 DHBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1=CCCCC1 ZINC000819238140 1029509309 /nfs/dbraw/zinc/50/93/09/1029509309.db2.gz BBIJBWGCAADTFC-KRWDZBQOSA-N 1 0 318.417 3.744 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819366339 1029551641 /nfs/dbraw/zinc/55/16/41/1029551641.db2.gz NZGIRJSTEZHUCH-IAGOWNOFSA-N 1 0 306.406 3.577 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000530325350 1029818565 /nfs/dbraw/zinc/81/85/65/1029818565.db2.gz FBICTFCQMTZCMB-DUYRLRNSSA-N 1 0 304.390 3.544 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000451477127 1029879557 /nfs/dbraw/zinc/87/95/57/1029879557.db2.gz HEWATUIZSRSGED-KMUNFCNLSA-N 1 0 324.808 3.541 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000451479598 1029880420 /nfs/dbraw/zinc/88/04/20/1029880420.db2.gz NQPJXGKOUJYDHZ-YUELXQCFSA-N 1 0 324.808 3.541 20 5 DHBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549104 1029911086 /nfs/dbraw/zinc/91/10/86/1029911086.db2.gz OXZAIMXXGIYAOE-GOEBONIOSA-N 1 0 311.385 3.930 20 5 DHBDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549106 1029913778 /nfs/dbraw/zinc/91/37/78/1029913778.db2.gz OXZAIMXXGIYAOE-HOCLYGCPSA-N 1 0 311.385 3.930 20 5 DHBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)C[N@@H+]1C1CC1 ZINC000865600423 1029932627 /nfs/dbraw/zinc/93/26/27/1029932627.db2.gz MSSCZHZOJOBLPH-VHSXEESVSA-N 1 0 311.332 3.570 20 5 DHBDRO CC(C)[C@@H](CO)[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000451612709 1029947119 /nfs/dbraw/zinc/94/71/19/1029947119.db2.gz MNPZPXLYBNRSQM-YSVLISHTSA-N 1 0 308.422 3.535 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCSC1 ZINC000865652400 1029963556 /nfs/dbraw/zinc/96/35/56/1029963556.db2.gz ZSRJKCTWEAGBHL-RNQWEJQRSA-N 1 0 306.431 3.731 20 5 DHBDRO COc1cccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000468653881 1029984711 /nfs/dbraw/zinc/98/47/11/1029984711.db2.gz YWIYIIAHNSDCKS-ZROIWOOFSA-N 1 0 312.369 3.797 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC23CCOCC3)c1 ZINC000865778031 1030020253 /nfs/dbraw/zinc/02/02/53/1030020253.db2.gz FLXBQQUQQZXRTI-ZDUSSCGKSA-N 1 0 324.808 3.545 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000451835692 1030025361 /nfs/dbraw/zinc/02/53/61/1030025361.db2.gz KGIWWXZBJPJSMJ-KRWDZBQOSA-N 1 0 312.369 3.958 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2scnc2C2CC2)cc1[N+](=O)[O-] ZINC000865787258 1030025324 /nfs/dbraw/zinc/02/53/24/1030025324.db2.gz JMTLIWCACAVPNM-UHFFFAOYSA-N 1 0 303.387 3.527 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451966713 1030073447 /nfs/dbraw/zinc/07/34/47/1030073447.db2.gz POUKIVDFJDMIJO-BBRMVZONSA-N 1 0 306.431 3.875 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000452097604 1030120206 /nfs/dbraw/zinc/12/02/06/1030120206.db2.gz YPJPCASYYLYFLP-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCc2cccnc2)cc1[N+](=O)[O-] ZINC000866303802 1030214021 /nfs/dbraw/zinc/21/40/21/1030214021.db2.gz WHYNTCYHCJBDJO-LSDHHAIUSA-N 1 0 313.401 3.970 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000866351839 1030247703 /nfs/dbraw/zinc/24/77/03/1030247703.db2.gz RVCNTUGNHNLQAU-MNOVXSKESA-N 1 0 316.323 3.690 20 5 DHBDRO CC[C@@H]([NH2+]CCOc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000358092671 1030323128 /nfs/dbraw/zinc/32/31/28/1030323128.db2.gz WUJXDYUTTZEXAC-MRXNPFEDSA-N 1 0 318.348 3.854 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000866512096 1030337784 /nfs/dbraw/zinc/33/77/84/1030337784.db2.gz ZEPHGNSJXXUGAB-NJAFHUGGSA-N 1 0 318.417 3.841 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000866527571 1030345829 /nfs/dbraw/zinc/34/58/29/1030345829.db2.gz KLSLILBBZPPLQG-NVXWUHKLSA-N 1 0 318.417 3.842 20 5 DHBDRO COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540885 1030361852 /nfs/dbraw/zinc/36/18/52/1030361852.db2.gz SKMIWUDIBXLCAO-QGZVFWFLSA-N 1 0 312.369 3.689 20 5 DHBDRO COC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000533581177 1030441778 /nfs/dbraw/zinc/44/17/78/1030441778.db2.gz SMFNDOORMKMOML-OIISXLGYSA-N 1 0 320.433 3.567 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)C1(Br)CC1)c1ccccc1[N+](=O)[O-] ZINC000925691885 1030455275 /nfs/dbraw/zinc/45/52/75/1030455275.db2.gz KPDFMQQFQOCDRZ-UWVGGRQHSA-N 1 0 313.195 3.561 20 5 DHBDRO COC[C@](C)(O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000824559642 1030581093 /nfs/dbraw/zinc/58/10/93/1030581093.db2.gz XHICHBNWQZBCSY-OAQYLSRUSA-N 1 0 323.436 3.870 20 5 DHBDRO C[C@@H]1C[C@@H](c2cccnc2)N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000358829489 1030641829 /nfs/dbraw/zinc/64/18/29/1030641829.db2.gz RINUEXYAJMIXIV-PXAZEXFGSA-N 1 0 315.348 3.712 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)C1(Br)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926494047 1030764817 /nfs/dbraw/zinc/76/48/17/1030764817.db2.gz YINLQSCZNGOTFR-UWVGGRQHSA-N 1 0 313.195 3.561 20 5 DHBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccnc(Cl)c1)C1CC1 ZINC000179241140 1030889408 /nfs/dbraw/zinc/88/94/08/1030889408.db2.gz CMJQOGGCPHWXIB-UHFFFAOYSA-N 1 0 317.776 3.808 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC000926914642 1030986862 /nfs/dbraw/zinc/98/68/62/1030986862.db2.gz BPPVFPPEYAQOPQ-IAOVAPTHSA-N 1 0 304.390 3.513 20 5 DHBDRO C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])ccc2O1 ZINC000926917935 1030990970 /nfs/dbraw/zinc/99/09/70/1030990970.db2.gz FCBMOPMSUCGXCV-SJKOYZFVSA-N 1 0 324.380 3.695 20 5 DHBDRO CC[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000359927191 1031200462 /nfs/dbraw/zinc/20/04/62/1031200462.db2.gz UPWRNUVFJUFGDL-RHSMWYFYSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000293172795 1031359018 /nfs/dbraw/zinc/35/90/18/1031359018.db2.gz STGTZNQVEGINKX-FZMZJTMJSA-N 1 0 320.780 3.532 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000536696469 1031400936 /nfs/dbraw/zinc/40/09/36/1031400936.db2.gz WZGXBKCQQYYHKI-FWEDBPMCSA-N 1 0 318.442 3.968 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cccnc1 ZINC000872020111 1031403377 /nfs/dbraw/zinc/40/33/77/1031403377.db2.gz CZRFHAYGJQNMAV-GFCCVEGCSA-N 1 0 317.414 3.605 20 5 DHBDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872036698 1031420983 /nfs/dbraw/zinc/42/09/83/1031420983.db2.gz VJNHXTYHWJEWQY-ABAIWWIYSA-N 1 0 312.435 3.518 20 5 DHBDRO C[C@H]([NH2+]CC1(CCO)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043304 1031427388 /nfs/dbraw/zinc/42/73/88/1031427388.db2.gz WQEAWXDHJJGYNL-ZDUSSCGKSA-N 1 0 324.396 3.717 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053036 1031440963 /nfs/dbraw/zinc/44/09/63/1031440963.db2.gz WAMUKUSMSQGPPA-SLEUVZQESA-N 1 0 324.396 3.978 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069899 1031464887 /nfs/dbraw/zinc/46/48/87/1031464887.db2.gz RJLCCYRMTVBVRD-XJFOESAGSA-N 1 0 324.396 3.978 20 5 DHBDRO Cc1cccnc1CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076843 1031471556 /nfs/dbraw/zinc/47/15/56/1031471556.db2.gz UIERIUHHNCVONR-ZDUSSCGKSA-N 1 0 317.364 3.721 20 5 DHBDRO COCC1CCC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872078792 1031474525 /nfs/dbraw/zinc/47/45/25/1031474525.db2.gz JWLMWJXBWBTZDU-PNESKVBLSA-N 1 0 310.369 3.590 20 5 DHBDRO CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872076881 1031475188 /nfs/dbraw/zinc/47/51/88/1031475188.db2.gz UTWYALJNLWPLGC-WOSRLPQWSA-N 1 0 324.396 3.836 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872088322 1031486002 /nfs/dbraw/zinc/48/60/02/1031486002.db2.gz PUWFMZGXIKERFF-DTWKUNHWSA-N 1 0 321.179 3.968 20 5 DHBDRO Cc1csc(CCCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000873037310 1031696127 /nfs/dbraw/zinc/69/61/27/1031696127.db2.gz SZGDQQAQAMGGJC-UHFFFAOYSA-N 1 0 319.430 3.781 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000873080858 1031704474 /nfs/dbraw/zinc/70/44/74/1031704474.db2.gz UVLSXTQNAHHIEU-HNNXBMFYSA-N 1 0 318.417 3.793 20 5 DHBDRO Cc1cnc([C@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000873105163 1031713098 /nfs/dbraw/zinc/71/30/98/1031713098.db2.gz SRPUGMQXLXFQEX-LLVKDONJSA-N 1 0 319.430 3.870 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]CCCCF)o2)c([N+](=O)[O-])c1 ZINC000361084777 1031719588 /nfs/dbraw/zinc/71/95/88/1031719588.db2.gz RBJUMRSLTNOMKF-UHFFFAOYSA-N 1 0 322.336 3.703 20 5 DHBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000873184435 1031746237 /nfs/dbraw/zinc/74/62/37/1031746237.db2.gz PZZDPDMDPXQSES-CYBMUJFWSA-N 1 0 300.358 3.844 20 5 DHBDRO C[C@]1(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000846037900 1031830210 /nfs/dbraw/zinc/83/02/10/1031830210.db2.gz PRLGLWLDVPKTCC-UNCXAERMSA-N 1 0 312.772 3.902 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cncs1 ZINC000897932410 1031874314 /nfs/dbraw/zinc/87/43/14/1031874314.db2.gz LUPCWKFANWLGNC-RYUDHWBXSA-N 1 0 305.403 3.723 20 5 DHBDRO CC1(C)CC2(CC([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CO1 ZINC000897969190 1031899272 /nfs/dbraw/zinc/89/92/72/1031899272.db2.gz GAWHNBQEPBOAGL-UHFFFAOYSA-N 1 0 324.808 3.686 20 5 DHBDRO C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846182754 1031916231 /nfs/dbraw/zinc/91/62/31/1031916231.db2.gz CSUCBLVGTUGKED-FZZIBODNSA-N 1 0 315.776 3.532 20 5 DHBDRO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC000361641554 1032030472 /nfs/dbraw/zinc/03/04/72/1032030472.db2.gz CKEKVIRUEXFJLQ-BBRMVZONSA-N 1 0 306.406 3.540 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000927029725 1033347579 /nfs/dbraw/zinc/34/75/79/1033347579.db2.gz FCXKQLHLAUKUTK-OBJOEFQTSA-N 1 0 324.446 3.928 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000877603633 1033376746 /nfs/dbraw/zinc/37/67/46/1033376746.db2.gz RKUKFBMKZGJUDQ-QAPCUYQASA-N 1 0 318.417 3.603 20 5 DHBDRO Cc1ccc(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172899441 1033434839 /nfs/dbraw/zinc/43/48/39/1033434839.db2.gz XYKJMIUTFSAKTI-LJQANCHMSA-N 1 0 324.424 3.983 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccncc1 ZINC001172897337 1033435305 /nfs/dbraw/zinc/43/53/05/1033435305.db2.gz ZKDSXUPKAXGDRE-DYVFJYSZSA-N 1 0 311.385 3.588 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(c3ccccn3)CC1)CC2 ZINC001172899851 1033435886 /nfs/dbraw/zinc/43/58/86/1033435886.db2.gz DSPDPDAGLQEQTN-MRXNPFEDSA-N 1 0 323.396 3.516 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC3(C1)CCCC3)CC2 ZINC001172905831 1033437024 /nfs/dbraw/zinc/43/70/24/1033437024.db2.gz VBANRZVLNWBCGT-MRXNPFEDSA-N 1 0 300.402 3.718 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)CC2 ZINC001172902523 1033437673 /nfs/dbraw/zinc/43/76/73/1033437673.db2.gz ZERVYFDDEFBFJT-SXLOBPIMSA-N 1 0 322.408 3.988 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1COc3ccccc31)CC2 ZINC001172901897 1033437740 /nfs/dbraw/zinc/43/77/40/1033437740.db2.gz RDABUVFIMCSFFU-QAPCUYQASA-N 1 0 324.380 3.566 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1Cc3ccccc3C1)CC2 ZINC001172908864 1033439317 /nfs/dbraw/zinc/43/93/17/1033439317.db2.gz OXNUJEYFLSCMFP-GOSISDBHSA-N 1 0 308.381 3.858 20 5 DHBDRO C[C@H]1C[C@@H](CF)[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906714 1033439948 /nfs/dbraw/zinc/43/99/48/1033439948.db2.gz YBJSSXWSTBNQOQ-NUTKFTJISA-N 1 0 306.381 3.522 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H]3CCC[C@H]3C1)CC2 ZINC001172906999 1033440282 /nfs/dbraw/zinc/44/02/82/1033440282.db2.gz ZLZCZNHTGWJVOB-FHLIZLRMSA-N 1 0 314.429 3.964 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3ccccc3C1)CC2 ZINC001172908752 1033440436 /nfs/dbraw/zinc/44/04/36/1033440436.db2.gz NPOPQVATORYWSA-IBGZPJMESA-N 1 0 322.408 3.901 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)CC2 ZINC001172913762 1033462356 /nfs/dbraw/zinc/46/23/56/1033462356.db2.gz ZERVYFDDEFBFJT-YSIASYRMSA-N 1 0 322.408 3.988 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC3CCC(CC3)C1)CC2 ZINC001172920614 1033467677 /nfs/dbraw/zinc/46/76/77/1033467677.db2.gz LJFKHFZEUQLZTC-JMLCCBQJSA-N 1 0 314.429 3.964 20 5 DHBDRO C[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001172909721 1033482530 /nfs/dbraw/zinc/48/25/30/1033482530.db2.gz VFHYIQSCOHAMFA-SWLSCSKDSA-N 1 0 324.371 3.819 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCC1(F)F)CC2 ZINC001172911551 1033486152 /nfs/dbraw/zinc/48/61/52/1033486152.db2.gz JKKDTKYMYJILBX-UKRRQHHQSA-N 1 0 310.344 3.620 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC3(CCC3)C1)CC2 ZINC001172912667 1033486328 /nfs/dbraw/zinc/48/63/28/1033486328.db2.gz CDCRPUYGOQSSDT-INIZCTEOSA-N 1 0 300.402 3.718 20 5 DHBDRO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](C)C(C)C ZINC000878000022 1033547218 /nfs/dbraw/zinc/54/72/18/1033547218.db2.gz BVXGCYNXTOYLKC-LBPRGKRZSA-N 1 0 318.377 3.511 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C)(C)CC2CC2)c1F ZINC001173181028 1033581382 /nfs/dbraw/zinc/58/13/82/1033581382.db2.gz NKUBQFPSPHQNKG-NSHDSACASA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CC(C)(C)C2)c1F ZINC001173187349 1033584501 /nfs/dbraw/zinc/58/45/01/1033584501.db2.gz ZUSHZRKEGYVMEN-LLVKDONJSA-N 1 0 324.396 3.699 20 5 DHBDRO CC[C@H]1CCCC[N@@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173191327 1033584516 /nfs/dbraw/zinc/58/45/16/1033584516.db2.gz CCZFYWMDPYDZFG-OLZOCXBDSA-N 1 0 324.396 3.938 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](C)[C@H]2C)c1F ZINC001173190930 1033584778 /nfs/dbraw/zinc/58/47/78/1033584778.db2.gz XRAHTWCNTUHFJO-FRRDWIJNSA-N 1 0 324.396 3.794 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](C)CC2)c1F ZINC001173182801 1033584826 /nfs/dbraw/zinc/58/48/26/1033584826.db2.gz UHSVQBQCRJNRLR-OLZOCXBDSA-N 1 0 324.396 3.796 20 5 DHBDRO Cc1ccc(F)c(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001173215352 1033597840 /nfs/dbraw/zinc/59/78/40/1033597840.db2.gz VHRVFTYBFTVHND-LBPRGKRZSA-N 1 0 320.339 3.902 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nccc2ccccc21 ZINC001173218089 1033598007 /nfs/dbraw/zinc/59/80/07/1033598007.db2.gz OGVLQHSATXRZEO-CQSZACIVSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC001173218848 1033600504 /nfs/dbraw/zinc/60/05/04/1033600504.db2.gz MQZCKZMHJRNNMS-KPZWWZAWSA-N 1 0 312.369 3.509 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccccc2F)CC1 ZINC001173219919 1033600514 /nfs/dbraw/zinc/60/05/14/1033600514.db2.gz RBWAUMKAXLISHD-ZDUSSCGKSA-N 1 0 314.360 3.944 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1Cc2ccc(F)cc2C1 ZINC001173224934 1033602804 /nfs/dbraw/zinc/60/28/04/1033602804.db2.gz AAANUOKKKPEEGD-LBPRGKRZSA-N 1 0 300.333 3.681 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCc2ccccc21 ZINC001173224953 1033603206 /nfs/dbraw/zinc/60/32/06/1033603206.db2.gz POSSYEGONOWXLA-RHSMWYFYSA-N 1 0 310.397 3.845 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001173224935 1033603333 /nfs/dbraw/zinc/60/33/33/1033603333.db2.gz PLUCISOETBDPQR-OCCSQVGLSA-N 1 0 312.360 3.941 20 5 DHBDRO COc1cccc(C[N@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173226845 1033606259 /nfs/dbraw/zinc/60/62/59/1033606259.db2.gz LXGAWBVDJZBXAS-AWEZNQCLSA-N 1 0 314.385 3.666 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cncc(Cl)c1 ZINC001173229337 1033606541 /nfs/dbraw/zinc/60/65/41/1033606541.db2.gz NAXAXGLQEBALSY-VXGBXAGGSA-N 1 0 319.792 3.925 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccccn1)C1CC1 ZINC001173233253 1033608138 /nfs/dbraw/zinc/60/81/38/1033608138.db2.gz HRQIKUQUJJRHPT-UGSOOPFHSA-N 1 0 311.385 3.662 20 5 DHBDRO C[C@H]([NH3+])c1nc2ccccc2n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211418 1033613716 /nfs/dbraw/zinc/61/37/16/1033613716.db2.gz RUPNHXLHBLATFY-STQMWFEESA-N 1 0 324.384 3.768 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1cccs1 ZINC001173213649 1033614108 /nfs/dbraw/zinc/61/41/08/1033614108.db2.gz JJQYRRIICXAQOW-ZDUSSCGKSA-N 1 0 304.415 3.810 20 5 DHBDRO Cc1ccc(C)c(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173213030 1033614932 /nfs/dbraw/zinc/61/49/32/1033614932.db2.gz CUQJNZYZEHJGAC-MRXNPFEDSA-N 1 0 312.413 3.975 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001173213787 1033615121 /nfs/dbraw/zinc/61/51/21/1033615121.db2.gz HWBGLFOLRLKQIL-AWEZNQCLSA-N 1 0 310.397 3.804 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001173214707 1033615801 /nfs/dbraw/zinc/61/58/01/1033615801.db2.gz FEGXKNRVCHNUNX-CYBMUJFWSA-N 1 0 302.349 3.763 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000878374917 1033681870 /nfs/dbraw/zinc/68/18/70/1033681870.db2.gz ZKDBVRBOKHWZND-QWHCGFSZSA-N 1 0 306.406 3.839 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc(F)c1)C1CC1 ZINC000480237901 1034148365 /nfs/dbraw/zinc/14/83/65/1034148365.db2.gz BVDZYAXFEQMTFM-KRWDZBQOSA-N 1 0 314.360 3.845 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879998807 1034173969 /nfs/dbraw/zinc/17/39/69/1034173969.db2.gz ASFFLFUNFADKJX-GWCFXTLKSA-N 1 0 302.296 3.930 20 5 DHBDRO Cc1csc([C@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008870 1034181068 /nfs/dbraw/zinc/18/10/68/1034181068.db2.gz FEUVCIYZTSUUGC-OLZOCXBDSA-N 1 0 317.414 3.910 20 5 DHBDRO Cc1c(CNc2ccc(CC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000864010464 1034249849 /nfs/dbraw/zinc/24/98/49/1034249849.db2.gz BAKIEJFGSHXTQI-UHFFFAOYSA-N 1 0 313.401 3.619 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1CNc1ccc2c[nH+]ccc2c1 ZINC000864030969 1034268004 /nfs/dbraw/zinc/26/80/04/1034268004.db2.gz RWVQPCFBBAPAET-UHFFFAOYSA-N 1 0 309.325 3.764 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC(C)(C)O1 ZINC000480511126 1034276693 /nfs/dbraw/zinc/27/66/93/1034276693.db2.gz LBOKHEKHEHCOKT-MRXNPFEDSA-N 1 0 306.406 3.763 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880318465 1034294440 /nfs/dbraw/zinc/29/44/40/1034294440.db2.gz ZLAMFFQTHGRZOV-SNVBAGLBSA-N 1 0 323.805 3.694 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCCCO2)CC1 ZINC000880455077 1034334704 /nfs/dbraw/zinc/33/47/04/1034334704.db2.gz NTUAPOHOVONHQM-CQSZACIVSA-N 1 0 304.390 3.691 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880505874 1034346717 /nfs/dbraw/zinc/34/67/17/1034346717.db2.gz OOPBOHKZLYSEDO-XKQJLSEDSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000480622296 1034358852 /nfs/dbraw/zinc/35/88/52/1034358852.db2.gz GFSOJXMNKBBDFV-YCPHGPKFSA-N 1 0 319.449 3.817 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000183267316 1034368160 /nfs/dbraw/zinc/36/81/60/1034368160.db2.gz QVBFFEDAQHNDFI-ZFVVBOAOSA-N 1 0 316.401 3.593 20 5 DHBDRO C[C@@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000481028076 1034559678 /nfs/dbraw/zinc/55/96/78/1034559678.db2.gz XRUSFRYQSBPRCU-HUUCEWRRSA-N 1 0 319.449 3.756 20 5 DHBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000481186701 1034644949 /nfs/dbraw/zinc/64/49/49/1034644949.db2.gz IHHAMSPUIANXOE-JTNHKYCSSA-N 1 0 310.369 3.657 20 5 DHBDRO CCOC1CC(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193348461 1034841984 /nfs/dbraw/zinc/84/19/84/1034841984.db2.gz DDIGTZINQLHZIB-AUCFXJAVSA-N 1 0 318.417 3.767 20 5 DHBDRO Nc1ccc2cc3ccc(Nc4ccncc4F)cc3[nH+]c2c1 ZINC001175200542 1034846759 /nfs/dbraw/zinc/84/67/59/1034846759.db2.gz HJFHFKDNQLGUJR-UHFFFAOYSA-N 1 0 304.328 3.670 20 5 DHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000481578602 1034891213 /nfs/dbraw/zinc/89/12/13/1034891213.db2.gz UVMNCBODKINXCG-QXSJWSMHSA-N 1 0 319.449 3.612 20 5 DHBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000159853909 1035097138 /nfs/dbraw/zinc/09/71/38/1035097138.db2.gz OPYQIFAEESEBQP-SFHVURJKSA-N 1 0 311.385 3.944 20 5 DHBDRO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000482497685 1035119257 /nfs/dbraw/zinc/11/92/57/1035119257.db2.gz DCMFGLHOBNUPLW-KPZWWZAWSA-N 1 0 314.360 3.800 20 5 DHBDRO Cc1ccc([C@H](C)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000482630806 1035149967 /nfs/dbraw/zinc/14/99/67/1035149967.db2.gz MVVDWHQVVZKENP-XHSDSOJGSA-N 1 0 319.449 3.817 20 5 DHBDRO CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482947471 1035204710 /nfs/dbraw/zinc/20/47/10/1035204710.db2.gz KGSNXVDEYXTLQE-DOTOQJQBSA-N 1 0 319.449 3.818 20 5 DHBDRO CCC(CC)[N@H+](CCOC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042616370 1035228762 /nfs/dbraw/zinc/22/87/62/1035228762.db2.gz CVVJVKUVCYBDRU-UHFFFAOYSA-N 1 0 314.813 3.885 20 5 DHBDRO CCCC(O)(CCC)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000483301123 1035254510 /nfs/dbraw/zinc/25/45/10/1035254510.db2.gz ZWTAABVOCJZLRZ-CQSZACIVSA-N 1 0 308.422 3.885 20 5 DHBDRO Cc1nc2c(o1)CCC[C@H]2[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246421 1035295806 /nfs/dbraw/zinc/29/58/06/1035295806.db2.gz VDTGQFSIOQTMJV-SMDDNHRTSA-N 1 0 315.373 3.662 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cccc1[N+](=O)[O-] ZINC000484150435 1035321952 /nfs/dbraw/zinc/32/19/52/1035321952.db2.gz YTRIUCNVWZKVSY-YOEHRIQHSA-N 1 0 308.422 3.741 20 5 DHBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC001177683809 1035386832 /nfs/dbraw/zinc/38/68/32/1035386832.db2.gz VUKMYACKRWDMAA-UHFFFAOYSA-N 1 0 320.776 3.725 20 5 DHBDRO Cc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccn1 ZINC001178765885 1035446403 /nfs/dbraw/zinc/44/64/03/1035446403.db2.gz IVLVIEQUIPKKPZ-UHFFFAOYSA-N 1 0 323.352 3.848 20 5 DHBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001179193956 1035470575 /nfs/dbraw/zinc/47/05/75/1035470575.db2.gz OFALWSPVNMMMFV-SJORKVTESA-N 1 0 316.357 3.512 20 5 DHBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000190928067 1035643810 /nfs/dbraw/zinc/64/38/10/1035643810.db2.gz AQVCGGMMBDVVCH-STQMWFEESA-N 1 0 316.357 3.512 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)ccc1[N+](=O)[O-] ZINC000485470927 1035673216 /nfs/dbraw/zinc/67/32/16/1035673216.db2.gz AWEQJESSMCVJHS-GOSISDBHSA-N 1 0 316.401 3.926 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000386104490 1035682144 /nfs/dbraw/zinc/68/21/44/1035682144.db2.gz IUZBJVSLXPTISF-SJORKVTESA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001193664345 1035700765 /nfs/dbraw/zinc/70/07/65/1035700765.db2.gz YEXVTTSXZCXVAV-KGLIPLIRSA-N 1 0 306.406 3.778 20 5 DHBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001193664778 1035701079 /nfs/dbraw/zinc/70/10/79/1035701079.db2.gz ZVPBYTXPBZFXMA-FZMZJTMJSA-N 1 0 321.377 3.807 20 5 DHBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCC1(F)F ZINC001193742446 1035712670 /nfs/dbraw/zinc/71/26/70/1035712670.db2.gz BTPJUMZERXVRRE-CQSZACIVSA-N 1 0 312.360 3.895 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000539508634 1035760978 /nfs/dbraw/zinc/76/09/78/1035760978.db2.gz XFGQRTCUVZDOCG-CABCVRRESA-N 1 0 320.433 3.743 20 5 DHBDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC001194193313 1035872074 /nfs/dbraw/zinc/87/20/74/1035872074.db2.gz SMYRPZIGKZKIOO-JKSUJKDBSA-N 1 0 306.406 3.668 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCC2(CCC2)O1 ZINC001194262533 1035894271 /nfs/dbraw/zinc/89/42/71/1035894271.db2.gz PAWKJGCUKHUBDC-INIZCTEOSA-N 1 0 318.417 3.561 20 5 DHBDRO CS[C@@H]1CCCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000539900452 1035925361 /nfs/dbraw/zinc/92/53/61/1035925361.db2.gz SUOTXMLDHFUHAT-DDJMYBDESA-N 1 0 306.431 3.826 20 5 DHBDRO CCOc1cc(C[NH2+][C@H]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC001194579821 1035965942 /nfs/dbraw/zinc/96/59/42/1035965942.db2.gz UHXLXRKYZFNWLH-ZALBZXLWSA-N 1 0 304.390 3.662 20 5 DHBDRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000773974015 1036089591 /nfs/dbraw/zinc/08/95/91/1036089591.db2.gz CSRIPLOCVNWYJH-GUYCJALGSA-N 1 0 306.406 3.529 20 5 DHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000540589547 1036110565 /nfs/dbraw/zinc/11/05/65/1036110565.db2.gz ZLJAAQPEVKOCMM-OAHLLOKOSA-N 1 0 321.421 3.646 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000541568489 1036366974 /nfs/dbraw/zinc/36/69/74/1036366974.db2.gz SUDGBJUNFHTARZ-JSGCOSHPSA-N 1 0 324.446 3.930 20 5 DHBDRO CCCCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803256 1036422769 /nfs/dbraw/zinc/42/27/69/1036422769.db2.gz WDPXBDMWNRORGJ-AWEZNQCLSA-N 1 0 319.405 3.578 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271637187 1036429463 /nfs/dbraw/zinc/42/94/63/1036429463.db2.gz ZICYHRYYMBTONC-CPUCHLNUSA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCCCO1)CCC2 ZINC000193276051 1036460029 /nfs/dbraw/zinc/46/00/29/1036460029.db2.gz ZRHVRDYBXDNBPH-WBVHZDCISA-N 1 0 304.390 3.521 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCCCO1)CCC2 ZINC000193276033 1036460887 /nfs/dbraw/zinc/46/08/87/1036460887.db2.gz ZRHVRDYBXDNBPH-NVXWUHKLSA-N 1 0 304.390 3.521 20 5 DHBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000774618104 1036570011 /nfs/dbraw/zinc/57/00/11/1036570011.db2.gz JNGWLWZYKFPFMQ-CXAGYDPISA-N 1 0 314.389 3.536 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001183371853 1036586400 /nfs/dbraw/zinc/58/64/00/1036586400.db2.gz UVFWYIRPVLUDSM-HUTFFOLGSA-N 1 0 318.442 3.683 20 5 DHBDRO CC[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CCCC1 ZINC000774634406 1036595104 /nfs/dbraw/zinc/59/51/04/1036595104.db2.gz HLBBYRRIGWSERS-UHFFFAOYSA-N 1 0 322.796 3.820 20 5 DHBDRO CC[C@H](C)C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774628352 1036595950 /nfs/dbraw/zinc/59/59/50/1036595950.db2.gz UIKWATOKDMYMNT-JTQLQIEISA-N 1 0 310.785 3.533 20 5 DHBDRO CC(C)[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639747 1036605685 /nfs/dbraw/zinc/60/56/85/1036605685.db2.gz XYWXLUFFPIVTMP-NSHDSACASA-N 1 0 322.796 3.533 20 5 DHBDRO Cc1cccc(OCC[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000487681298 1036707917 /nfs/dbraw/zinc/70/79/17/1036707917.db2.gz YMGABLXDHFRZMZ-HNNXBMFYSA-N 1 0 314.385 3.975 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC001197221511 1036711944 /nfs/dbraw/zinc/71/19/44/1036711944.db2.gz RFXWLJDATHTDGD-OAHLLOKOSA-N 1 0 324.808 3.830 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCc2ccsc2C1 ZINC001184135909 1036746660 /nfs/dbraw/zinc/74/66/60/1036746660.db2.gz XGKPWHKAMIPWKG-UHFFFAOYSA-N 1 0 302.399 3.831 20 5 DHBDRO CCOc1cc(C[N@H+](C)Cc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000492419455 1036863568 /nfs/dbraw/zinc/86/35/68/1036863568.db2.gz VNCRJFJAVSVCQN-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO Cc1cc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001185159101 1037048076 /nfs/dbraw/zinc/04/80/76/1037048076.db2.gz SGUZSZFPDHDASF-LBPRGKRZSA-N 1 0 323.412 3.965 20 5 DHBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])cc1C(F)F ZINC001185467708 1037151471 /nfs/dbraw/zinc/15/14/71/1037151471.db2.gz UJHTZCVBPPQITN-UHFFFAOYSA-N 1 0 304.362 3.966 20 5 DHBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000774905737 1037198662 /nfs/dbraw/zinc/19/86/62/1037198662.db2.gz RFZYCSWDFPZYCI-UHFFFAOYSA-N 1 0 321.377 3.904 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000489154048 1037286785 /nfs/dbraw/zinc/28/67/85/1037286785.db2.gz OPLVABOBZXHURL-RDJZCZTQSA-N 1 0 317.433 3.524 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000776019952 1037335871 /nfs/dbraw/zinc/33/58/71/1037335871.db2.gz USVKGFQKFGPWLL-ROUUACIJSA-N 1 0 320.433 3.967 20 5 DHBDRO CCOCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000090722660 1037441678 /nfs/dbraw/zinc/44/16/78/1037441678.db2.gz WMMNTDBPOYUACV-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO COc1cc(C[NH2+]C2(c3ccccc3)CCC2)ccc1[N+](=O)[O-] ZINC000489990921 1037580646 /nfs/dbraw/zinc/58/06/46/1037580646.db2.gz SBWLTGWETJSCMA-UHFFFAOYSA-N 1 0 312.369 3.772 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000154020548 1037773367 /nfs/dbraw/zinc/77/33/67/1037773367.db2.gz XHHIPQQAJONJQQ-NOLJZWGESA-N 1 0 322.405 3.602 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC001201635146 1037799734 /nfs/dbraw/zinc/79/97/34/1037799734.db2.gz YYDPKGCXRXBEJE-OAHLLOKOSA-N 1 0 306.406 3.767 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC001201693640 1037866876 /nfs/dbraw/zinc/86/68/76/1037866876.db2.gz NQXYSLVZELZKHF-UHFFFAOYSA-N 1 0 310.806 3.950 20 5 DHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1(C)CC1 ZINC000494448917 1038106999 /nfs/dbraw/zinc/10/69/99/1038106999.db2.gz XKKQRVJCPXZKAP-VIFPVBQESA-N 1 0 302.296 3.892 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2Cc3ccccc3C2)c1 ZINC000222262758 1038160614 /nfs/dbraw/zinc/16/06/14/1038160614.db2.gz OYFZBLOEQQZNKR-UHFFFAOYSA-N 1 0 302.761 3.505 20 5 DHBDRO Cc1csc(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000157275577 1038283123 /nfs/dbraw/zinc/28/31/23/1038283123.db2.gz ILNVNKUXYPJAJF-ZDUSSCGKSA-N 1 0 319.430 3.952 20 5 DHBDRO CC[C@@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000775389824 1038321011 /nfs/dbraw/zinc/32/10/11/1038321011.db2.gz HSECXJNQKBELEL-GOSISDBHSA-N 1 0 314.385 3.889 20 5 DHBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000572319489 1038357506 /nfs/dbraw/zinc/35/75/06/1038357506.db2.gz XBQBCTREPBBWEY-GFCCVEGCSA-N 1 0 301.390 3.787 20 5 DHBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC001190643072 1038361304 /nfs/dbraw/zinc/36/13/04/1038361304.db2.gz IOKNOCJTTGRDGG-MRXNPFEDSA-N 1 0 320.437 3.535 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](F)C3)o2)cc1 ZINC000588930267 1038408955 /nfs/dbraw/zinc/40/89/55/1038408955.db2.gz STOGQOOTEKDCPD-OLZOCXBDSA-N 1 0 304.321 3.835 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC001190975696 1038412223 /nfs/dbraw/zinc/41/22/23/1038412223.db2.gz GPMSBKCOSDWAJX-SFHVURJKSA-N 1 0 316.401 3.926 20 5 DHBDRO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000589515132 1038498005 /nfs/dbraw/zinc/49/80/05/1038498005.db2.gz DADBYUOSZHPTBC-WCQYABFASA-N 1 0 314.389 3.553 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000589521537 1038500279 /nfs/dbraw/zinc/50/02/79/1038500279.db2.gz FKXZXJHDGVBWRJ-CRAIPNDOSA-N 1 0 324.380 3.593 20 5 DHBDRO CC1(C)CCC[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC001191683628 1038533260 /nfs/dbraw/zinc/53/32/60/1038533260.db2.gz ZOBQQJQSWKGOKX-QGZVFWFLSA-N 1 0 318.417 3.907 20 5 DHBDRO C[NH+](C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000057139520 1038572936 /nfs/dbraw/zinc/57/29/36/1038572936.db2.gz MOXKIJORUCKQFT-OAHLLOKOSA-N 1 0 321.327 3.588 20 5 DHBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001192173262 1038597990 /nfs/dbraw/zinc/59/79/90/1038597990.db2.gz HLALPGJZLCQODO-RHSMWYFYSA-N 1 0 306.406 3.874 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@@H]2CC2(F)F)o1 ZINC000598646193 1038806704 /nfs/dbraw/zinc/80/67/04/1038806704.db2.gz CRRYSUWDSNMDCN-LLVKDONJSA-N 1 0 322.311 3.990 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000598677646 1038818003 /nfs/dbraw/zinc/81/80/03/1038818003.db2.gz QSRSWFCOUFBKNE-QEJZJMRPSA-N 1 0 324.371 3.941 20 5 DHBDRO CC(C)Oc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000058093464 1038917855 /nfs/dbraw/zinc/91/78/55/1038917855.db2.gz NQLFABVDBXONIL-UHFFFAOYSA-N 1 0 314.385 3.714 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1 ZINC000598989611 1038965956 /nfs/dbraw/zinc/96/59/56/1038965956.db2.gz NTTSNTHFCVPKGU-IXDOHACOSA-N 1 0 314.772 3.676 20 5 DHBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000599016333 1038998851 /nfs/dbraw/zinc/99/88/51/1038998851.db2.gz QLIGFSSMLDHFIC-HAQNSBGRSA-N 1 0 318.398 3.590 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCCOC1)CCCC2 ZINC000599058083 1039014920 /nfs/dbraw/zinc/01/49/20/1039014920.db2.gz QQVVOQBVYJPOFU-RDTXWAMCSA-N 1 0 318.417 3.769 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000599074720 1039027547 /nfs/dbraw/zinc/02/75/47/1039027547.db2.gz VULMAWYWUKUFDO-GDBMZVCRSA-N 1 0 317.433 3.571 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C2(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000593725865 1039116401 /nfs/dbraw/zinc/11/64/01/1039116401.db2.gz ZMUUCNHBTDCOGH-LBPRGKRZSA-N 1 0 304.390 3.977 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592181767 1039164021 /nfs/dbraw/zinc/16/40/21/1039164021.db2.gz HUXBUABTYYJEOY-KBPBESRZSA-N 1 0 304.390 3.547 20 5 DHBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000592374382 1039169821 /nfs/dbraw/zinc/16/98/21/1039169821.db2.gz DIDUNRZGPVTLJQ-JKUMZLIPSA-N 1 0 304.390 3.544 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)F ZINC000592392228 1039175806 /nfs/dbraw/zinc/17/58/06/1039175806.db2.gz IYFGKZTZTICUKI-RISCZKNCSA-N 1 0 312.360 3.797 20 5 DHBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592380668 1039184279 /nfs/dbraw/zinc/18/42/79/1039184279.db2.gz OJMNQEQMMALFDO-XHDPSFHLSA-N 1 0 318.398 3.838 20 5 DHBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000603847239 1039184650 /nfs/dbraw/zinc/18/46/50/1039184650.db2.gz KRFHLEZWGCYHIN-OWCLPIDISA-N 1 0 318.417 3.874 20 5 DHBDRO CC(C)C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000592387466 1039186948 /nfs/dbraw/zinc/18/69/48/1039186948.db2.gz GSOKATZHRVMFSR-QGZVFWFLSA-N 1 0 313.401 3.909 20 5 DHBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000603854125 1039189819 /nfs/dbraw/zinc/18/98/19/1039189819.db2.gz QZMXGYFISWVGPW-NEPJUHHUSA-N 1 0 311.813 3.923 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C ZINC000573985076 1039193434 /nfs/dbraw/zinc/19/34/34/1039193434.db2.gz MPOFCJAKOXCHFV-ZJUUUORDSA-N 1 0 302.296 3.844 20 5 DHBDRO Cc1cc(NCCCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000603860148 1039206589 /nfs/dbraw/zinc/20/65/89/1039206589.db2.gz SDHPUQYJRCEEII-CQSZACIVSA-N 1 0 305.422 3.827 20 5 DHBDRO C[C@@H](C1CC1)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000604012347 1039279078 /nfs/dbraw/zinc/27/90/78/1039279078.db2.gz YSACRBOKQFKNOT-ZDUSSCGKSA-N 1 0 304.390 3.627 20 5 DHBDRO Cc1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1[N+](=O)[O-] ZINC000574143911 1039417805 /nfs/dbraw/zinc/41/78/05/1039417805.db2.gz DNGVZJDFHRTHGB-KRWDZBQOSA-N 1 0 318.417 3.827 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594517304 1039822655 /nfs/dbraw/zinc/82/26/55/1039822655.db2.gz APNZDCQXXZMHKB-ZVZYQTTQSA-N 1 0 317.433 3.571 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594519309 1039831198 /nfs/dbraw/zinc/83/11/98/1039831198.db2.gz JOEQMHTUSGFDFD-YESZJQIVSA-N 1 0 306.406 3.983 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594612901 1039875607 /nfs/dbraw/zinc/87/56/07/1039875607.db2.gz OUBJFSDCZQVKRV-IMXKFXGHSA-N 1 0 316.401 3.642 20 5 DHBDRO Cc1cc[nH+]c(NCc2ccc([N+](=O)[O-])cc2F)c1C1CC1 ZINC000594741729 1039906967 /nfs/dbraw/zinc/90/69/67/1039906967.db2.gz COPRPGTUNVSPMP-UHFFFAOYSA-N 1 0 301.321 3.927 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000594978678 1039951831 /nfs/dbraw/zinc/95/18/31/1039951831.db2.gz VHBYFWTXNGWZEA-AWEZNQCLSA-N 1 0 314.332 3.519 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000059394334 1039958042 /nfs/dbraw/zinc/95/80/42/1039958042.db2.gz TZTOMMFMKOSGJE-MRXNPFEDSA-N 1 0 321.327 3.588 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000595018075 1039981819 /nfs/dbraw/zinc/98/18/19/1039981819.db2.gz PRSOFWOPOWZOBH-NEPJUHHUSA-N 1 0 320.414 3.947 20 5 DHBDRO CCOC1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000595025496 1039995938 /nfs/dbraw/zinc/99/59/38/1039995938.db2.gz IJMHHDATFKFYGC-IUDNXUCKSA-N 1 0 306.406 3.902 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1ccco1 ZINC000594996341 1040010317 /nfs/dbraw/zinc/01/03/17/1040010317.db2.gz AWNACSFCWFWHGF-KAMYIIQDSA-N 1 0 300.358 3.814 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000595044474 1040047485 /nfs/dbraw/zinc/04/74/85/1040047485.db2.gz JDMXLCMTCNDEGN-BZPMIXESSA-N 1 0 322.405 3.600 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1noc2ccccc12 ZINC000595049808 1040050878 /nfs/dbraw/zinc/05/08/78/1040050878.db2.gz OZCJHGXTLZKXDA-OAHLLOKOSA-N 1 0 323.352 3.556 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595052820 1040052923 /nfs/dbraw/zinc/05/29/23/1040052923.db2.gz AOJXKVNSXFKLEO-HZPDHXFCSA-N 1 0 305.422 3.508 20 5 DHBDRO CC1(C)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000574885319 1040056890 /nfs/dbraw/zinc/05/68/90/1040056890.db2.gz ONUDNKZSOCGQEL-UHFFFAOYSA-N 1 0 302.296 3.988 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000595104717 1040065993 /nfs/dbraw/zinc/06/59/93/1040065993.db2.gz SJCCDVDWJGEIBG-IYOUNJFTSA-N 1 0 314.385 3.676 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595329913 1040099910 /nfs/dbraw/zinc/09/99/10/1040099910.db2.gz DOVPNIQCTLYIRM-ZIAGYGMSSA-N 1 0 312.410 3.840 20 5 DHBDRO C[C@@H](c1ccc(Cl)cc1)N(Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000063125178 1040120782 /nfs/dbraw/zinc/12/07/82/1040120782.db2.gz MOQXPWGMPWZZDP-NSHDSACASA-N 1 0 320.780 3.628 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000595354350 1040123651 /nfs/dbraw/zinc/12/36/51/1040123651.db2.gz SUNVCEOFSALTNV-UHFFFAOYSA-N 1 0 300.333 3.903 20 5 DHBDRO CC(C)[N@H+](CCc1nccs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595390562 1040130873 /nfs/dbraw/zinc/13/08/73/1040130873.db2.gz YPTOMNUSQONXAT-UHFFFAOYSA-N 1 0 323.393 3.644 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)C2CCC(F)CC2)ccc1[N+](=O)[O-] ZINC000595821110 1040248479 /nfs/dbraw/zinc/24/84/79/1040248479.db2.gz WYFORWIUVWQGDE-LMWSTFAQSA-N 1 0 310.369 3.610 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595785287 1040256068 /nfs/dbraw/zinc/25/60/68/1040256068.db2.gz DACGJCBYMJMLSA-PBHICJAKSA-N 1 0 322.380 3.515 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2ccon2)CC1 ZINC000595829430 1040266090 /nfs/dbraw/zinc/26/60/90/1040266090.db2.gz UKOYWYISAXNZQE-ZDUSSCGKSA-N 1 0 315.373 3.832 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000595909679 1040273309 /nfs/dbraw/zinc/27/33/09/1040273309.db2.gz BMXJWPWROKHWEQ-UHFFFAOYSA-N 1 0 308.381 3.758 20 5 DHBDRO C[N@H+](CCCCNc1ccc(C(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000596260852 1040362660 /nfs/dbraw/zinc/36/26/60/1040362660.db2.gz MBJYECKGTZELIO-UHFFFAOYSA-N 1 0 313.348 3.819 20 5 DHBDRO Cc1ncc(-c2cccc(C[N@H+]3CCC[C@@H]3C)c2)cc1[N+](=O)[O-] ZINC000596630361 1040528682 /nfs/dbraw/zinc/52/86/82/1040528682.db2.gz PWYGDDZUNSYXKO-ZDUSSCGKSA-N 1 0 311.385 3.950 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000597224048 1040702052 /nfs/dbraw/zinc/70/20/52/1040702052.db2.gz CNHXEGLQNZRTQK-WMZOPIPTSA-N 1 0 318.417 3.684 20 5 DHBDRO CC[C@@H](C)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602438582 1041032924 /nfs/dbraw/zinc/03/29/24/1041032924.db2.gz FXAAJCJGGRIJPH-SSDOTTSWSA-N 1 0 307.213 3.649 20 5 DHBDRO CCC(C)(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602534706 1041093558 /nfs/dbraw/zinc/09/35/58/1041093558.db2.gz PUDVHXKTFLCQNN-UHFFFAOYSA-N 1 0 307.213 3.697 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC(c4ccccc4)C3)nc2c1 ZINC000602560065 1041095142 /nfs/dbraw/zinc/09/51/42/1041095142.db2.gz BAGVEEKNFQOIRX-UHFFFAOYSA-N 1 0 323.352 3.772 20 5 DHBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602588671 1041105876 /nfs/dbraw/zinc/10/58/76/1041105876.db2.gz ODGULEBFMSCTGU-WMZOPIPTSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC1(F)F ZINC000602639415 1041139513 /nfs/dbraw/zinc/13/95/13/1041139513.db2.gz IMVPLNKRTGXYEO-RDDDGLTNSA-N 1 0 324.249 3.747 20 5 DHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC1(F)F ZINC000602639413 1041140210 /nfs/dbraw/zinc/14/02/10/1041140210.db2.gz IMVPLNKRTGXYEO-CPCISQLKSA-N 1 0 324.249 3.747 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000090527810 185300710 /nfs/dbraw/zinc/30/07/10/185300710.db2.gz FMOIEZSJIFVZGK-SJKOYZFVSA-N 1 0 316.405 3.688 20 5 DHBDRO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000103172016 185436716 /nfs/dbraw/zinc/43/67/16/185436716.db2.gz MKCQTYNSIIMGLW-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000186753927 200004580 /nfs/dbraw/zinc/00/45/80/200004580.db2.gz SRCXHKPDLCYHPZ-BXUZGUMPSA-N 1 0 305.403 3.896 20 5 DHBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000042553891 183283937 /nfs/dbraw/zinc/28/39/37/183283937.db2.gz LVEPZFOKAIFUQB-UWVGGRQHSA-N 1 0 315.211 3.882 20 5 DHBDRO COc1cccc(C2([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000272176901 130005497 /nfs/dbraw/zinc/00/54/97/130005497.db2.gz FBMUAMKNHXNAJJ-ZDUSSCGKSA-N 1 0 312.369 3.943 20 5 DHBDRO COCC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000272587341 130043040 /nfs/dbraw/zinc/04/30/40/130043040.db2.gz RLGYVGVPHWYCPT-ZFWWWQNUSA-N 1 0 318.373 3.925 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000272600605 130045758 /nfs/dbraw/zinc/04/57/58/130045758.db2.gz IXXARQUYVAMCDR-SECBINFHSA-N 1 0 311.794 3.598 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000273354890 130110949 /nfs/dbraw/zinc/11/09/49/130110949.db2.gz BTWWZYUWDZIYQJ-HOCLYGCPSA-N 1 0 306.406 3.587 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCc2cccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000278989424 130730072 /nfs/dbraw/zinc/73/00/72/130730072.db2.gz DQKDAQASNIXSIE-QGZVFWFLSA-N 1 0 311.385 3.545 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000279018471 130730879 /nfs/dbraw/zinc/73/08/79/130730879.db2.gz HLYCHYXAGUTOFV-XNJGSVPQSA-N 1 0 318.417 3.722 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCOCC2)CC1 ZINC000284855394 131115919 /nfs/dbraw/zinc/11/59/19/131115919.db2.gz UGPASQNOLLNTFJ-CQSZACIVSA-N 1 0 304.390 3.548 20 5 DHBDRO Cc1c(C[N@@H+]2CCC=C(c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000289392000 131381524 /nfs/dbraw/zinc/38/15/24/131381524.db2.gz RBLXHRYBDFCFQK-UHFFFAOYSA-N 1 0 309.369 3.588 20 5 DHBDRO CC[C@H]([NH2+]C1CCC(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000295868792 131926001 /nfs/dbraw/zinc/92/60/01/131926001.db2.gz XFBYIIUOOQEFHH-PGEKIEPBSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298273713 132053761 /nfs/dbraw/zinc/05/37/61/132053761.db2.gz NYOKAOYRFMKSCU-TUKIKUTGSA-N 1 0 310.344 3.941 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000119768494 132136770 /nfs/dbraw/zinc/13/67/70/132136770.db2.gz YTGSRMJIAWHQMP-HNNXBMFYSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000525870375 335071341 /nfs/dbraw/zinc/07/13/41/335071341.db2.gz XSYHEZBMSRUWAZ-CYBMUJFWSA-N 1 0 318.348 3.506 20 5 DHBDRO Cc1cc(NC[C@H](C(C)C)[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000470867894 435135104 /nfs/dbraw/zinc/13/51/04/435135104.db2.gz VYXXGWLIFSMXES-OAHLLOKOSA-N 1 0 320.437 3.611 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000174025842 332843640 /nfs/dbraw/zinc/84/36/40/332843640.db2.gz NQOATPFZIPBDPS-MRXNPFEDSA-N 1 0 303.362 3.831 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000556505302 331709140 /nfs/dbraw/zinc/70/91/40/331709140.db2.gz HPOGEMNXXZJSLO-UHFFFAOYSA-N 1 0 302.296 3.759 20 5 DHBDRO C[C@@H](c1ccccc1F)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000520059596 332052917 /nfs/dbraw/zinc/05/29/17/332052917.db2.gz UGIXQMRNGHUCIE-ZDUSSCGKSA-N 1 0 318.348 3.806 20 5 DHBDRO CCOCCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000569378487 332070248 /nfs/dbraw/zinc/07/02/48/332070248.db2.gz SPIFRXXJVOEZCG-INIZCTEOSA-N 1 0 318.417 3.769 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448024645 332190954 /nfs/dbraw/zinc/19/09/54/332190954.db2.gz ZONLQPIKADRSLD-YOEHRIQHSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448024643 332191002 /nfs/dbraw/zinc/19/10/02/332191002.db2.gz ZONLQPIKADRSLD-RHSMWYFYSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCO)C1CCCCC1 ZINC000560319933 332330181 /nfs/dbraw/zinc/33/01/81/332330181.db2.gz JFPMFIJMWMDNMT-KBXCAEBGSA-N 1 0 320.433 3.885 20 5 DHBDRO CC(C)OCCC[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000560554631 332359428 /nfs/dbraw/zinc/35/94/28/332359428.db2.gz CSJTUKVIGNIXNG-UHFFFAOYSA-N 1 0 308.422 3.965 20 5 DHBDRO CCC[C@H](CCO)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000323184195 332388980 /nfs/dbraw/zinc/38/89/80/332388980.db2.gz FTRIOKHLXCEBRK-CYBMUJFWSA-N 1 0 317.389 3.662 20 5 DHBDRO CC(C)([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000562925373 332644200 /nfs/dbraw/zinc/64/42/00/332644200.db2.gz DLHQVABFWUGAQZ-AWEZNQCLSA-N 1 0 318.417 3.911 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000305139614 333003579 /nfs/dbraw/zinc/00/35/79/333003579.db2.gz LWMGBAZORACYEJ-XYPHTWIQSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180266256 333027512 /nfs/dbraw/zinc/02/75/12/333027512.db2.gz QDIWPFJUWXEJKS-DLBZAZTESA-N 1 0 306.406 3.985 20 5 DHBDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000378889943 333060517 /nfs/dbraw/zinc/06/05/17/333060517.db2.gz KPVIRZRNJMZVRK-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccc3ncccc3c2)cccc1[N+](=O)[O-] ZINC000323375223 333081343 /nfs/dbraw/zinc/08/13/43/333081343.db2.gz OBIMBEVJIZMGPD-UHFFFAOYSA-N 1 0 307.353 3.741 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319086880 333254895 /nfs/dbraw/zinc/25/48/95/333254895.db2.gz QHMXZUMZJVICBJ-JKSUJKDBSA-N 1 0 308.422 3.823 20 5 DHBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000365015578 333334475 /nfs/dbraw/zinc/33/44/75/333334475.db2.gz COBYBFWUWSFTJT-KRWDZBQOSA-N 1 0 311.385 3.542 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C(C)(C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000531444501 333354036 /nfs/dbraw/zinc/35/40/36/333354036.db2.gz FCHGYXLDDBUDJM-UHFFFAOYSA-N 1 0 308.422 3.605 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000521425843 333380851 /nfs/dbraw/zinc/38/08/51/333380851.db2.gz NMBUCXKUCJEPDT-SFHVURJKSA-N 1 0 314.360 3.941 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000463493454 333381173 /nfs/dbraw/zinc/38/11/73/333381173.db2.gz LJJWIVSKZOWCLO-YPMHNXCESA-N 1 0 310.369 3.753 20 5 DHBDRO COc1ccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000531676875 333543733 /nfs/dbraw/zinc/54/37/33/333543733.db2.gz FAOOFJVOXADCNN-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cccc(F)c1 ZINC000531689096 333545035 /nfs/dbraw/zinc/54/50/35/333545035.db2.gz STWBDCMKSAALCJ-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cccc(F)c1 ZINC000531689097 333545102 /nfs/dbraw/zinc/54/51/02/333545102.db2.gz STWBDCMKSAALCJ-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411943304 333714601 /nfs/dbraw/zinc/71/46/01/333714601.db2.gz IUMZJIIJGULSOE-MEBBXXQBSA-N 1 0 312.797 3.541 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000414107842 333897519 /nfs/dbraw/zinc/89/75/19/333897519.db2.gz ZGNRGQQHCHSQRO-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[C@H]1C ZINC000414150128 333903621 /nfs/dbraw/zinc/90/36/21/333903621.db2.gz PBHCXTHZVOBCSO-VYUIOLGVSA-N 1 0 302.296 3.748 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414266911 333930454 /nfs/dbraw/zinc/93/04/54/333930454.db2.gz MOOZGDMKVZHTSG-QWRGUYRKSA-N 1 0 304.312 3.704 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)OCC1CC1 ZINC000414499928 333998827 /nfs/dbraw/zinc/99/88/27/333998827.db2.gz DEVJDQAHPANBSH-NTEUORMPSA-N 1 0 318.417 3.793 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC000276489954 334079762 /nfs/dbraw/zinc/07/97/62/334079762.db2.gz HMUYPYBANIUQBS-ZDUSSCGKSA-N 1 0 316.405 3.574 20 5 DHBDRO CC(C)c1ccc([C@H]([NH3+])CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414849512 334121853 /nfs/dbraw/zinc/12/18/53/334121853.db2.gz RKIPWUSFDQPNMZ-GOSISDBHSA-N 1 0 313.401 3.508 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000414915366 334176915 /nfs/dbraw/zinc/17/69/15/334176915.db2.gz MKZNFAPACITOAH-KRWDZBQOSA-N 1 0 311.385 3.653 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccccc1F ZINC000531947999 334302821 /nfs/dbraw/zinc/30/28/21/334302821.db2.gz FRHQENJYOIUEOB-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1([NH+](C)C)CCCCC1 ZINC000531947550 334305328 /nfs/dbraw/zinc/30/53/28/334305328.db2.gz COJOIOVPOQCQRI-OAHLLOKOSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1([NH+](C)C)CCCCC1 ZINC000531947549 334305402 /nfs/dbraw/zinc/30/54/02/334305402.db2.gz COJOIOVPOQCQRI-HNNXBMFYSA-N 1 0 319.449 3.818 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccs1 ZINC000049530721 334345660 /nfs/dbraw/zinc/34/56/60/334345660.db2.gz VVCJMMVKCMRDTB-ZDUSSCGKSA-N 1 0 306.387 3.906 20 5 DHBDRO C[C@H](c1cccc(F)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535245732 334381985 /nfs/dbraw/zinc/38/19/85/334381985.db2.gz DYBJWVASEQXLSD-GFCCVEGCSA-N 1 0 300.333 3.853 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000341354611 334440296 /nfs/dbraw/zinc/44/02/96/334440296.db2.gz QBRMTUCWURECAU-CQSZACIVSA-N 1 0 319.336 3.576 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccccn2)CC1 ZINC000366797670 334598681 /nfs/dbraw/zinc/59/86/81/334598681.db2.gz RAIHFAHLDUKJJA-AWEZNQCLSA-N 1 0 311.385 3.930 20 5 DHBDRO CCCC[N@H+](C)C[C@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000344133039 335220473 /nfs/dbraw/zinc/22/04/73/335220473.db2.gz YADMWVFXOLYFSB-WMLDXEAASA-N 1 0 307.438 3.756 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000344793095 335277752 /nfs/dbraw/zinc/27/77/52/335277752.db2.gz VHLSTONRDVMRIR-INIZCTEOSA-N 1 0 316.405 3.514 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1sc(C)nc1C ZINC000344882708 335282624 /nfs/dbraw/zinc/28/26/24/335282624.db2.gz XRYUOIIKYVXTGF-YRNVUSSQSA-N 1 0 317.414 3.861 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(C)c(C)s1 ZINC000344982981 335292830 /nfs/dbraw/zinc/29/28/30/335292830.db2.gz PNYWFNDPOSJDKI-XFFZJAGNSA-N 1 0 317.414 3.861 20 5 DHBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000444680940 338481932 /nfs/dbraw/zinc/48/19/32/338481932.db2.gz RVQOUHYCRGZNEL-NSHDSACASA-N 1 0 316.386 3.774 20 5 DHBDRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000583591818 335752709 /nfs/dbraw/zinc/75/27/09/335752709.db2.gz HGSWNQPNQLCYGT-VXGBXAGGSA-N 1 0 304.394 3.776 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ccoc1 ZINC000179137102 335946436 /nfs/dbraw/zinc/94/64/36/335946436.db2.gz BBLIIOHCMAWRRN-GOEBONIOSA-N 1 0 300.358 3.689 20 5 DHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000445895107 338514800 /nfs/dbraw/zinc/51/48/00/338514800.db2.gz SGZUYNSUZIZRIH-CYBMUJFWSA-N 1 0 320.311 3.540 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000332317062 336168074 /nfs/dbraw/zinc/16/80/74/336168074.db2.gz MWTWDSWNRDVVPW-STQMWFEESA-N 1 0 317.414 3.992 20 5 DHBDRO C[C@H]1CCC[C@@H](CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000332339423 336169177 /nfs/dbraw/zinc/16/91/77/336169177.db2.gz VIGGPVVQTZUSGH-GJZGRUSLSA-N 1 0 320.437 3.645 20 5 DHBDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000352609238 336226639 /nfs/dbraw/zinc/22/66/39/336226639.db2.gz SALKKCBUKOQYLW-LLVKDONJSA-N 1 0 300.399 3.697 20 5 DHBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000352609044 336226671 /nfs/dbraw/zinc/22/66/71/336226671.db2.gz QNDMCYUZANMGQY-HOTGVXAUSA-N 1 0 322.380 3.513 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000532584485 336256446 /nfs/dbraw/zinc/25/64/46/336256446.db2.gz YNXGYVHIORBQMZ-HNNXBMFYSA-N 1 0 317.433 3.606 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000037493069 336262996 /nfs/dbraw/zinc/26/29/96/336262996.db2.gz YOLPPKSJKMEBJW-UHFFFAOYSA-N 1 0 321.174 3.647 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000526953178 336276346 /nfs/dbraw/zinc/27/63/46/336276346.db2.gz MUYIMCXIRYBRQO-UHFFFAOYSA-N 1 0 323.824 3.703 20 5 DHBDRO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000481756522 336279555 /nfs/dbraw/zinc/27/95/55/336279555.db2.gz NMVGVPINYXDSMP-ZWNOBZJWSA-N 1 0 302.296 3.758 20 5 DHBDRO CCC(CC)(CCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192922295 336284341 /nfs/dbraw/zinc/28/43/41/336284341.db2.gz SIAJWQPUMUAVHB-KRWDZBQOSA-N 1 0 320.433 3.751 20 5 DHBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000301061260 336287875 /nfs/dbraw/zinc/28/78/75/336287875.db2.gz DYGBRDOOCCXALM-CYBMUJFWSA-N 1 0 316.405 3.531 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000301272225 336298000 /nfs/dbraw/zinc/29/80/00/336298000.db2.gz JWVWAIZEXMFETB-HOTGVXAUSA-N 1 0 317.433 3.686 20 5 DHBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301606750 336318021 /nfs/dbraw/zinc/31/80/21/336318021.db2.gz NGNJIPKFPRFBRK-GFCCVEGCSA-N 1 0 311.813 3.638 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000301770547 336328719 /nfs/dbraw/zinc/32/87/19/336328719.db2.gz DGUQOWDDKOZDHW-UHFFFAOYSA-N 1 0 317.433 3.687 20 5 DHBDRO O=[N+]([O-])c1ccccc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000301789924 336330032 /nfs/dbraw/zinc/33/00/32/336330032.db2.gz MUQIFYUBOAJESV-UHFFFAOYSA-N 1 0 317.433 3.687 20 5 DHBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000301842159 336333668 /nfs/dbraw/zinc/33/36/68/336333668.db2.gz QBKOTKDIDHLHIL-DLBZAZTESA-N 1 0 315.348 3.591 20 5 DHBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301896834 336336867 /nfs/dbraw/zinc/33/68/67/336336867.db2.gz VBLMYUHMYLSEQT-UHFFFAOYSA-N 1 0 321.421 3.668 20 5 DHBDRO CC1CC[NH+](C[C@H]2CCCN(c3sccc3[N+](=O)[O-])C2)CC1 ZINC000301976531 336340950 /nfs/dbraw/zinc/34/09/50/336340950.db2.gz CMRIBCMIOWKLMH-CQSZACIVSA-N 1 0 323.462 3.605 20 5 DHBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301983574 336341294 /nfs/dbraw/zinc/34/12/94/336341294.db2.gz KDNBKUAASWABFD-CYBMUJFWSA-N 1 0 323.824 3.621 20 5 DHBDRO Cc1ccc([C@@H](CNc2sccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000301999437 336342363 /nfs/dbraw/zinc/34/23/63/336342363.db2.gz RCSFVMIERIMMND-CYBMUJFWSA-N 1 0 321.402 3.807 20 5 DHBDRO CC[C@@H](C)[C@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302186012 336353048 /nfs/dbraw/zinc/35/30/48/336353048.db2.gz PGYFXIPXPOMTCL-PIGZYNQJSA-N 1 0 317.389 3.660 20 5 DHBDRO Cc1cc(N2CCS[C@@H](C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302739752 336367275 /nfs/dbraw/zinc/36/72/75/336367275.db2.gz QEBUCEKFTXVNOJ-LBPRGKRZSA-N 1 0 317.414 3.783 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000302743497 336367557 /nfs/dbraw/zinc/36/75/57/336367557.db2.gz DNLHJRGGYAHUTE-CYBMUJFWSA-N 1 0 323.824 3.560 20 5 DHBDRO CCC[NH+]1CCC(Nc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302829061 336371104 /nfs/dbraw/zinc/37/11/04/336371104.db2.gz OVPRNTKDPCAROH-UHFFFAOYSA-N 1 0 311.813 3.843 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)Cc2ccccc2F)cccc1[N+](=O)[O-] ZINC000389497277 336396471 /nfs/dbraw/zinc/39/64/71/336396471.db2.gz UNKZCGSMTRAOPV-LBPRGKRZSA-N 1 0 302.349 3.763 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(C(F)(F)F)CC1)CCC2 ZINC000353948431 336450629 /nfs/dbraw/zinc/45/06/29/336450629.db2.gz UQNWXDYDTFRTRI-ZDUSSCGKSA-N 1 0 314.307 3.904 20 5 DHBDRO CSCCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000357689622 336594642 /nfs/dbraw/zinc/59/46/42/336594642.db2.gz XJLQODIJFHLBQP-UHFFFAOYSA-N 1 0 305.403 3.641 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1nc(C)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000357776945 336597756 /nfs/dbraw/zinc/59/77/56/336597756.db2.gz FRYQIZZFYSACEM-QGZVFWFLSA-N 1 0 317.389 3.873 20 5 DHBDRO CCC[C@H]([NH2+][C@H](CC)C[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000361812536 336774042 /nfs/dbraw/zinc/77/40/42/336774042.db2.gz MLYLMKWFPOFQBO-UNEWFSDZSA-N 1 0 308.422 3.823 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000582434636 336977580 /nfs/dbraw/zinc/97/75/80/336977580.db2.gz FDKGZHQFIUXXFA-ARLBYUKCSA-N 1 0 306.381 3.786 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCOCC2)s1 ZINC000376507048 337035278 /nfs/dbraw/zinc/03/52/78/337035278.db2.gz SXKNKKAHGAUTIS-UHFFFAOYSA-N 1 0 318.398 3.546 20 5 DHBDRO CSC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000193802215 337080216 /nfs/dbraw/zinc/08/02/16/337080216.db2.gz QZGNBOTTXBNSLM-OAHLLOKOSA-N 1 0 306.431 3.848 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000582762767 337138175 /nfs/dbraw/zinc/13/81/75/337138175.db2.gz MXGKBGQEWGKBHK-LKQDWFRTSA-N 1 0 318.417 3.863 20 5 DHBDRO CC[N@H+](CCc1nccs1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182931526 337190694 /nfs/dbraw/zinc/19/06/94/337190694.db2.gz NHDWDIRKVJTFCU-CYBMUJFWSA-N 1 0 319.430 3.985 20 5 DHBDRO Cc1c(CNc2ccncc2Br)cccc1[N+](=O)[O-] ZINC000231869263 337278368 /nfs/dbraw/zinc/27/83/68/337278368.db2.gz CRTGRJKOBPTSGN-UHFFFAOYSA-N 1 0 322.162 3.673 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000584552525 337360386 /nfs/dbraw/zinc/36/03/86/337360386.db2.gz GLEUHMDORNGLFY-CQSZACIVSA-N 1 0 308.447 3.951 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000580412317 337398686 /nfs/dbraw/zinc/39/86/86/337398686.db2.gz RMQYDCQJWGCGFH-WMLDXEAASA-N 1 0 318.417 3.910 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000421198025 337524638 /nfs/dbraw/zinc/52/46/38/337524638.db2.gz IIVMZFWBRRJVLO-GXTWGEPZSA-N 1 0 306.431 3.779 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1NC1CC([NH+]2CCCCC2)C1 ZINC000432148679 337524713 /nfs/dbraw/zinc/52/47/13/337524713.db2.gz NVKPLDPMCFNBPP-UHFFFAOYSA-N 1 0 309.797 3.677 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000248706182 337566813 /nfs/dbraw/zinc/56/68/13/337566813.db2.gz HQUNHWIFQGLCRD-JFOHDYCDSA-N 1 0 316.401 3.511 20 5 DHBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000421853313 337650138 /nfs/dbraw/zinc/65/01/38/337650138.db2.gz IWUSPVDCXSFHDM-YXJHDRRASA-N 1 0 318.417 3.910 20 5 DHBDRO Cc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc(C)n1 ZINC000421849264 337654835 /nfs/dbraw/zinc/65/48/35/337654835.db2.gz BQMNYPKFOIERSF-SFHVURJKSA-N 1 0 311.385 3.774 20 5 DHBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089909529 337875589 /nfs/dbraw/zinc/87/55/89/337875589.db2.gz JUUXEONIOMPBTQ-RYUDHWBXSA-N 1 0 301.346 3.623 20 5 DHBDRO CC(C)COc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000060526975 337913882 /nfs/dbraw/zinc/91/38/82/337913882.db2.gz GCCRAHHOSSCPIN-UHFFFAOYSA-N 1 0 314.385 3.919 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1Cc3ccccc3C1)CCC2 ZINC000515979388 338001900 /nfs/dbraw/zinc/00/19/00/338001900.db2.gz CEZBRHLNAAFRIG-LJQANCHMSA-N 1 0 308.381 3.729 20 5 DHBDRO COc1cc(C[N@H+](C)Cc2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000428715279 338059213 /nfs/dbraw/zinc/05/92/13/338059213.db2.gz FQIZENIHWWVCNH-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000428867792 338063400 /nfs/dbraw/zinc/06/34/00/338063400.db2.gz PZTYLZWRBWVZAT-UHFFFAOYSA-N 1 0 316.304 3.965 20 5 DHBDRO CCOc1cc(C[NH+](C2CCC2)C2CCC2)ccc1[N+](=O)[O-] ZINC000429142717 338071748 /nfs/dbraw/zinc/07/17/48/338071748.db2.gz NUDUPFJTMXSTPD-UHFFFAOYSA-N 1 0 304.390 3.901 20 5 DHBDRO COc1ccc(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429253474 338075008 /nfs/dbraw/zinc/07/50/08/338075008.db2.gz IKCBXLMEUXRHDB-UHFFFAOYSA-N 1 0 314.385 3.671 20 5 DHBDRO CSC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000429293572 338076689 /nfs/dbraw/zinc/07/66/89/338076689.db2.gz LVCWJCSWTFKJGY-LLVKDONJSA-N 1 0 314.838 3.823 20 5 DHBDRO CCC(CC)(C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000430142216 338098871 /nfs/dbraw/zinc/09/88/71/338098871.db2.gz BEJJVSWLYWPRMK-AWEZNQCLSA-N 1 0 308.422 3.711 20 5 DHBDRO CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430217123 338101742 /nfs/dbraw/zinc/10/17/42/338101742.db2.gz GWQSSGUSRIQLIC-UHFFFAOYSA-N 1 0 300.358 3.626 20 5 DHBDRO CC[NH+](CC)CCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433122593 338182400 /nfs/dbraw/zinc/18/24/00/338182400.db2.gz WFFLLTPAUWUGBY-QGZVFWFLSA-N 1 0 319.449 3.639 20 5 DHBDRO CC(C)[N@H+](C)CCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433172020 338184047 /nfs/dbraw/zinc/18/40/47/338184047.db2.gz BTTMPAMYACJFKH-KRWDZBQOSA-N 1 0 319.449 3.637 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433227703 338186618 /nfs/dbraw/zinc/18/66/18/338186618.db2.gz SNJOCBHPEABKIV-WMLDXEAASA-N 1 0 318.417 3.866 20 5 DHBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000153594279 338226702 /nfs/dbraw/zinc/22/67/02/338226702.db2.gz ZGIKJTQCRQPTLA-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc3c(cccc3F)[nH]2)cc1 ZINC000436231057 338262573 /nfs/dbraw/zinc/26/25/73/338262573.db2.gz YAGMRXRESPXRNT-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO CC(C)C(C)(C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000437073088 338299200 /nfs/dbraw/zinc/29/92/00/338299200.db2.gz MYELRSZQQLQGAM-CYBMUJFWSA-N 1 0 321.421 3.584 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000438467653 338344746 /nfs/dbraw/zinc/34/47/46/338344746.db2.gz BQQPIHAINMEWCL-NSHDSACASA-N 1 0 320.311 3.670 20 5 DHBDRO COc1ccc(OCC[N@H+](C(C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000439967681 338382040 /nfs/dbraw/zinc/38/20/40/338382040.db2.gz XRQLRFKBLMNWFG-UHFFFAOYSA-N 1 0 322.405 3.635 20 5 DHBDRO CCO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000194464703 338532427 /nfs/dbraw/zinc/53/24/27/338532427.db2.gz KXRJPYBBSZJAHY-GOSISDBHSA-N 1 0 314.385 3.771 20 5 DHBDRO CC1(C)CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446830400 338537223 /nfs/dbraw/zinc/53/72/23/338537223.db2.gz RXEZGXMPLZCDNH-LLVKDONJSA-N 1 0 302.378 3.530 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000446891145 338539890 /nfs/dbraw/zinc/53/98/90/338539890.db2.gz UQZAVEIJDVACRH-OAHLLOKOSA-N 1 0 305.403 3.680 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCS1)CCC2 ZINC000447599004 338561274 /nfs/dbraw/zinc/56/12/74/338561274.db2.gz JJUFILNURYGPNE-ZBFHGGJFSA-N 1 0 306.431 3.848 20 5 DHBDRO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449104509 338593893 /nfs/dbraw/zinc/59/38/93/338593893.db2.gz FZBNTBUPFGNACP-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000449170746 338598900 /nfs/dbraw/zinc/59/89/00/338598900.db2.gz RUHGRBZIXOFDAR-GFCCVEGCSA-N 1 0 320.339 3.809 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000449329464 338613674 /nfs/dbraw/zinc/61/36/74/338613674.db2.gz OJXNYNIHRMFRAN-SNUQEOBHSA-N 1 0 312.369 3.638 20 5 DHBDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449502757 338632527 /nfs/dbraw/zinc/63/25/27/338632527.db2.gz XACLSVTUCVCLMV-VKJFTORMSA-N 1 0 320.433 3.567 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449708171 338647568 /nfs/dbraw/zinc/64/75/68/338647568.db2.gz UGZXRHPPSFUZST-GHXNOFRVSA-N 1 0 313.357 3.653 20 5 DHBDRO CCC[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000451442301 338734889 /nfs/dbraw/zinc/73/48/89/338734889.db2.gz VIQVHJGBHLNANV-OAHLLOKOSA-N 1 0 321.421 3.646 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000453301278 338820929 /nfs/dbraw/zinc/82/09/29/338820929.db2.gz XKRXFPRFIAKEOC-SGMGOOAPSA-N 1 0 312.360 3.939 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000459431713 339028855 /nfs/dbraw/zinc/02/88/55/339028855.db2.gz SVQPGTOESVPSIK-JONQDZQNSA-N 1 0 324.446 3.545 20 5 DHBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000459644405 339040033 /nfs/dbraw/zinc/04/00/33/339040033.db2.gz PEUDDQPOAZTZFI-GFCCVEGCSA-N 1 0 305.403 3.552 20 5 DHBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000459648779 339040315 /nfs/dbraw/zinc/04/03/15/339040315.db2.gz VEXQFNOIMPMXDC-CYBMUJFWSA-N 1 0 317.364 3.630 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459788602 339048687 /nfs/dbraw/zinc/04/86/87/339048687.db2.gz FHURLSRUXUUYEL-DOPJRALCSA-N 1 0 318.417 3.529 20 5 DHBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000461787359 339067102 /nfs/dbraw/zinc/06/71/02/339067102.db2.gz UGTNRGVGIHQSLK-ZDUSSCGKSA-N 1 0 309.385 3.575 20 5 DHBDRO CC(C)(C)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464786164 339153705 /nfs/dbraw/zinc/15/37/05/339153705.db2.gz VQMUHYWZRZEERQ-UHFFFAOYSA-N 1 0 306.406 3.874 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CS1 ZINC000468005570 339250954 /nfs/dbraw/zinc/25/09/54/339250954.db2.gz OXLZTPBYPFMWAB-HIFRSBDPSA-N 1 0 308.447 3.647 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000468010516 339250994 /nfs/dbraw/zinc/25/09/94/339250994.db2.gz ZDIMUCREQQKLMW-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000468554316 339266179 /nfs/dbraw/zinc/26/61/79/339266179.db2.gz MQAZALVIFHUJNH-WMLDXEAASA-N 1 0 320.433 3.711 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000468586895 339266768 /nfs/dbraw/zinc/26/67/68/339266768.db2.gz NWFXJOSLPYMUMM-CTXBLAANSA-N 1 0 304.390 3.545 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000468615887 339267156 /nfs/dbraw/zinc/26/71/56/339267156.db2.gz TYUAMQRYRAKVPC-WQMJKPAKSA-N 1 0 304.390 3.545 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC1CCCC1 ZINC000468630437 339267437 /nfs/dbraw/zinc/26/74/37/339267437.db2.gz HRXNLPCWFKJHAY-SDNWHVSQSA-N 1 0 304.390 3.547 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOc1ccccc1 ZINC000468643953 339267921 /nfs/dbraw/zinc/26/79/21/339267921.db2.gz VZJGGCVVFGNNLR-QINSGFPZSA-N 1 0 312.369 3.667 20 5 DHBDRO COCC[C@@H]1CCCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000468692169 339268683 /nfs/dbraw/zinc/26/86/83/339268683.db2.gz ZZEZSZSFDZWVFN-HWYHOQROSA-N 1 0 318.417 3.747 20 5 DHBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000468693239 339268690 /nfs/dbraw/zinc/26/86/90/339268690.db2.gz IJQTULTVCIFYEI-MRXNPFEDSA-N 1 0 320.433 3.967 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(CCO)CCCC1 ZINC000468733520 339269366 /nfs/dbraw/zinc/26/93/66/339269366.db2.gz LFAPTJAFUKWUNL-PTNGSMBKSA-N 1 0 318.417 3.531 20 5 DHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000469780396 339299408 /nfs/dbraw/zinc/29/94/08/339299408.db2.gz OLLNIICPNIEKLR-HZPDHXFCSA-N 1 0 324.446 3.628 20 5 DHBDRO CC1(C)[C@H](C(F)(F)F)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000469994355 339307391 /nfs/dbraw/zinc/30/73/91/339307391.db2.gz XCAZTFMHPWIXGD-GFCCVEGCSA-N 1 0 320.286 3.897 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCn2cccc2[C@@H]1C ZINC000470169028 339312496 /nfs/dbraw/zinc/31/24/96/339312496.db2.gz AQVIKXUCLOLXJH-SZGZABIGSA-N 1 0 311.385 3.876 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCn2cccc2[C@@H]1C ZINC000470169026 339312546 /nfs/dbraw/zinc/31/25/46/339312546.db2.gz AQVIKXUCLOLXJH-GOFCXVBSSA-N 1 0 311.385 3.876 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCC1CCOCC1 ZINC000470178619 339313036 /nfs/dbraw/zinc/31/30/36/339313036.db2.gz LLAVVDQHCBSKPA-QINSGFPZSA-N 1 0 318.417 3.747 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(F)F)CC1 ZINC000470179256 339313154 /nfs/dbraw/zinc/31/31/54/339313154.db2.gz VDXRGLIYNBCEQG-FMIVXFBMSA-N 1 0 310.344 3.975 20 5 DHBDRO CO[C@@H](C)C[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)C ZINC000470179366 339313173 /nfs/dbraw/zinc/31/31/73/339313173.db2.gz WWGZSBIICQKIMR-MZLJFPOFSA-N 1 0 306.406 3.743 20 5 DHBDRO CCC[C@H]([NH2+]CCC(O)(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000471786448 339354000 /nfs/dbraw/zinc/35/40/00/339354000.db2.gz JNRDVALOFYMJLR-INIZCTEOSA-N 1 0 308.422 3.967 20 5 DHBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CC)c1ccccc1 ZINC000472455292 339372237 /nfs/dbraw/zinc/37/22/37/339372237.db2.gz SYVDBKBXRVWSNF-QGZVFWFLSA-N 1 0 316.405 3.655 20 5 DHBDRO CC[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000477864693 339503192 /nfs/dbraw/zinc/50/31/92/339503192.db2.gz UWNONVWIOCZVIL-ZWKOTPCHSA-N 1 0 320.433 3.967 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(Cc2ccccc2)CC1 ZINC000479416037 339534054 /nfs/dbraw/zinc/53/40/54/339534054.db2.gz HDDHJKZLSLEDPV-UXBLZVDNSA-N 1 0 308.381 3.973 20 5 DHBDRO COc1ccc(C[NH2+]C[C@@H](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000482198950 339625902 /nfs/dbraw/zinc/62/59/02/339625902.db2.gz MKUVGOBQWTWDQB-AWEZNQCLSA-N 1 0 314.385 3.572 20 5 DHBDRO CC(C)(C)CC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482699051 339640301 /nfs/dbraw/zinc/64/03/01/339640301.db2.gz YXJXQJZXQZXXHO-UHFFFAOYSA-N 1 0 304.394 3.776 20 5 DHBDRO Cc1cccc(OCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC000486787970 339734189 /nfs/dbraw/zinc/73/41/89/339734189.db2.gz NBLRELWCHNSGFD-UHFFFAOYSA-N 1 0 314.385 3.770 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000497112393 340020568 /nfs/dbraw/zinc/02/05/68/340020568.db2.gz DZUBLUOGVOSYEI-MAUKXSAKSA-N 1 0 320.433 3.701 20 5 DHBDRO CC(C)C[NH+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000501115440 340074679 /nfs/dbraw/zinc/07/46/79/340074679.db2.gz YHOHNBIBGGZKNQ-UHFFFAOYSA-N 1 0 321.421 3.537 20 5 DHBDRO COCC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000502530948 340107133 /nfs/dbraw/zinc/10/71/33/340107133.db2.gz QNDBGVHOTBNMSM-INIZCTEOSA-N 1 0 318.417 3.724 20 5 DHBDRO CC[C@@H]1C[C@H](C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000503553053 340130222 /nfs/dbraw/zinc/13/02/22/340130222.db2.gz WSPYQWDQUWTCNU-CZUORRHYSA-N 1 0 306.406 3.625 20 5 DHBDRO Cc1[nH+]ccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1Cl ZINC000503569011 340130896 /nfs/dbraw/zinc/13/08/96/340130896.db2.gz MJAAIATVYYSNTG-UHFFFAOYSA-N 1 0 312.156 3.639 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000503926711 340137104 /nfs/dbraw/zinc/13/71/04/340137104.db2.gz GZACOGIDNUGUNR-DZGCQCFKSA-N 1 0 306.406 3.623 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccco1 ZINC000504905595 340155530 /nfs/dbraw/zinc/15/55/30/340155530.db2.gz KVLGHKNJABPWKZ-ZDUSSCGKSA-N 1 0 320.414 3.891 20 5 DHBDRO COc1ccccc1C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000505598027 340172366 /nfs/dbraw/zinc/17/23/66/340172366.db2.gz UYGJOPCHLWFLHH-JXMROGBWSA-N 1 0 312.369 3.749 20 5 DHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507000974 340205070 /nfs/dbraw/zinc/20/50/70/340205070.db2.gz GTVOXVNNVQAJCC-YOEHRIQHSA-N 1 0 311.385 3.842 20 5 DHBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000507162232 340210254 /nfs/dbraw/zinc/21/02/54/340210254.db2.gz CFEGWRZIVDFFIN-CQSZACIVSA-N 1 0 302.399 3.954 20 5 DHBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000508530248 340245858 /nfs/dbraw/zinc/24/58/58/340245858.db2.gz GOQHSVBUYXKIQY-HNNXBMFYSA-N 1 0 314.385 3.804 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)cc(F)c1 ZINC000511123980 340321475 /nfs/dbraw/zinc/32/14/75/340321475.db2.gz JVVUBDKSTMDHJE-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO COc1cc(C[NH2+]CC[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000512229347 340353123 /nfs/dbraw/zinc/35/31/23/340353123.db2.gz YXWAUMGANICXPH-STQMWFEESA-N 1 0 322.405 3.615 20 5 DHBDRO C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173422478 340364677 /nfs/dbraw/zinc/36/46/77/340364677.db2.gz RAYAIEHHMFUCFC-CZUORRHYSA-N 1 0 307.438 3.612 20 5 DHBDRO C[C@@H](N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173453394 340365452 /nfs/dbraw/zinc/36/54/52/340365452.db2.gz UIWWGICLQYDETC-PBHICJAKSA-N 1 0 317.433 3.510 20 5 DHBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512859767 340381089 /nfs/dbraw/zinc/38/10/89/340381089.db2.gz DXIZRUCLVDWHME-XHDPSFHLSA-N 1 0 318.398 3.696 20 5 DHBDRO COc1cccc(C2([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000512903593 340383403 /nfs/dbraw/zinc/38/34/03/340383403.db2.gz BZQGGUVOGSPYKR-ALCCZGGFSA-N 1 0 324.380 3.896 20 5 DHBDRO Cc1cc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3C)ccc2[nH]1 ZINC000513081026 340392450 /nfs/dbraw/zinc/39/24/50/340392450.db2.gz DPYYNWJSHNVUJH-UHFFFAOYSA-N 1 0 309.369 3.983 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178654638 340451293 /nfs/dbraw/zinc/45/12/93/340451293.db2.gz NCSXSAIMBJXZEE-DZGCQCFKSA-N 1 0 312.369 3.812 20 5 DHBDRO C[C@@H]([NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000564164684 340527526 /nfs/dbraw/zinc/52/75/26/340527526.db2.gz HLVFRUVNDPIBIY-CYBMUJFWSA-N 1 0 314.389 3.531 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000237428937 340670999 /nfs/dbraw/zinc/67/09/99/340670999.db2.gz BKIYJIQESALMEU-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO CC(C)CO[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000315688249 340676473 /nfs/dbraw/zinc/67/64/73/340676473.db2.gz QVHNQQWZCUKGTM-HOTGVXAUSA-N 1 0 306.406 3.524 20 5 DHBDRO COCc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000124417869 340799037 /nfs/dbraw/zinc/79/90/37/340799037.db2.gz SGRMWGJODFYJQA-CQSZACIVSA-N 1 0 314.385 3.900 20 5 DHBDRO CSc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000540136007 340915994 /nfs/dbraw/zinc/91/59/94/340915994.db2.gz IJVFYXFDHJLBMM-GFCCVEGCSA-N 1 0 317.414 3.871 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1Cc2ccccc2C1 ZINC000540171057 340920240 /nfs/dbraw/zinc/92/02/40/340920240.db2.gz MFFOEYCQFLTBMF-AWEZNQCLSA-N 1 0 310.397 3.969 20 5 DHBDRO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000540191616 340922637 /nfs/dbraw/zinc/92/26/37/340922637.db2.gz RNSLNBJXEHEYGW-APPDUMDISA-N 1 0 300.333 3.757 20 5 DHBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000542092723 340995129 /nfs/dbraw/zinc/99/51/29/340995129.db2.gz PGVYAMLXUXGJGE-RYUDHWBXSA-N 1 0 320.414 3.572 20 5 DHBDRO CS[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000542482168 341009564 /nfs/dbraw/zinc/00/95/64/341009564.db2.gz GPRWYSCACWFXAK-LOWQCSRCSA-N 1 0 308.447 3.975 20 5 DHBDRO COC1CCC(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542683570 341017157 /nfs/dbraw/zinc/01/71/57/341017157.db2.gz PJHDYADZBIQSND-CBCUQQMYSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@@H]1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000543094209 341031716 /nfs/dbraw/zinc/03/17/16/341031716.db2.gz AFBIMDXGTUBIJN-JVPBZIDWSA-N 1 0 310.397 3.919 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000543628870 341051967 /nfs/dbraw/zinc/05/19/67/341051967.db2.gz YBBFWSQHMGUBLI-HEHGZKQESA-N 1 0 315.373 3.645 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000543704458 341054349 /nfs/dbraw/zinc/05/43/49/341054349.db2.gz HRULFTJPEUCBSI-DOMZBBRYSA-N 1 0 306.406 3.900 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000545201021 341113275 /nfs/dbraw/zinc/11/32/75/341113275.db2.gz DDXOVXSJSACTCA-DXCKQFNASA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000080242964 341271406 /nfs/dbraw/zinc/27/14/06/341271406.db2.gz RNBSRBWPAVTUDD-LBPRGKRZSA-N 1 0 304.415 3.994 20 5 DHBDRO COc1ccccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080346947 341273000 /nfs/dbraw/zinc/27/30/00/341273000.db2.gz UDKONKNADOCESD-UHFFFAOYSA-N 1 0 300.358 3.628 20 5 DHBDRO Cc1nc(C)c(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000080347367 341273107 /nfs/dbraw/zinc/27/31/07/341273107.db2.gz IWTNYPYAEKLDIT-UHFFFAOYSA-N 1 0 305.403 3.693 20 5 DHBDRO C[C@@H]1CC(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000548993653 341283117 /nfs/dbraw/zinc/28/31/17/341283117.db2.gz QCQFQKWCFMFWFU-JPGYVXCHSA-N 1 0 318.417 3.791 20 5 DHBDRO CC1(C)SC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000549265869 341289967 /nfs/dbraw/zinc/28/99/67/341289967.db2.gz UGOUEULJLDONHR-OAHLLOKOSA-N 1 0 318.398 3.838 20 5 DHBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC000549859822 341305162 /nfs/dbraw/zinc/30/51/62/341305162.db2.gz BJKLYOQHAMQFQH-AOOOYVTPSA-N 1 0 302.296 3.701 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000550931256 341327197 /nfs/dbraw/zinc/32/71/97/341327197.db2.gz BZCCMVREZISRGB-SUMWQHHRSA-N 1 0 312.369 3.825 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000247269600 341363010 /nfs/dbraw/zinc/36/30/10/341363010.db2.gz ZWZDASCXZPEYSO-VHSSKADRSA-N 1 0 312.369 3.776 20 5 DHBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000248576391 341380330 /nfs/dbraw/zinc/38/03/30/341380330.db2.gz TXXASSPJDMPGFY-MDZLAQPJSA-N 1 0 303.362 3.650 20 5 DHBDRO C[NH+](C)CCc1ccc(Nc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000553388486 341427610 /nfs/dbraw/zinc/42/76/10/341427610.db2.gz CHEIZDKKFXXSHH-UHFFFAOYSA-N 1 0 303.337 3.582 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](F)C1 ZINC000554375117 341452309 /nfs/dbraw/zinc/45/23/09/341452309.db2.gz HZSPGJUAOSXBDM-XQQFMLRXSA-N 1 0 312.410 3.946 20 5 DHBDRO CC(C)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556078048 341493511 /nfs/dbraw/zinc/49/35/11/341493511.db2.gz KNUMXDBVYZIOMW-UONOGXRCSA-N 1 0 308.426 3.547 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000556238335 341498655 /nfs/dbraw/zinc/49/86/55/341498655.db2.gz IUBAHVZIDAZDGO-SJLPKXTDSA-N 1 0 320.433 3.824 20 5 DHBDRO CC1(C)CC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000565672227 341534625 /nfs/dbraw/zinc/53/46/25/341534625.db2.gz UYUYPJPQKLNKPK-UHFFFAOYSA-N 1 0 317.414 3.997 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000268995960 341606233 /nfs/dbraw/zinc/60/62/33/341606233.db2.gz HTQDGYHXDIJKTD-MSOLQXFVSA-N 1 0 314.385 3.759 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000271670756 341624012 /nfs/dbraw/zinc/62/40/12/341624012.db2.gz MZGKBKMHSDRVLX-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CC(C)[C@H]1CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573998548 341745565 /nfs/dbraw/zinc/74/55/65/341745565.db2.gz YTBWRZDNUFKSGW-GDBMZVCRSA-N 1 0 301.390 3.643 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 ZINC000576774252 341862671 /nfs/dbraw/zinc/86/26/71/341862671.db2.gz AALYGHVTBVOGQO-KOMQPUFPSA-N 1 0 300.333 3.770 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[C@@H](F)C2)c1 ZINC000577869640 341945252 /nfs/dbraw/zinc/94/52/52/341945252.db2.gz VHSNSTBYRKANMP-GHMZBOCLSA-N 1 0 318.295 3.567 20 5 DHBDRO COc1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1F ZINC000092825380 518140725 /nfs/dbraw/zinc/14/07/25/518140725.db2.gz GJQUUGNBTFUNBM-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO CCCC[N@H+](CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131855562 520482369 /nfs/dbraw/zinc/48/23/69/520482369.db2.gz VAEIUGYKBCSUEF-GFCCVEGCSA-N 1 0 318.377 3.828 20 5 DHBDRO CCOC1CC(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000188782570 521644658 /nfs/dbraw/zinc/64/46/58/521644658.db2.gz UJSYMQOOIZCWTM-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265853744 521693215 /nfs/dbraw/zinc/69/32/15/521693215.db2.gz ITWIHJJQQVSGNB-NWANDNLSSA-N 1 0 324.446 3.682 20 5 DHBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183043675 522295273 /nfs/dbraw/zinc/29/52/73/522295273.db2.gz GFJFGXIJEVAANL-VXGBXAGGSA-N 1 0 303.362 3.774 20 5 DHBDRO CC[C@H]([NH2+]CCc1cn2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000130630217 522602313 /nfs/dbraw/zinc/60/23/13/522602313.db2.gz ZTBSXSJEXYRMET-KRWDZBQOSA-N 1 0 324.384 3.526 20 5 DHBDRO COCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000124418569 522992088 /nfs/dbraw/zinc/99/20/88/522992088.db2.gz HWUWXGNBMZNBAV-AWEZNQCLSA-N 1 0 314.385 3.900 20 5 DHBDRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000157962170 524813261 /nfs/dbraw/zinc/81/32/61/524813261.db2.gz VQMFHTOIVSNJAK-HNNXBMFYSA-N 1 0 312.369 3.593 20 5 DHBDRO C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000160499595 525296188 /nfs/dbraw/zinc/29/61/88/525296188.db2.gz NFQJRESOVMROAP-AWEZNQCLSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000160583248 525416513 /nfs/dbraw/zinc/41/65/13/525416513.db2.gz PLPSORVIMGYKGA-LLVKDONJSA-N 1 0 320.414 3.745 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000184676950 525436972 /nfs/dbraw/zinc/43/69/72/525436972.db2.gz MSTWAKIBRFPCAL-ZDUSSCGKSA-N 1 0 314.385 3.673 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000191120328 525567045 /nfs/dbraw/zinc/56/70/45/525567045.db2.gz IHDQGPWNIWALII-INIZCTEOSA-N 1 0 316.332 3.656 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000266819514 525567245 /nfs/dbraw/zinc/56/72/45/525567245.db2.gz YQJIUDWZZKNLIY-GOEBONIOSA-N 1 0 311.385 3.524 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000267431663 525616085 /nfs/dbraw/zinc/61/60/85/525616085.db2.gz MQKXFGIEGXTMGB-HOCLYGCPSA-N 1 0 311.385 3.524 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000127229987 525621949 /nfs/dbraw/zinc/62/19/49/525621949.db2.gz IHGIZBKUUJSECT-ZFWWWQNUSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268895589 525771031 /nfs/dbraw/zinc/77/10/31/525771031.db2.gz OZQMMUJSMNTCPJ-VXGBXAGGSA-N 1 0 320.414 3.745 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cnn1C(C)(C)C ZINC000191351111 525900439 /nfs/dbraw/zinc/90/04/39/525900439.db2.gz VQXXNEBHLFBRCY-GFCCVEGCSA-N 1 0 316.405 3.706 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000159998981 525917226 /nfs/dbraw/zinc/91/72/26/525917226.db2.gz GXCGCBYXBJBMAY-BLLLJJGKSA-N 1 0 320.414 3.523 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189249527 526088757 /nfs/dbraw/zinc/08/87/57/526088757.db2.gz VWNSOCZWFPHKEW-KBXCAEBGSA-N 1 0 318.417 3.855 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000286930976 535412580 /nfs/dbraw/zinc/41/25/80/535412580.db2.gz GGOZJYHSXFREMB-CHWSQXEVSA-N 1 0 324.446 3.787 20 5 DHBDRO CC[C@@H]([NH2+]CCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000274206424 535803507 /nfs/dbraw/zinc/80/35/07/535803507.db2.gz MLQGBXGCTIIPDC-QGZVFWFLSA-N 1 0 306.406 3.842 20 5 DHBDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000359870828 1013058540 /nfs/dbraw/zinc/05/85/40/1013058540.db2.gz JNMKSNPFHSXJLV-KSSFIOAISA-N 1 0 311.385 3.615 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CC[C@H](F)C3)o2)c1 ZINC000561748409 1032063201 /nfs/dbraw/zinc/06/32/01/1032063201.db2.gz KITPSFYENQWCBA-STQMWFEESA-N 1 0 304.321 3.835 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000154979956 1013133915 /nfs/dbraw/zinc/13/39/15/1013133915.db2.gz NGXYHIGXVBMZQL-INIZCTEOSA-N 1 0 300.358 3.584 20 5 DHBDRO COCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000266217866 1013160898 /nfs/dbraw/zinc/16/08/98/1013160898.db2.gz QKHTVTRAEZZQGQ-ZDUSSCGKSA-N 1 0 300.358 3.592 20 5 DHBDRO C[C@@H]([NH2+]CCCN(C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000319978150 1013499874 /nfs/dbraw/zinc/49/98/74/1013499874.db2.gz KJGDADVRODFRNC-OAHLLOKOSA-N 1 0 313.401 3.772 20 5 DHBDRO CC[NH+]1CCC(Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC001226203720 1013546786 /nfs/dbraw/zinc/54/67/86/1013546786.db2.gz JJMNDDIOACXHTF-UHFFFAOYSA-N 1 0 319.188 3.765 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000247216399 1013547751 /nfs/dbraw/zinc/54/77/51/1013547751.db2.gz WBQOHFSAMUOIJR-XUWXXGDYSA-N 1 0 317.433 3.651 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c(Cl)c1 ZINC000519641813 1013586118 /nfs/dbraw/zinc/58/61/18/1013586118.db2.gz GSFIRTKHVPSDEN-ZDUSSCGKSA-N 1 0 317.776 3.633 20 5 DHBDRO O=[N+]([O-])c1sccc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610275447 1013601101 /nfs/dbraw/zinc/60/11/01/1013601101.db2.gz PIGKGVKBGUNPJL-UHFFFAOYSA-N 1 0 323.462 3.749 20 5 DHBDRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000610003971 1013843111 /nfs/dbraw/zinc/84/31/11/1013843111.db2.gz UZCQUBGDQMGCAO-CYBMUJFWSA-N 1 0 314.360 3.896 20 5 DHBDRO F[C@@H]1CNCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001210611228 1013974218 /nfs/dbraw/zinc/97/42/18/1013974218.db2.gz QMMOUUOGCQILFU-QGZVFWFLSA-N 1 0 308.400 3.736 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000856807336 1022873397 /nfs/dbraw/zinc/87/33/97/1022873397.db2.gz NLQWZVKNSHWQBG-SECBINFHSA-N 1 0 323.607 3.922 20 5 DHBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083211608 1014000921 /nfs/dbraw/zinc/00/09/21/1014000921.db2.gz DAQCJAZQPZROGH-VXGBXAGGSA-N 1 0 303.362 3.747 20 5 DHBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000580629843 1014260021 /nfs/dbraw/zinc/26/00/21/1014260021.db2.gz GIHGDOFASLYVNA-NXEZZACHSA-N 1 0 302.296 3.986 20 5 DHBDRO O=[N+]([O-])c1cc(CNCc2ccccc2C(F)(F)F)cs1 ZINC000060390884 1014462292 /nfs/dbraw/zinc/46/22/92/1014462292.db2.gz ASLXAWFVQHHASZ-UHFFFAOYSA-N 1 0 316.304 3.965 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CO1 ZINC000581131001 1014578414 /nfs/dbraw/zinc/57/84/14/1014578414.db2.gz COUAZKBKSICJPX-NWDGAFQWSA-N 1 0 318.398 3.590 20 5 DHBDRO C[C@@H](c1ccccc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000521479279 1014709065 /nfs/dbraw/zinc/70/90/65/1014709065.db2.gz MCIYCXLABPRVMC-AWEZNQCLSA-N 1 0 300.358 3.667 20 5 DHBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000581380041 1014751736 /nfs/dbraw/zinc/75/17/36/1014751736.db2.gz GCAYJVXBHPIMCN-SKDRFNHKSA-N 1 0 302.296 3.760 20 5 DHBDRO COCC(C)(C)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521899087 1014832342 /nfs/dbraw/zinc/83/23/42/1014832342.db2.gz JABACEHMYFBJCE-OAHLLOKOSA-N 1 0 306.406 3.625 20 5 DHBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000610709511 1014898112 /nfs/dbraw/zinc/89/81/12/1014898112.db2.gz VDWRHFMMYWTTLC-JSGCOSHPSA-N 1 0 317.414 3.731 20 5 DHBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000276270405 1014912649 /nfs/dbraw/zinc/91/26/49/1014912649.db2.gz CQWZALIPDYAIPG-UHFFFAOYSA-N 1 0 306.312 3.898 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccc(F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000053156176 1014914556 /nfs/dbraw/zinc/91/45/56/1014914556.db2.gz CJIPOSKOPDEBFS-UHFFFAOYSA-N 1 0 308.740 3.986 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000121111818 1014976692 /nfs/dbraw/zinc/97/66/92/1014976692.db2.gz ZYOBNYIARBLWQC-UHFFFAOYSA-N 1 0 304.390 3.518 20 5 DHBDRO C[C@H]([NH2+]CCc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000157189216 1014979200 /nfs/dbraw/zinc/97/92/00/1014979200.db2.gz OHWWYYDRBUKEMM-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO Cc1ccc(C[NH2+]CC(C)(C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000522284320 1015001125 /nfs/dbraw/zinc/00/11/25/1015001125.db2.gz NCFPEUAAUYRYGF-UHFFFAOYSA-N 1 0 314.385 3.850 20 5 DHBDRO CC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000185064740 1015065547 /nfs/dbraw/zinc/06/55/47/1015065547.db2.gz NKPDOBGTTJLZMB-CQSZACIVSA-N 1 0 321.402 3.561 20 5 DHBDRO C[C@]1(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000895379729 1015113816 /nfs/dbraw/zinc/11/38/16/1015113816.db2.gz DHNAMGOVHFTJBQ-LBPRGKRZSA-N 1 0 304.724 3.773 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000895832495 1015325808 /nfs/dbraw/zinc/32/58/08/1015325808.db2.gz XJICJLZRDWZQDL-CYBMUJFWSA-N 1 0 324.808 3.545 20 5 DHBDRO CCC(CC)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581230 1015629463 /nfs/dbraw/zinc/62/94/63/1015629463.db2.gz NTTSSHGDRDYXRM-UHFFFAOYSA-N 1 0 303.362 3.889 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)nc2c1 ZINC000610582575 1015632550 /nfs/dbraw/zinc/63/25/50/1015632550.db2.gz AQNUDDXRQQGNAJ-BXUZGUMPSA-N 1 0 301.346 3.501 20 5 DHBDRO Cc1ccc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000610717389 1015740981 /nfs/dbraw/zinc/74/09/81/1015740981.db2.gz CYZLRLZKBYNSKH-MRXNPFEDSA-N 1 0 306.406 3.588 20 5 DHBDRO CC[C@H](Cc1cccs1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000610811104 1015852775 /nfs/dbraw/zinc/85/27/75/1015852775.db2.gz YLLQLHLPZIMLGO-CQSZACIVSA-N 1 0 304.415 3.810 20 5 DHBDRO CC[C@H](C)C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000247741761 1015964424 /nfs/dbraw/zinc/96/44/24/1015964424.db2.gz XCSHBYUYNSVHJO-NWDGAFQWSA-N 1 0 318.377 3.684 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1OC ZINC000320280957 1016073029 /nfs/dbraw/zinc/07/30/29/1016073029.db2.gz WHQYKNYYIUNVAK-KRWDZBQOSA-N 1 0 314.385 3.887 20 5 DHBDRO CCOc1ccccc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000320314218 1016094044 /nfs/dbraw/zinc/09/40/44/1016094044.db2.gz DDSXCDXYBILMPT-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)cc1 ZINC000539545486 1016353292 /nfs/dbraw/zinc/35/32/92/1016353292.db2.gz MVXBHRFFLMDSEQ-UHFFFAOYSA-N 1 0 314.360 3.846 20 5 DHBDRO Cc1nc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c(C)o1 ZINC000346798956 1016553026 /nfs/dbraw/zinc/55/30/26/1016553026.db2.gz BJPLUOGTXZVNQW-UHFFFAOYSA-N 1 0 317.389 3.655 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000478491877 1016695292 /nfs/dbraw/zinc/69/52/92/1016695292.db2.gz TUFZVGXDAWQHFG-IXDOHACOSA-N 1 0 318.417 3.588 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840786516 1016994898 /nfs/dbraw/zinc/99/48/98/1016994898.db2.gz COEIELSQJPYMJX-AKWBHNSASA-N 1 0 315.348 3.523 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1Cl ZINC000897081412 1017035757 /nfs/dbraw/zinc/03/57/57/1017035757.db2.gz BHAFOLAQUDEOBB-XJKSGUPXSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000089513280 1032154679 /nfs/dbraw/zinc/15/46/79/1032154679.db2.gz YIHFDZFQOGTUBK-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000368218129 1032448223 /nfs/dbraw/zinc/44/82/23/1032448223.db2.gz DTCOTJDZMMIRGK-UONOGXRCSA-N 1 0 304.390 3.547 20 5 DHBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000475226871 1017089686 /nfs/dbraw/zinc/08/96/86/1017089686.db2.gz ADEWBGBJBFHDIN-OLZOCXBDSA-N 1 0 316.405 3.776 20 5 DHBDRO CC[C@@H](C)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773028767 1032533145 /nfs/dbraw/zinc/53/31/45/1032533145.db2.gz UNUAQQKSNGQKQP-HUUCEWRRSA-N 1 0 319.449 3.978 20 5 DHBDRO Cc1ncc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000773083548 1032551142 /nfs/dbraw/zinc/55/11/42/1032551142.db2.gz UMZHGPKIYSRFPN-LLVKDONJSA-N 1 0 305.403 3.561 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CC23CC3)s1 ZINC000424183801 1011931951 /nfs/dbraw/zinc/93/19/51/1011931951.db2.gz KGSZFCFHARTWGA-OAHLLOKOSA-N 1 0 300.383 3.965 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000122667369 1032615931 /nfs/dbraw/zinc/61/59/31/1032615931.db2.gz GOOKYIQEFNPHEI-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO CCc1cnccc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515389261 1012612092 /nfs/dbraw/zinc/61/20/92/1012612092.db2.gz SQDCPMVXYBDZQB-YVEFUNNKSA-N 1 0 311.385 3.890 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000515510516 1012647988 /nfs/dbraw/zinc/64/79/88/1012647988.db2.gz PCYXCGQWARAQAK-GOSISDBHSA-N 1 0 314.360 3.941 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000515510517 1012649817 /nfs/dbraw/zinc/64/98/17/1012649817.db2.gz PCYXCGQWARAQAK-SFHVURJKSA-N 1 0 314.360 3.941 20 5 DHBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1ccccc1C ZINC000515540857 1012662729 /nfs/dbraw/zinc/66/27/29/1012662729.db2.gz AQYZDFDRXYHRRJ-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000515559888 1012664838 /nfs/dbraw/zinc/66/48/38/1012664838.db2.gz PYIBYSOECFDUMD-CXAGYDPISA-N 1 0 319.449 3.636 20 5 DHBDRO CCC[C@H](N[C@H](C)C[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000336852403 1012943266 /nfs/dbraw/zinc/94/32/66/1012943266.db2.gz QCNPHZLUTVJKBN-PBHICJAKSA-N 1 0 307.438 3.756 20 5 DHBDRO CC[C@H]([NH2+]CC1(O)CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000336854836 1012945007 /nfs/dbraw/zinc/94/50/07/1012945007.db2.gz SEIZBJLYJUSLAG-INIZCTEOSA-N 1 0 306.406 3.721 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425958099 1013013943 /nfs/dbraw/zinc/01/39/43/1013013943.db2.gz LNBRVAPLUJMKBE-HIFRSBDPSA-N 1 0 324.371 3.941 20 5 DHBDRO CCC[C@H]([NH2+]CCN(CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336862840 1013017391 /nfs/dbraw/zinc/01/73/91/1013017391.db2.gz LWEKHDOWEGVKQV-KRWDZBQOSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1c([C@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)cccc1[N+](=O)[O-] ZINC000611480883 1017215998 /nfs/dbraw/zinc/21/59/98/1017215998.db2.gz NPRXAQPJHNKVHL-ZDUSSCGKSA-N 1 0 323.356 3.657 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000163252697 1017493062 /nfs/dbraw/zinc/49/30/62/1017493062.db2.gz OEBBXXATPSEJIO-ZWKOTPCHSA-N 1 0 314.385 3.678 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000342833979 1017534809 /nfs/dbraw/zinc/53/48/09/1017534809.db2.gz DKNLQVHWUFJVRE-SFHVURJKSA-N 1 0 318.417 3.721 20 5 DHBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444657204 1017610712 /nfs/dbraw/zinc/61/07/12/1017610712.db2.gz BOTHTCMKHXKLKU-OAHLLOKOSA-N 1 0 316.405 3.872 20 5 DHBDRO Cc1c([N+](=O)[O-])cc(F)cc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167625366 1017712761 /nfs/dbraw/zinc/71/27/61/1017712761.db2.gz WIAZFQSCYFKXLD-UHFFFAOYSA-N 1 0 309.385 3.527 20 5 DHBDRO CCCC[NH+]1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000164475740 1017762642 /nfs/dbraw/zinc/76/26/42/1017762642.db2.gz ATNJEEYMINWDGT-OAHLLOKOSA-N 1 0 319.449 3.818 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2sccc21 ZINC000268861394 1017796856 /nfs/dbraw/zinc/79/68/56/1017796856.db2.gz JOLPEQZWVALQGX-AWEZNQCLSA-N 1 0 318.398 3.832 20 5 DHBDRO Cc1c([C@@H](C)N[C@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000153741843 1018003926 /nfs/dbraw/zinc/00/39/26/1018003926.db2.gz MVCPBLKVTCSHHM-CABCVRRESA-N 1 0 317.433 3.571 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000701926038 1018122785 /nfs/dbraw/zinc/12/27/85/1018122785.db2.gz XUUUSXGFICOEKS-NSHDSACASA-N 1 0 300.761 3.820 20 5 DHBDRO Cc1c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000525121245 1018175714 /nfs/dbraw/zinc/17/57/14/1018175714.db2.gz BWSVILHLAZGXNZ-KRWDZBQOSA-N 1 0 310.397 3.968 20 5 DHBDRO COc1cc(C[NH2+]CC(C(C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000446803674 1018257372 /nfs/dbraw/zinc/25/73/72/1018257372.db2.gz MNRGLCUCLQGYKT-UHFFFAOYSA-N 1 0 324.421 3.630 20 5 DHBDRO CS[C@@H]1CCCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000441121478 1018263067 /nfs/dbraw/zinc/26/30/67/1018263067.db2.gz YCRCPMHOQOUMJI-CYBMUJFWSA-N 1 0 314.838 3.966 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441201005 1018333422 /nfs/dbraw/zinc/33/34/22/1018333422.db2.gz DBBHWRQYTYBREU-HWKANZROSA-N 1 0 321.380 3.922 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)c(F)c1 ZINC000441224750 1018355547 /nfs/dbraw/zinc/35/55/47/1018355547.db2.gz MAZGBADRIPACOA-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO CC1CCC(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447527647 1018404693 /nfs/dbraw/zinc/40/46/93/1018404693.db2.gz GWRIFUOGXFZNPP-CKUJCDMFSA-N 1 0 320.437 3.691 20 5 DHBDRO CC1(C)CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447527111 1018405730 /nfs/dbraw/zinc/40/57/30/1018405730.db2.gz DHOHTHXSXBXIAK-GJZGRUSLSA-N 1 0 320.437 3.833 20 5 DHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCC2CCCC2)n1 ZINC000447531936 1018407967 /nfs/dbraw/zinc/40/79/67/1018407967.db2.gz RJZFOPWCZSWNFZ-HOTGVXAUSA-N 1 0 320.437 3.835 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccc(F)cc1 ZINC000583510225 1018522171 /nfs/dbraw/zinc/52/21/71/1018522171.db2.gz LHGFNGYCCUSUEM-MRXNPFEDSA-N 1 0 300.333 3.554 20 5 DHBDRO CC1(C)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153854908 1018870935 /nfs/dbraw/zinc/87/09/35/1018870935.db2.gz YQZRFIJUZYIDRO-UHFFFAOYSA-N 1 0 315.373 3.872 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC000921819337 1018901399 /nfs/dbraw/zinc/90/13/99/1018901399.db2.gz XUZUDWBQTVLMLV-ZDUSSCGKSA-N 1 0 314.389 3.676 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)c1 ZINC000921834965 1018926828 /nfs/dbraw/zinc/92/68/28/1018926828.db2.gz KLORVXBMIOJHTK-YRGRVCCFSA-N 1 0 324.808 3.543 20 5 DHBDRO Cc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000130727496 1019066547 /nfs/dbraw/zinc/06/65/47/1019066547.db2.gz HPBQDWRBYKBNNQ-UHFFFAOYSA-N 1 0 316.357 3.540 20 5 DHBDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090519494 1019387138 /nfs/dbraw/zinc/38/71/38/1019387138.db2.gz DYDXRWPAJYBBJR-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090519495 1019388143 /nfs/dbraw/zinc/38/81/43/1019388143.db2.gz DYDXRWPAJYBBJR-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO CCc1ccc([C@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000090844003 1019420015 /nfs/dbraw/zinc/42/00/15/1019420015.db2.gz NACFIFMWBLMXIM-ACJLOTCBSA-N 1 0 314.385 3.541 20 5 DHBDRO CCc1ccc([C@H](CO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000090844557 1019420172 /nfs/dbraw/zinc/42/01/72/1019420172.db2.gz UPMMGUIGBBEARD-ACJLOTCBSA-N 1 0 314.385 3.541 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000611268137 1019428629 /nfs/dbraw/zinc/42/86/29/1019428629.db2.gz SGHREJOYQLMUGZ-UHFFFAOYSA-N 1 0 318.348 3.683 20 5 DHBDRO CCC[C@H]([NH2+]CCc1ccc(C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000161593668 1019437355 /nfs/dbraw/zinc/43/73/55/1019437355.db2.gz FGIWXEXFJIUHDD-SFHVURJKSA-N 1 0 313.401 3.972 20 5 DHBDRO Cc1cc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000611335693 1019447994 /nfs/dbraw/zinc/44/79/94/1019447994.db2.gz LRSHCNQJDDZCAD-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611350528 1019451604 /nfs/dbraw/zinc/45/16/04/1019451604.db2.gz PUROKMXYMLLHJT-OWCLPIDISA-N 1 0 318.417 3.794 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000132251218 1019486769 /nfs/dbraw/zinc/48/67/69/1019486769.db2.gz NIGBQCPJCHKZEK-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO Cc1c(C[NH2+]C[C@@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000480453120 1019686137 /nfs/dbraw/zinc/68/61/37/1019686137.db2.gz CNSSZDIXECVWEP-GFCCVEGCSA-N 1 0 302.349 3.936 20 5 DHBDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000282262850 1019787861 /nfs/dbraw/zinc/78/78/61/1019787861.db2.gz QZUBHJJFJVEHFN-ABAIWWIYSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000317376930 1019978481 /nfs/dbraw/zinc/97/84/81/1019978481.db2.gz HWZMPXVHGVFPLY-VHSXEESVSA-N 1 0 317.311 3.508 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC000922317221 1019997815 /nfs/dbraw/zinc/99/78/15/1019997815.db2.gz WLDLJEHXGCPCPR-ZDUSSCGKSA-N 1 0 312.369 3.516 20 5 DHBDRO C[NH+](C)C1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000317957656 1020022073 /nfs/dbraw/zinc/02/20/73/1020022073.db2.gz DRROQTCJXNJAGP-UHFFFAOYSA-N 1 0 317.311 3.510 20 5 DHBDRO C[N@H+](CC[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001168765356 1020068606 /nfs/dbraw/zinc/06/86/06/1020068606.db2.gz INLOPDDTBCQJNY-UONOGXRCSA-N 1 0 316.323 3.550 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000154912602 1020163520 /nfs/dbraw/zinc/16/35/20/1020163520.db2.gz YPVZVBHOMSSJLO-KRWDZBQOSA-N 1 0 311.385 3.671 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000154917229 1020164733 /nfs/dbraw/zinc/16/47/33/1020164733.db2.gz BVTBHBOOQMCQMN-KRWDZBQOSA-N 1 0 311.385 3.671 20 5 DHBDRO CC(C)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000093644436 1020165152 /nfs/dbraw/zinc/16/51/52/1020165152.db2.gz RCEWKEZYHNIZFD-GOEBONIOSA-N 1 0 319.449 3.633 20 5 DHBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H](Nc3ccccc3)C2)cs1 ZINC000154947773 1020169601 /nfs/dbraw/zinc/16/96/01/1020169601.db2.gz VJWRXDCLANUJHW-OAHLLOKOSA-N 1 0 317.414 3.733 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000282627605 1020371734 /nfs/dbraw/zinc/37/17/34/1020371734.db2.gz ANNJTSALZJRATN-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000156947907 1020386675 /nfs/dbraw/zinc/38/66/75/1020386675.db2.gz IEXVTFXOCSZIJA-HNNXBMFYSA-N 1 0 314.385 3.771 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926950913 1032899954 /nfs/dbraw/zinc/89/99/54/1032899954.db2.gz WPVGCUCYPQZGCK-GBIKHYSHSA-N 1 0 302.296 3.752 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000092275430 1020474903 /nfs/dbraw/zinc/47/49/03/1020474903.db2.gz OPJPHHYCFCNFBS-CYBMUJFWSA-N 1 0 300.383 3.574 20 5 DHBDRO C[NH+](C)CC(C)(C)CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001168767916 1020489628 /nfs/dbraw/zinc/48/96/28/1020489628.db2.gz MDPMPSWESVFVLQ-UHFFFAOYSA-N 1 0 319.327 3.613 20 5 DHBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848162 1020491219 /nfs/dbraw/zinc/49/12/19/1020491219.db2.gz GNGHQISSCCJWJM-ZACQAIPSSA-N 1 0 320.433 3.823 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000123099984 1020510237 /nfs/dbraw/zinc/51/02/37/1020510237.db2.gz PEJYWBCYMGZTIS-OLZOCXBDSA-N 1 0 315.373 3.728 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000163153389 1020577546 /nfs/dbraw/zinc/57/75/46/1020577546.db2.gz UZLBOKGZUXLAAB-IAGOWNOFSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@@H](CCCC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000163384142 1020598248 /nfs/dbraw/zinc/59/82/48/1020598248.db2.gz CQJJIFPYYXSORC-NSHDSACASA-N 1 0 304.312 3.848 20 5 DHBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[C@H]([NH2+]C)C2)c1Cl ZINC001217955294 1020635567 /nfs/dbraw/zinc/63/55/67/1020635567.db2.gz ZJGVBKNZWXEOGH-ZKCHVHJHSA-N 1 0 319.188 3.593 20 5 DHBDRO CCOCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179955245 1020638620 /nfs/dbraw/zinc/63/86/20/1020638620.db2.gz ZTQDOXNGTDNFIK-GOSISDBHSA-N 1 0 314.385 3.700 20 5 DHBDRO CCCCCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000735791903 1020768747 /nfs/dbraw/zinc/76/87/47/1020768747.db2.gz ZGFMQYWJQDORND-UHFFFAOYSA-N 1 0 318.377 3.657 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000414071155 1020845250 /nfs/dbraw/zinc/84/52/50/1020845250.db2.gz CXPHCHMQHUBWBM-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738052046 1020859727 /nfs/dbraw/zinc/85/97/27/1020859727.db2.gz BWTUXHQVBYZTPL-CZUORRHYSA-N 1 0 316.405 3.803 20 5 DHBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000740870915 1020957352 /nfs/dbraw/zinc/95/73/52/1020957352.db2.gz LZCFCLIEBVCPPB-VXGBXAGGSA-N 1 0 311.813 3.557 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170688870 1021002128 /nfs/dbraw/zinc/00/21/28/1021002128.db2.gz RHNORRUFCPBXTA-PBHICJAKSA-N 1 0 311.385 3.842 20 5 DHBDRO CCC[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766271985 1021002583 /nfs/dbraw/zinc/00/25/83/1021002583.db2.gz WVAJPJKTTNAMCH-RHSMWYFYSA-N 1 0 305.422 3.510 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414242517 1021025861 /nfs/dbraw/zinc/02/58/61/1021025861.db2.gz QCEVCEJYMSMLLY-LBTNJELSSA-N 1 0 320.433 3.709 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[C@@H](C)O1 ZINC000414265109 1021040091 /nfs/dbraw/zinc/04/00/91/1021040091.db2.gz QSSBHNCURWOIAS-ZFRZLUBXSA-N 1 0 318.417 3.720 20 5 DHBDRO COCC1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000414315767 1021086754 /nfs/dbraw/zinc/08/67/54/1021086754.db2.gz SOIOKCIOGYCBOH-WLYUNCDWSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000414324771 1021098181 /nfs/dbraw/zinc/09/81/81/1021098181.db2.gz BUCBOSBIWHPWLX-AWEZNQCLSA-N 1 0 313.401 3.927 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnc2)c1 ZINC000742391298 1021111397 /nfs/dbraw/zinc/11/13/97/1021111397.db2.gz GVPKIWFELPTOKJ-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000742427866 1021120432 /nfs/dbraw/zinc/12/04/32/1021120432.db2.gz SDFSZNJAMDOUAR-JTQLQIEISA-N 1 0 317.311 3.510 20 5 DHBDRO Cc1cnc(NCCCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000742429542 1021123796 /nfs/dbraw/zinc/12/37/96/1021123796.db2.gz FREXJHBNSUWTJC-UHFFFAOYSA-N 1 0 320.437 3.756 20 5 DHBDRO [NH3+]Cc1nn(-c2cc3ccccc3c([N+](=O)[O-])c2)c2ccccc12 ZINC001167700946 1021137767 /nfs/dbraw/zinc/13/77/67/1021137767.db2.gz XSTKYHZLSMPYMS-UHFFFAOYSA-N 1 0 318.336 3.546 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000180700780 1021147966 /nfs/dbraw/zinc/14/79/66/1021147966.db2.gz MBMRDASMYMHXLX-QWHCGFSZSA-N 1 0 322.405 3.674 20 5 DHBDRO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090585613 1021233859 /nfs/dbraw/zinc/23/38/59/1021233859.db2.gz IGDCFXTZXPQTQP-JKSUJKDBSA-N 1 0 319.449 3.613 20 5 DHBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154470727 1021335766 /nfs/dbraw/zinc/33/57/66/1021335766.db2.gz GKAIXOXYJXNFME-XKQJLSEDSA-N 1 0 306.406 3.529 20 5 DHBDRO CCCc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000618618892 1021456168 /nfs/dbraw/zinc/45/61/68/1021456168.db2.gz CPDRELCMCJFAAN-UHFFFAOYSA-N 1 0 324.384 3.713 20 5 DHBDRO Cc1c([C@H](C)N[C@@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000480700330 1021461103 /nfs/dbraw/zinc/46/11/03/1021461103.db2.gz QPTSYBMXRUUJET-HOCLYGCPSA-N 1 0 319.449 3.818 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1SCCS1 ZINC000850407166 1021513997 /nfs/dbraw/zinc/51/39/97/1021513997.db2.gz PXASUOQMFCPGCP-XFXZXTDPSA-N 1 0 324.471 3.784 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1SCCS1 ZINC000850407165 1021514301 /nfs/dbraw/zinc/51/43/01/1021514301.db2.gz PXASUOQMFCPGCP-FMIVXFBMSA-N 1 0 324.471 3.784 20 5 DHBDRO CC[C@@H](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850505121 1021565426 /nfs/dbraw/zinc/56/54/26/1021565426.db2.gz NCLFPOGGCAQCAR-CQSZACIVSA-N 1 0 305.422 3.589 20 5 DHBDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850518050 1021576169 /nfs/dbraw/zinc/57/61/69/1021576169.db2.gz ISSZAEYQGFVBEV-NVGCLXPQSA-N 1 0 311.385 3.556 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](O)c3ccccc31)CCC2 ZINC000850527177 1021579076 /nfs/dbraw/zinc/57/90/76/1021579076.db2.gz UTLRVPSRPLNIDE-QRVBRYPASA-N 1 0 324.380 3.740 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](O)c3ccccc31)CCC2 ZINC000850527176 1021580135 /nfs/dbraw/zinc/58/01/35/1021580135.db2.gz UTLRVPSRPLNIDE-GUDVDZBRSA-N 1 0 324.380 3.740 20 5 DHBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000538126634 1032994488 /nfs/dbraw/zinc/99/44/88/1032994488.db2.gz NJAZWWRTBSTWMY-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000538128114 1032995489 /nfs/dbraw/zinc/99/54/89/1032995489.db2.gz HOPNGGNLSJJXGJ-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cc(O)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000926890871 1021800478 /nfs/dbraw/zinc/80/04/78/1021800478.db2.gz GGBNCSHERADIMD-MNOVXSKESA-N 1 0 304.321 3.851 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC1(Cl)Cl ZINC000920206115 1022077023 /nfs/dbraw/zinc/07/70/23/1022077023.db2.gz BTJVOSBQDKWHEJ-GFCCVEGCSA-N 1 0 317.216 3.999 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000183338264 1022103138 /nfs/dbraw/zinc/10/31/38/1022103138.db2.gz JNHBDGLUJFVMBX-CYBMUJFWSA-N 1 0 300.358 3.802 20 5 DHBDRO CCC[C@]1(C)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587439 1022105842 /nfs/dbraw/zinc/10/58/42/1022105842.db2.gz GNUAXSNRGSXLMB-IAGOWNOFSA-N 1 0 306.406 3.530 20 5 DHBDRO CC[C@](C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776604292 1022139370 /nfs/dbraw/zinc/13/93/70/1022139370.db2.gz ATURKHYKWJCKNW-ROUUACIJSA-N 1 0 314.385 3.543 20 5 DHBDRO CC(C)(C)c1ccc(-n2cnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001168844109 1022146501 /nfs/dbraw/zinc/14/65/01/1022146501.db2.gz JFTPASMRZMTHQL-UHFFFAOYSA-N 1 0 324.384 3.690 20 5 DHBDRO Cc1ccc(C)c([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1 ZINC001168926255 1022177617 /nfs/dbraw/zinc/17/76/17/1022177617.db2.gz ZHTKIWKNFPSYPI-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001168970702 1022205607 /nfs/dbraw/zinc/20/56/07/1022205607.db2.gz IODOGEISJJHXGC-COPLHBTASA-N 1 0 316.323 3.801 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1Cl ZINC001169003564 1022209513 /nfs/dbraw/zinc/20/95/13/1022209513.db2.gz OEEPAAHQOFDBFR-GMTAPVOTSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CC2CC2)c2ccccc2F)C1 ZINC001168997527 1022210614 /nfs/dbraw/zinc/21/06/14/1022210614.db2.gz CWEUXLAKEGBXHM-JKIFEVAISA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCCc2ccc(Cl)cc2)C1 ZINC001168998499 1022210670 /nfs/dbraw/zinc/21/06/70/1022210670.db2.gz NTWWCNVXPKSVBU-GDBMZVCRSA-N 1 0 310.825 3.698 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1Cl ZINC001169003569 1022212981 /nfs/dbraw/zinc/21/29/81/1022212981.db2.gz OEEPAAHQOFDBFR-VWYCJHECSA-N 1 0 300.761 3.575 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1c(F)cccc1Cl ZINC001168986640 1022216816 /nfs/dbraw/zinc/21/68/16/1022216816.db2.gz XZVSFMLIANPQKY-AXFHLTTASA-N 1 0 300.761 3.575 20 5 DHBDRO C[C@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCc2ccc(Cl)cc21 ZINC001169038872 1022221263 /nfs/dbraw/zinc/22/12/63/1022221263.db2.gz LBVKWXQNSWXWCB-XEZPLFJOSA-N 1 0 322.836 3.747 20 5 DHBDRO CC[N+](C)(C)Cc1ccccc1NCc1cn2cccc(C)c2n1 ZINC001169017214 1022225064 /nfs/dbraw/zinc/22/50/64/1022225064.db2.gz HEIFYZVUWHZMJY-UHFFFAOYSA-N 1 0 323.464 3.851 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001169048430 1022228426 /nfs/dbraw/zinc/22/84/26/1022228426.db2.gz UZJIYWJFTTUSLJ-PVXIVEMSSA-N 1 0 310.344 3.547 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001169025991 1022229131 /nfs/dbraw/zinc/22/91/31/1022229131.db2.gz KKOHYJVBJBOJDS-KCXAZCMYSA-N 1 0 308.809 3.922 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001169050178 1022231481 /nfs/dbraw/zinc/23/14/81/1022231481.db2.gz ZDQDLMOLRKYMBW-NORZTCDRSA-N 1 0 310.344 3.547 20 5 DHBDRO COc1cccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169142915 1022275123 /nfs/dbraw/zinc/27/51/23/1022275123.db2.gz HRNOXZKNIVGCMF-SJKOYZFVSA-N 1 0 321.421 3.559 20 5 DHBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000763453598 1022290036 /nfs/dbraw/zinc/29/00/36/1022290036.db2.gz PMQAWMMXZNEKEC-HOTGVXAUSA-N 1 0 322.380 3.513 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000804318706 1022370790 /nfs/dbraw/zinc/37/07/90/1022370790.db2.gz BJONISROPXQCFM-CYBMUJFWSA-N 1 0 321.421 3.720 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCc1c(F)cccc1F ZINC001169666357 1022493891 /nfs/dbraw/zinc/49/38/91/1022493891.db2.gz KXSNLFJZBOISFE-UHFFFAOYSA-N 1 0 320.339 3.590 20 5 DHBDRO CN(Cc1nc[nH]n1)Cc1c2ccccc2cc2ccccc21 ZINC000179794524 1022542048 /nfs/dbraw/zinc/54/20/48/1022542048.db2.gz QTBZSWCRNUYHOA-UHFFFAOYSA-N 1 0 302.381 3.743 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000337545555 1033062197 /nfs/dbraw/zinc/06/21/97/1033062197.db2.gz LLGCVWAGOXXVMT-MJBXVCDLSA-N 1 0 314.332 3.796 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000616016681 1022625305 /nfs/dbraw/zinc/62/53/05/1022625305.db2.gz KEDHSVMBLBLJQA-QWHCGFSZSA-N 1 0 322.405 3.532 20 5 DHBDRO O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000180152776 1022643068 /nfs/dbraw/zinc/64/30/68/1022643068.db2.gz JADJGBCRDVTGKO-UHFFFAOYSA-N 1 0 324.380 3.832 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cccnc1)CCCC2 ZINC000417330720 1022686055 /nfs/dbraw/zinc/68/60/55/1022686055.db2.gz VKDLWPQRJROABA-GOSISDBHSA-N 1 0 311.385 3.590 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173304020 1022689584 /nfs/dbraw/zinc/68/95/84/1022689584.db2.gz JEEDWCOFJKXKCS-BZNIZROVSA-N 1 0 320.776 3.632 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CC(F)(F)C1)CCCC2 ZINC000417339319 1022693144 /nfs/dbraw/zinc/69/31/44/1022693144.db2.gz FLEVWVMLFUGHIE-HNNXBMFYSA-N 1 0 310.344 3.997 20 5 DHBDRO CCn1ccc(C[N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000616737762 1022763341 /nfs/dbraw/zinc/76/33/41/1022763341.db2.gz SBNXPDRQUAPRIU-XNTDXEJSSA-N 1 0 313.401 3.952 20 5 DHBDRO CCOc1cc(NCCC2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000092657598 1022948659 /nfs/dbraw/zinc/94/86/59/1022948659.db2.gz ZBQAWSSGWLXXKW-UHFFFAOYSA-N 1 0 321.421 3.527 20 5 DHBDRO CCOc1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167752045 1023029868 /nfs/dbraw/zinc/02/98/68/1023029868.db2.gz CAPZYCXKSCKDSR-AWEZNQCLSA-N 1 0 321.421 3.670 20 5 DHBDRO CC[C@H]1CCCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000150749209 1023151165 /nfs/dbraw/zinc/15/11/65/1023151165.db2.gz APYVACLCNFQHEG-HNNXBMFYSA-N 1 0 320.389 3.616 20 5 DHBDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000770751057 1023349001 /nfs/dbraw/zinc/34/90/01/1023349001.db2.gz TXZLPFFZTSMZQC-LLVKDONJSA-N 1 0 305.765 3.802 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000093115890 1023448972 /nfs/dbraw/zinc/44/89/72/1023448972.db2.gz MULFZGUFKRAQEB-KRWDZBQOSA-N 1 0 300.333 3.901 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CCCc2c[nH]c3ccccc23)cs1 ZINC000107714357 1023491990 /nfs/dbraw/zinc/49/19/90/1023491990.db2.gz DLHDUKKHKYCTKZ-UHFFFAOYSA-N 1 0 315.398 3.860 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OC(C)C)CC1 ZINC000538708985 1033139448 /nfs/dbraw/zinc/13/94/48/1033139448.db2.gz IAPIGAXBBQQXSM-AWEZNQCLSA-N 1 0 306.406 3.854 20 5 DHBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H](C)C(C)C ZINC000112658107 1023816423 /nfs/dbraw/zinc/81/64/23/1023816423.db2.gz QGNPTAGYSZOWLO-AWEZNQCLSA-N 1 0 321.421 3.598 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506578 1023898367 /nfs/dbraw/zinc/89/83/67/1023898367.db2.gz WKIICNKGRBXIRU-LLVKDONJSA-N 1 0 319.792 3.724 20 5 DHBDRO Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000788612563 1023913825 /nfs/dbraw/zinc/91/38/25/1023913825.db2.gz MYRVXTIJJDYAKI-AAEUAGOBSA-N 1 0 317.389 3.750 20 5 DHBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000788640596 1023917417 /nfs/dbraw/zinc/91/74/17/1023917417.db2.gz SULRRRGTSJQFRG-SJKOYZFVSA-N 1 0 311.385 3.824 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788637458 1023918128 /nfs/dbraw/zinc/91/81/28/1023918128.db2.gz CGBKBQIBNDLUFE-MGPLVRAMSA-N 1 0 315.348 3.654 20 5 DHBDRO C[C@H]([NH2+]C1(c2ccccc2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788707551 1023924401 /nfs/dbraw/zinc/92/44/01/1023924401.db2.gz ZHKIIDPHVMUFRL-ZDUSSCGKSA-N 1 0 311.385 3.907 20 5 DHBDRO CCOC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000789584827 1024119837 /nfs/dbraw/zinc/11/98/37/1024119837.db2.gz VFWMLOQJQFFMPN-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001170117702 1024156974 /nfs/dbraw/zinc/15/69/74/1024156974.db2.gz MGBNJTZMGVCIPH-JKSUJKDBSA-N 1 0 306.406 3.668 20 5 DHBDRO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CCS1 ZINC000789763445 1024158098 /nfs/dbraw/zinc/15/80/98/1024158098.db2.gz KAGVZNAPTAVULB-UHFFFAOYSA-N 1 0 314.838 3.966 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2sccc2C)cc1[N+](=O)[O-] ZINC000268810475 1024165912 /nfs/dbraw/zinc/16/59/12/1024165912.db2.gz IQOSXNFHYGVPKH-NSHDSACASA-N 1 0 306.387 3.824 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1sccc1C ZINC000268926275 1024196893 /nfs/dbraw/zinc/19/68/93/1024196893.db2.gz RRKUTBTWRLERGI-LLVKDONJSA-N 1 0 306.387 3.824 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCC(F)(F)F)C1CC1 ZINC000268990395 1024212543 /nfs/dbraw/zinc/21/25/43/1024212543.db2.gz RBHVJBCYXKFJSZ-CYBMUJFWSA-N 1 0 316.323 3.848 20 5 DHBDRO CCCC(O)(CCC)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531713251 1024280869 /nfs/dbraw/zinc/28/08/69/1024280869.db2.gz WTHAPETWRQLTNI-CQSZACIVSA-N 1 0 308.422 3.885 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCC[C@H]1CCCCO1 ZINC000893594005 1024290959 /nfs/dbraw/zinc/29/09/59/1024290959.db2.gz VZFMIODYOXOWGS-CQSZACIVSA-N 1 0 312.797 3.687 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(C)CC(F)(F)C1 ZINC000883250352 1024319949 /nfs/dbraw/zinc/31/99/49/1024319949.db2.gz QUQSWWVZORULBH-UHFFFAOYSA-N 1 0 314.332 3.519 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883259251 1024331630 /nfs/dbraw/zinc/33/16/30/1024331630.db2.gz HKGRRMCRJHGNEH-SECBINFHSA-N 1 0 301.337 3.509 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCOC1 ZINC000883351413 1024397499 /nfs/dbraw/zinc/39/74/99/1024397499.db2.gz FLHIHJWHPXNRLR-CPUCHLNUSA-N 1 0 306.406 3.759 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCOC1 ZINC000883351415 1024398451 /nfs/dbraw/zinc/39/84/51/1024398451.db2.gz FLHIHJWHPXNRLR-VBQJREDUSA-N 1 0 306.406 3.759 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000883353509 1024399854 /nfs/dbraw/zinc/39/98/54/1024399854.db2.gz VWKZGQPTVUMMON-JCGIZDLHSA-N 1 0 318.417 3.767 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC2(COC2)CC1 ZINC000883378849 1024411249 /nfs/dbraw/zinc/41/12/49/1024411249.db2.gz BODRINHITYJYOY-CYBMUJFWSA-N 1 0 304.390 3.513 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C)(F)C1 ZINC000453240201 1024420468 /nfs/dbraw/zinc/42/04/68/1024420468.db2.gz RUSYXUVHFUSYJZ-XIKARTHZSA-N 1 0 312.410 3.946 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC2(COC2)CC1 ZINC000883389738 1024422289 /nfs/dbraw/zinc/42/22/89/1024422289.db2.gz XDXXSJOUEZFITF-ZROIWOOFSA-N 1 0 316.401 3.547 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2c3ccccc3NC2(C)C)cccc1[N+](=O)[O-] ZINC000883462902 1024440348 /nfs/dbraw/zinc/44/03/48/1024440348.db2.gz CWMPMVXYMSQXEX-QGZVFWFLSA-N 1 0 311.385 3.938 20 5 DHBDRO C[C@@H](CCC1CCCCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877042086 1033215562 /nfs/dbraw/zinc/21/55/62/1033215562.db2.gz MIEUFCIHYSANBB-JEYLPNPQSA-N 1 0 320.437 3.833 20 5 DHBDRO Cc1ccc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000453437124 1024513546 /nfs/dbraw/zinc/51/35/46/1024513546.db2.gz VELUQXAETURRID-GOSISDBHSA-N 1 0 311.385 3.508 20 5 DHBDRO CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001202602607 1024594606 /nfs/dbraw/zinc/59/46/06/1024594606.db2.gz HWXCATCWFYURME-LSDHHAIUSA-N 1 0 306.406 3.909 20 5 DHBDRO C[C@@]1(c2ccccc2)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000532293404 1024594651 /nfs/dbraw/zinc/59/46/51/1024594651.db2.gz UJARBAZKABICRI-MRXNPFEDSA-N 1 0 302.399 3.820 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000585765551 1024602790 /nfs/dbraw/zinc/60/27/90/1024602790.db2.gz PZTGVICTMWSJSA-CYBMUJFWSA-N 1 0 324.384 3.673 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOC1CCC1 ZINC000777120385 1033222539 /nfs/dbraw/zinc/22/25/39/1033222539.db2.gz HLWXGRDPDAQDFI-CYBMUJFWSA-N 1 0 324.446 3.624 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2sccc2C)c([N+](=O)[O-])c1 ZINC001170299165 1024729530 /nfs/dbraw/zinc/72/95/30/1024729530.db2.gz RNAKFHVCMFOFRO-GFCCVEGCSA-N 1 0 320.414 3.694 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC001170319269 1024740516 /nfs/dbraw/zinc/74/05/16/1024740516.db2.gz WNKGMTPOMYVBCZ-NFAWXSAZSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CC23CCCCC3)c([N+](=O)[O-])c1 ZINC001170318937 1024742282 /nfs/dbraw/zinc/74/22/82/1024742282.db2.gz SVMJWEBYYFRWOY-SUMWQHHRSA-N 1 0 318.417 3.847 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC23CCCCC3)c([N+](=O)[O-])c1 ZINC000792874675 1024819574 /nfs/dbraw/zinc/81/95/74/1024819574.db2.gz WWZBBGWNZMILPP-UHFFFAOYSA-N 1 0 319.361 3.802 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CC2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000792881644 1024819856 /nfs/dbraw/zinc/81/98/56/1024819856.db2.gz NBLMWWQAYRZFJD-UHFFFAOYSA-N 1 0 319.361 3.515 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000792880782 1024823290 /nfs/dbraw/zinc/82/32/90/1024823290.db2.gz VLYJHAJWVWROAW-WFASDCNBSA-N 1 0 321.377 3.904 20 5 DHBDRO CC1(C)CC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC(C)(C)C1 ZINC000877139862 1033255010 /nfs/dbraw/zinc/25/50/10/1033255010.db2.gz DEKQEVQRKGLUEA-UHFFFAOYSA-N 1 0 320.437 3.689 20 5 DHBDRO CCC[C@H]([NH2+]CC1(CO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000321697228 1025170217 /nfs/dbraw/zinc/17/02/17/1025170217.db2.gz VRIRSCBXQWHBSK-KRWDZBQOSA-N 1 0 320.433 3.968 20 5 DHBDRO CCC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000279733723 1025203207 /nfs/dbraw/zinc/20/32/07/1025203207.db2.gz WIWXFCVBVKTCGQ-GOEBONIOSA-N 1 0 320.414 3.648 20 5 DHBDRO Cc1[nH]c(C2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884707356 1025231741 /nfs/dbraw/zinc/23/17/41/1025231741.db2.gz HTDPFACFVBGRLU-UHFFFAOYSA-N 1 0 314.389 3.627 20 5 DHBDRO Cc1[nH]c(C2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)[nH+]c1C ZINC000884707419 1025233500 /nfs/dbraw/zinc/23/35/00/1025233500.db2.gz KHVVUNROJWRRTM-UHFFFAOYSA-N 1 0 314.389 3.627 20 5 DHBDRO Nc1ccc(NCCCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000804371749 1025264484 /nfs/dbraw/zinc/26/44/84/1025264484.db2.gz JQAVDPJESUEEIC-UHFFFAOYSA-N 1 0 320.437 3.635 20 5 DHBDRO CCCN1CCC[C@H]1C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000353971640 1025308558 /nfs/dbraw/zinc/30/85/58/1025308558.db2.gz LIBJNCNQYJXRPT-IRXDYDNUSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@H](CCc1cccnc1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459147 1025349758 /nfs/dbraw/zinc/34/97/58/1025349758.db2.gz IOWMNTMSQMSWSP-HUUCEWRRSA-N 1 0 313.401 3.704 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000897459605 1025359944 /nfs/dbraw/zinc/35/99/44/1025359944.db2.gz MUCFZRCDJPXTJK-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CCOC1CCC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897461562 1025364373 /nfs/dbraw/zinc/36/43/73/1025364373.db2.gz RTFSATJTXBLGFD-WLYUNCDWSA-N 1 0 306.406 3.636 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)OC2(CCC2)C1 ZINC000584836613 1025408830 /nfs/dbraw/zinc/40/88/30/1025408830.db2.gz MGTGPCHFRGWNDI-KGLIPLIRSA-N 1 0 304.390 3.608 20 5 DHBDRO C[C@@H](C[NH2+]Cc1cccnc1Cl)c1ccccc1[N+](=O)[O-] ZINC000897469681 1025416272 /nfs/dbraw/zinc/41/62/72/1025416272.db2.gz OOEIFMGOMWPKJJ-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CO[C@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000885999977 1025432157 /nfs/dbraw/zinc/43/21/57/1025432157.db2.gz RIZSRHYGMBYKCS-WMZOPIPTSA-N 1 0 320.433 3.855 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000886005729 1025434042 /nfs/dbraw/zinc/43/40/42/1025434042.db2.gz IUGVPBINLCGHCK-CYBMUJFWSA-N 1 0 317.776 3.633 20 5 DHBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886014613 1025438147 /nfs/dbraw/zinc/43/81/47/1025438147.db2.gz LPEMKDSBRRWEEY-DOMZBBRYSA-N 1 0 315.348 3.507 20 5 DHBDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000886016562 1025439986 /nfs/dbraw/zinc/43/99/86/1025439986.db2.gz HHGSPRQFAVPXNR-GXTWGEPZSA-N 1 0 312.797 3.686 20 5 DHBDRO Cc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000804811808 1025486025 /nfs/dbraw/zinc/48/60/25/1025486025.db2.gz ABGRKOQAOAVVEG-QWHCGFSZSA-N 1 0 323.824 3.620 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000886105156 1025506490 /nfs/dbraw/zinc/50/64/90/1025506490.db2.gz SXBFNDDTLCFTLZ-AWEZNQCLSA-N 1 0 305.765 3.884 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000886134496 1025522015 /nfs/dbraw/zinc/52/20/15/1025522015.db2.gz UREGBMUDYIIJBF-UHFFFAOYSA-N 1 0 311.385 3.635 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000886192045 1025553738 /nfs/dbraw/zinc/55/37/38/1025553738.db2.gz FBNYZWZFXSNFOK-BCDXTJNWSA-N 1 0 323.396 3.900 20 5 DHBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000237813594 1025788854 /nfs/dbraw/zinc/78/88/54/1025788854.db2.gz SOBSOVWKCNPTGO-OAHLLOKOSA-N 1 0 318.760 3.862 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cccc1[N+](=O)[O-] ZINC000806162376 1025819160 /nfs/dbraw/zinc/81/91/60/1025819160.db2.gz VUJXEHYQKHIIIL-CYBMUJFWSA-N 1 0 317.776 3.729 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886728918 1025839959 /nfs/dbraw/zinc/83/99/59/1025839959.db2.gz QDGDZBHOHJXZOV-CJNGLKHVSA-N 1 0 304.390 3.595 20 5 DHBDRO C[N@@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@@H]1CCCO1 ZINC000076299935 1025867364 /nfs/dbraw/zinc/86/73/64/1025867364.db2.gz LVIPSDOGJWDICK-INIZCTEOSA-N 1 0 323.392 3.557 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000886923122 1025981760 /nfs/dbraw/zinc/98/17/60/1025981760.db2.gz MMGIRQMBVGGXEY-INIZCTEOSA-N 1 0 316.332 3.520 20 5 DHBDRO CCc1cccc2c(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000237007306 1026041847 /nfs/dbraw/zinc/04/18/47/1026041847.db2.gz PFXDCBCNJVOCSO-UHFFFAOYSA-N 1 0 323.396 3.971 20 5 DHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000047253511 1026065965 /nfs/dbraw/zinc/06/59/65/1026065965.db2.gz AXTYBWNYULQLII-VNHYZAJKSA-N 1 0 321.396 3.576 20 5 DHBDRO CCCC[C@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289761062 1026161591 /nfs/dbraw/zinc/16/15/91/1026161591.db2.gz FYYFBFAXZHVOAI-LBPRGKRZSA-N 1 0 318.377 3.655 20 5 DHBDRO CCC[N@H+](CCc1ccccn1)Cc1csc([N+](=O)[O-])c1 ZINC000289840507 1026194348 /nfs/dbraw/zinc/19/43/48/1026194348.db2.gz PHWLRPWWPPQJLQ-UHFFFAOYSA-N 1 0 305.403 3.506 20 5 DHBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000178868642 1026431633 /nfs/dbraw/zinc/43/16/33/1026431633.db2.gz SIQILKYSVHXENX-QGZVFWFLSA-N 1 0 306.406 3.671 20 5 DHBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000280423442 1026648237 /nfs/dbraw/zinc/64/82/37/1026648237.db2.gz ZHGJWGMBIMWOJV-OAHLLOKOSA-N 1 0 312.797 3.639 20 5 DHBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017405 1026666250 /nfs/dbraw/zinc/66/62/50/1026666250.db2.gz XAVVRTNYIUJUMK-RDDDGLTNSA-N 1 0 321.229 3.743 20 5 DHBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000420293148 1026795976 /nfs/dbraw/zinc/79/59/76/1026795976.db2.gz XSQSNZYZNLHALL-NXEZZACHSA-N 1 0 317.311 3.543 20 5 DHBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000421376331 1026970775 /nfs/dbraw/zinc/97/07/75/1026970775.db2.gz GTSPHRQKELNCNL-LSDHHAIUSA-N 1 0 306.406 3.765 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCS1 ZINC000811483440 1027008358 /nfs/dbraw/zinc/00/83/58/1027008358.db2.gz JKXJPOQYSZGYGV-SNVBAGLBSA-N 1 0 321.229 3.887 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCSC1 ZINC000811484186 1027009345 /nfs/dbraw/zinc/00/93/45/1027009345.db2.gz WNGUMNMWDODHBH-SNVBAGLBSA-N 1 0 321.229 3.887 20 5 DHBDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000421858418 1027069299 /nfs/dbraw/zinc/06/92/99/1027069299.db2.gz PSMZUVQNWGRQTH-NWDGAFQWSA-N 1 0 320.414 3.745 20 5 DHBDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000573933491 1027344420 /nfs/dbraw/zinc/34/44/20/1027344420.db2.gz GWOYYFLQUIIXRX-YVEFUNNKSA-N 1 0 312.369 3.942 20 5 DHBDRO Cc1noc(C[N@H+]2CCC[C@H]2[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000932274822 1027437626 /nfs/dbraw/zinc/43/76/26/1027437626.db2.gz KQUFMIWVWIPPCU-DOMZBBRYSA-N 1 0 315.373 3.659 20 5 DHBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)[C@H](O)c1ccccc1 ZINC000812848635 1027445047 /nfs/dbraw/zinc/44/50/47/1027445047.db2.gz LKJXPVPUZPHMHW-KDOFPFPSSA-N 1 0 314.385 3.539 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423345644 1027507976 /nfs/dbraw/zinc/50/79/76/1027507976.db2.gz FZHKDQSVJMDHGX-KZULUSFZSA-N 1 0 311.385 3.905 20 5 DHBDRO CCn1cc([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000296061426 1027531501 /nfs/dbraw/zinc/53/15/01/1027531501.db2.gz VWZNLWYOLDSOBK-YVEFUNNKSA-N 1 0 314.389 3.539 20 5 DHBDRO CCn1cc([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000296061411 1027532075 /nfs/dbraw/zinc/53/20/75/1027532075.db2.gz VWZNLWYOLDSOBK-PXAZEXFGSA-N 1 0 314.389 3.539 20 5 DHBDRO CCN(Cc1cccs1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006997593 1027630486 /nfs/dbraw/zinc/63/04/86/1027630486.db2.gz NRHPCVZMSVRONF-UHFFFAOYSA-N 1 0 316.386 3.555 20 5 DHBDRO CC[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000562906074 1027658256 /nfs/dbraw/zinc/65/82/56/1027658256.db2.gz AFQPPRVSLZZEII-LBPRGKRZSA-N 1 0 320.414 3.838 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCCCCCC3)nc2c1 ZINC000007049313 1027660149 /nfs/dbraw/zinc/66/01/49/1027660149.db2.gz IDPBRTOZSDTEFG-UHFFFAOYSA-N 1 0 302.378 3.674 20 5 DHBDRO COc1cc(F)cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000577886095 1027974178 /nfs/dbraw/zinc/97/41/78/1027974178.db2.gz AARMTKCMRPONRK-MRXNPFEDSA-N 1 0 316.332 3.520 20 5 DHBDRO CSC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601206999 1028024654 /nfs/dbraw/zinc/02/46/54/1028024654.db2.gz QPBOSSZDRKCABS-UHFFFAOYSA-N 1 0 317.414 3.783 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000601284326 1028062683 /nfs/dbraw/zinc/06/26/83/1028062683.db2.gz FBEUMJFXZXEQSH-LMMKCTJWSA-N 1 0 324.380 3.702 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000601304667 1028071835 /nfs/dbraw/zinc/07/18/35/1028071835.db2.gz ORINHEPHYAPORS-JCURWCKSSA-N 1 0 304.390 3.593 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCC2(F)CCC2)cc1[N+](=O)[O-] ZINC000563736218 1028181979 /nfs/dbraw/zinc/18/19/79/1028181979.db2.gz AKRYTSHUTQGLLP-LBPRGKRZSA-N 1 0 310.369 3.926 20 5 DHBDRO CC[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579279485 1028367996 /nfs/dbraw/zinc/36/79/96/1028367996.db2.gz LUSFMYXYDFIOCP-BLLLJJGKSA-N 1 0 301.390 3.787 20 5 DHBDRO Cc1cc(C=C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000368565010 1028372890 /nfs/dbraw/zinc/37/28/90/1028372890.db2.gz ZBTQXRPDGNDPGR-UHFFFAOYSA-N 1 0 313.357 3.571 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(F)ccc1F ZINC000449128628 1028380197 /nfs/dbraw/zinc/38/01/97/1028380197.db2.gz SVKSUXKFISQFDT-NSHDSACASA-N 1 0 306.312 3.594 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1CNc1cc2c(c[nH+]1)CCC2 ZINC000815159193 1028385337 /nfs/dbraw/zinc/38/53/37/1028385337.db2.gz LTPJTTNOWNIZBP-UHFFFAOYSA-N 1 0 303.749 3.744 20 5 DHBDRO C[C@@H](Cc1ccoc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449228893 1028469559 /nfs/dbraw/zinc/46/95/59/1028469559.db2.gz WVRYVPCITYSHMK-NSHDSACASA-N 1 0 308.765 3.605 20 5 DHBDRO COc1cc(F)cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449243398 1028489863 /nfs/dbraw/zinc/48/98/63/1028489863.db2.gz KNIZPWMTWALRMS-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815581681 1028554618 /nfs/dbraw/zinc/55/46/18/1028554618.db2.gz MONXKJDTHUHDOQ-CYZMBNFOSA-N 1 0 309.435 3.502 20 5 DHBDRO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591485 1028559450 /nfs/dbraw/zinc/55/94/50/1028559450.db2.gz ITCJTXOAGWVLKV-SJKOYZFVSA-N 1 0 311.385 3.824 20 5 DHBDRO Cc1cccc(C)c1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596837 1028560885 /nfs/dbraw/zinc/56/08/85/1028560885.db2.gz GCXDNZJAXNTHEL-AWEZNQCLSA-N 1 0 313.401 3.687 20 5 DHBDRO CCC(CC)[C@H](CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000815596908 1028561084 /nfs/dbraw/zinc/56/10/84/1028561084.db2.gz HUCSEKPDBREVEQ-SJCJKPOMSA-N 1 0 323.437 3.669 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571249 1028565202 /nfs/dbraw/zinc/56/52/02/1028565202.db2.gz YSLKOYDZXPMRRG-LLVKDONJSA-N 1 0 319.792 3.724 20 5 DHBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620351 1028572368 /nfs/dbraw/zinc/57/23/68/1028572368.db2.gz OMNWWEQKONGCEY-NXEZZACHSA-N 1 0 319.327 3.949 20 5 DHBDRO COc1cc(F)cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000449338686 1028573512 /nfs/dbraw/zinc/57/35/12/1028573512.db2.gz HDRSZNZWUBOOHZ-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CSc2ccccc21 ZINC000449366031 1028576370 /nfs/dbraw/zinc/57/63/70/1028576370.db2.gz QUIFGCJJCZEYCM-AWEZNQCLSA-N 1 0 314.410 3.882 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000449373521 1028581311 /nfs/dbraw/zinc/58/13/11/1028581311.db2.gz RNOBPCWYRSPTJR-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449375671 1028586141 /nfs/dbraw/zinc/58/61/41/1028586141.db2.gz IITYVVAKVVGMPS-GFCCVEGCSA-N 1 0 320.414 3.526 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CSc3ccccc32)cs1 ZINC000449355921 1028589571 /nfs/dbraw/zinc/58/95/71/1028589571.db2.gz AHTCLZLZWSLNSB-LLVKDONJSA-N 1 0 306.412 3.635 20 5 DHBDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000566002543 1028665105 /nfs/dbraw/zinc/66/51/05/1028665105.db2.gz QNGHAHARPLBBHP-OAHLLOKOSA-N 1 0 308.422 3.557 20 5 DHBDRO CC[C@](C)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)OC ZINC000449480213 1028680059 /nfs/dbraw/zinc/68/00/59/1028680059.db2.gz XWDAAPYTRBYEFG-QGZVFWFLSA-N 1 0 318.373 3.760 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cncc(F)c3)C2)cc1 ZINC000449500878 1028717144 /nfs/dbraw/zinc/71/71/44/1028717144.db2.gz ONYDZMGHMCDIKY-OAHLLOKOSA-N 1 0 315.348 3.509 20 5 DHBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449507819 1028730492 /nfs/dbraw/zinc/73/04/92/1028730492.db2.gz UIEFCTHZTCGGST-CXAGYDPISA-N 1 0 306.406 3.575 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)c1 ZINC000449564179 1028805090 /nfs/dbraw/zinc/80/50/90/1028805090.db2.gz CDRIANYIUAKEMK-UHFFFAOYSA-N 1 0 300.333 3.599 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000566938791 1028805499 /nfs/dbraw/zinc/80/54/99/1028805499.db2.gz WEMDLRHYTUMWSZ-KGLIPLIRSA-N 1 0 312.369 3.730 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)cc1 ZINC000449566145 1028808619 /nfs/dbraw/zinc/80/86/19/1028808619.db2.gz NFOBQKGYYIDUFW-UHFFFAOYSA-N 1 0 300.333 3.599 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449757603 1028963757 /nfs/dbraw/zinc/96/37/57/1028963757.db2.gz DWXUPDDCHCYBIA-KYZJMWGYSA-N 1 0 304.390 3.545 20 5 DHBDRO CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000568817462 1029130033 /nfs/dbraw/zinc/13/00/33/1029130033.db2.gz PYIBYSOECFDUMD-GUYCJALGSA-N 1 0 319.449 3.636 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000569238561 1029199721 /nfs/dbraw/zinc/19/97/21/1029199721.db2.gz NORALJIERPLJBB-CYBMUJFWSA-N 1 0 317.776 3.633 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCOCC3)s2)cc1 ZINC000374328524 1029293338 /nfs/dbraw/zinc/29/33/38/1029293338.db2.gz ZWKATXXOYZDDBF-UHFFFAOYSA-N 1 0 318.398 3.546 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(Cl)c1 ZINC000570088380 1029311492 /nfs/dbraw/zinc/31/14/92/1029311492.db2.gz FLMLGWOGQQZFAQ-CYBMUJFWSA-N 1 0 317.776 3.633 20 5 DHBDRO CC[C@@H](N[C@H](C)c1cn(C(C)C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000925227797 1029407287 /nfs/dbraw/zinc/40/72/87/1029407287.db2.gz BHSWYWIHOBTLLI-IUODEOHRSA-N 1 0 317.393 3.569 20 5 DHBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186829320 1029460700 /nfs/dbraw/zinc/46/07/00/1029460700.db2.gz KDRJZVSMHXDODO-XKQJLSEDSA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@H](CC1CCCCC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819269206 1029527264 /nfs/dbraw/zinc/52/72/64/1029527264.db2.gz FAZYKCOMEDMUNN-CXAGYDPISA-N 1 0 306.406 3.577 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000450676841 1029618913 /nfs/dbraw/zinc/61/89/13/1029618913.db2.gz QQBLWJSCRJNQDI-KSSFIOAISA-N 1 0 314.385 3.503 20 5 DHBDRO CC[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000925232562 1029791966 /nfs/dbraw/zinc/79/19/66/1029791966.db2.gz XQPUHSKWUUHGBQ-DUFSDNGMSA-N 1 0 304.390 3.593 20 5 DHBDRO CC[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000925232566 1029791992 /nfs/dbraw/zinc/79/19/92/1029791992.db2.gz XQPUHSKWUUHGBQ-LMEGTBPZSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000451412480 1029870123 /nfs/dbraw/zinc/87/01/23/1029870123.db2.gz WRDJUKOEVREVJV-WCQYABFASA-N 1 0 316.323 3.800 20 5 DHBDRO CCO[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000451542041 1029909030 /nfs/dbraw/zinc/90/90/30/1029909030.db2.gz MRHMNXWELSJVMV-JJRVBVJISA-N 1 0 306.406 3.711 20 5 DHBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000163340575 1029921516 /nfs/dbraw/zinc/92/15/16/1029921516.db2.gz WKWGDIYRQFJIAH-YPMHNXCESA-N 1 0 303.362 3.794 20 5 DHBDRO CCCC[N@H+](CCOC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470177004 1029990961 /nfs/dbraw/zinc/99/09/61/1029990961.db2.gz ZVBYJWQIQVSTAT-QINSGFPZSA-N 1 0 306.406 3.747 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000451965970 1030070808 /nfs/dbraw/zinc/07/08/08/1030070808.db2.gz NURPOLVXXQCXLV-INIZCTEOSA-N 1 0 306.431 3.622 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)C1(Br)CC1)c1cccc([N+](=O)[O-])c1 ZINC000924799503 1030193599 /nfs/dbraw/zinc/19/35/99/1030193599.db2.gz SZNSHFFHYNCYBA-UWVGGRQHSA-N 1 0 313.195 3.561 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000866271802 1030195197 /nfs/dbraw/zinc/19/51/97/1030195197.db2.gz FBPIRBKTMCXVHZ-MLGOLLRUSA-N 1 0 317.364 3.801 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000357800572 1030195362 /nfs/dbraw/zinc/19/53/62/1030195362.db2.gz JLLMAQDOWCDZLX-HOTGVXAUSA-N 1 0 308.422 3.821 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC(F)(F)F ZINC000866275404 1030196594 /nfs/dbraw/zinc/19/65/94/1030196594.db2.gz APSYCGNHARAKBI-VIFPVBQESA-N 1 0 308.275 3.597 20 5 DHBDRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866275082 1030196839 /nfs/dbraw/zinc/19/68/39/1030196839.db2.gz XBSOGKBYOTVEIB-ZLKJLUDKSA-N 1 0 312.410 3.539 20 5 DHBDRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866275080 1030197346 /nfs/dbraw/zinc/19/73/46/1030197346.db2.gz XBSOGKBYOTVEIB-LEWSCRJBSA-N 1 0 312.410 3.539 20 5 DHBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866339164 1030239790 /nfs/dbraw/zinc/23/97/90/1030239790.db2.gz FTLRFKBSBZAJJS-CABZTGNLSA-N 1 0 322.302 3.986 20 5 DHBDRO C[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000358038705 1030290119 /nfs/dbraw/zinc/29/01/19/1030290119.db2.gz PDLIXJFVXMDANT-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO CC[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1cccc([N+](=O)[O-])c1 ZINC000925232103 1030314821 /nfs/dbraw/zinc/31/48/21/1030314821.db2.gz VYMOKNNNLKUFFR-BFHRDPOASA-N 1 0 318.417 3.983 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000866528093 1030343822 /nfs/dbraw/zinc/34/38/22/1030343822.db2.gz BIOUKKFBTBVCBS-CABCVRRESA-N 1 0 318.417 3.761 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000866527736 1030344420 /nfs/dbraw/zinc/34/44/20/1030344420.db2.gz NHZIGAUOAFBABU-GDBMZVCRSA-N 1 0 318.417 3.761 20 5 DHBDRO CC[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358158178 1030348565 /nfs/dbraw/zinc/34/85/65/1030348565.db2.gz PGPMSBWEQISJEB-DLBZAZTESA-N 1 0 318.348 3.508 20 5 DHBDRO Cc1cccc2ncc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)n21 ZINC000358288655 1030421939 /nfs/dbraw/zinc/42/19/39/1030421939.db2.gz NWXGYKWMANRLHR-UHFFFAOYSA-N 1 0 324.384 3.576 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000558509501 1030611957 /nfs/dbraw/zinc/61/19/57/1030611957.db2.gz VFCMWWZSFHJWGS-LSDHHAIUSA-N 1 0 307.438 3.674 20 5 DHBDRO C[C@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824766173 1030627615 /nfs/dbraw/zinc/62/76/15/1030627615.db2.gz SKXPGSWHWXGOOC-DIECRNLCSA-N 1 0 315.200 3.782 20 5 DHBDRO Cc1ccc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000824964505 1030671103 /nfs/dbraw/zinc/67/11/03/1030671103.db2.gz ZRIUOYQDMHXBCJ-CYBMUJFWSA-N 1 0 317.216 3.967 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1CNc1ccc2c([nH+]1)CCC2 ZINC000825124218 1030730148 /nfs/dbraw/zinc/73/01/48/1030730148.db2.gz KJRDKFOOGJNGPW-UHFFFAOYSA-N 1 0 303.749 3.744 20 5 DHBDRO CCC[C@H](NC[C@@H](C)[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000359021264 1030734664 /nfs/dbraw/zinc/73/46/64/1030734664.db2.gz UHGOFXXCZHIOIG-PBHICJAKSA-N 1 0 307.438 3.756 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)ccc1F ZINC000558740735 1030763699 /nfs/dbraw/zinc/76/36/99/1030763699.db2.gz OBPASZAKGBLIKE-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000339092020 1030801129 /nfs/dbraw/zinc/80/11/29/1030801129.db2.gz SDOLRIJTXDYGMM-UHFFFAOYSA-N 1 0 318.398 3.742 20 5 DHBDRO COc1ccc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000359292236 1030889675 /nfs/dbraw/zinc/88/96/75/1030889675.db2.gz DPBFHBJDNSHZFQ-CXAGYDPISA-N 1 0 304.390 3.616 20 5 DHBDRO CCCCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000359329684 1030910190 /nfs/dbraw/zinc/91/01/90/1030910190.db2.gz JBLQOJVBDHSSIL-CYBMUJFWSA-N 1 0 316.405 3.751 20 5 DHBDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000359558460 1031027600 /nfs/dbraw/zinc/02/76/00/1031027600.db2.gz OJTVDFYGBXGOOS-SJCJKPOMSA-N 1 0 315.373 3.748 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000359559002 1031027724 /nfs/dbraw/zinc/02/77/24/1031027724.db2.gz OYNCHYPWQOEQOH-GUYCJALGSA-N 1 0 304.390 3.616 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000927018166 1031036122 /nfs/dbraw/zinc/03/61/22/1031036122.db2.gz OLNODZDUSMEZLS-CJNGLKHVSA-N 1 0 304.390 3.737 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927070189 1031071573 /nfs/dbraw/zinc/07/15/73/1031071573.db2.gz POVITZUBODYVRW-SZMVWBNQSA-N 1 0 318.417 3.841 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000927165187 1031127000 /nfs/dbraw/zinc/12/70/00/1031127000.db2.gz ZYSIXFYOAONXOA-CJNGLKHVSA-N 1 0 304.390 3.656 20 5 DHBDRO O=[N+]([O-])c1cc(CN2CCC[C@@]3(CC3(F)F)C2)ccc1Cl ZINC000844439424 1031142317 /nfs/dbraw/zinc/14/23/17/1031142317.db2.gz WYMBBQWRSAABLX-CYBMUJFWSA-N 1 0 316.735 3.869 20 5 DHBDRO COCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000292866483 1031221836 /nfs/dbraw/zinc/22/18/36/1031221836.db2.gz CUXZSTKDFHFERC-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO COc1cc(C[NH2+]CC[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000360052925 1031258726 /nfs/dbraw/zinc/25/87/26/1031258726.db2.gz KWLKVQMQTRCOOA-QWHCGFSZSA-N 1 0 322.405 3.615 20 5 DHBDRO C[C@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000777699851 1031366547 /nfs/dbraw/zinc/36/65/47/1031366547.db2.gz FEMIGAOQFGGPTH-LBPRGKRZSA-N 1 0 317.364 3.969 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872023438 1031408231 /nfs/dbraw/zinc/40/82/31/1031408231.db2.gz HKCZWCBYOZFUFE-BLLLJJGKSA-N 1 0 318.348 3.772 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034978 1031418881 /nfs/dbraw/zinc/41/88/81/1031418881.db2.gz SUXKGMRBDMMZBI-RYUDHWBXSA-N 1 0 318.348 3.721 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872034976 1031418948 /nfs/dbraw/zinc/41/89/48/1031418948.db2.gz SUXKGMRBDMMZBI-NEPJUHHUSA-N 1 0 318.348 3.721 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037718 1031421102 /nfs/dbraw/zinc/42/11/02/1031421102.db2.gz FNZGXYRMUHSJMK-DPDCMNJDSA-N 1 0 322.380 3.588 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000872042615 1031427831 /nfs/dbraw/zinc/42/78/31/1031427831.db2.gz CJLJCRWXBNMQMH-FRRDWIJNSA-N 1 0 324.446 3.782 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(F)(F)F ZINC000872043460 1031431778 /nfs/dbraw/zinc/43/17/78/1031431778.db2.gz YKTIBEVZZPXZAX-MRVPVSSYSA-N 1 0 308.325 3.920 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C)CCOCC1 ZINC000872047372 1031435473 /nfs/dbraw/zinc/43/54/73/1031435473.db2.gz ATCPBRWMTVDKOJ-GFCCVEGCSA-N 1 0 324.446 3.784 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000872052091 1031440239 /nfs/dbraw/zinc/44/02/39/1031440239.db2.gz BQLBTZUSQJEJJB-NWDGAFQWSA-N 1 0 310.419 3.536 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000872060416 1031453181 /nfs/dbraw/zinc/45/31/81/1031453181.db2.gz PWSMNSFWTRZSSJ-AVGNSLFASA-N 1 0 324.446 3.782 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069893 1031464902 /nfs/dbraw/zinc/46/49/02/1031464902.db2.gz RJLCCYRMTVBVRD-CRWXNKLISA-N 1 0 324.396 3.978 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872072644 1031468884 /nfs/dbraw/zinc/46/88/84/1031468884.db2.gz HZSWWWZVYZEFCI-RYUDHWBXSA-N 1 0 316.332 3.561 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872072645 1031470236 /nfs/dbraw/zinc/47/02/36/1031470236.db2.gz HZSWWWZVYZEFCI-VXGBXAGGSA-N 1 0 316.332 3.561 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000872076124 1031471524 /nfs/dbraw/zinc/47/15/24/1031471524.db2.gz XZNSHYNXLZKEDW-HZMBPMFUSA-N 1 0 310.419 3.535 20 5 DHBDRO C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872075841 1031472246 /nfs/dbraw/zinc/47/22/46/1031472246.db2.gz GTLPAXLOUVWBQE-UFBFGSQYSA-N 1 0 321.179 3.968 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000872078794 1031473681 /nfs/dbraw/zinc/47/36/81/1031473681.db2.gz JYFGTHXSBVZPDA-GARJFASQSA-N 1 0 312.460 3.861 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000872080280 1031476269 /nfs/dbraw/zinc/47/62/69/1031476269.db2.gz VECYBGJWVJSBCQ-RVMXOQNASA-N 1 0 324.446 3.781 20 5 DHBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872080129 1031476862 /nfs/dbraw/zinc/47/68/62/1031476862.db2.gz STWGFWSDIWNYCA-HONMWMINSA-N 1 0 310.419 3.535 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000872080850 1031477017 /nfs/dbraw/zinc/47/70/17/1031477017.db2.gz SZXUGQNMMPFRSP-RWMBFGLXSA-N 1 0 324.446 3.518 20 5 DHBDRO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093206 1031490594 /nfs/dbraw/zinc/49/05/94/1031490594.db2.gz HGWVBGYHZAIGDJ-IUODEOHRSA-N 1 0 322.380 3.876 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093825 1031490672 /nfs/dbraw/zinc/49/06/72/1031490672.db2.gz XKKDRWZSSIEWKY-XTQGRXLLSA-N 1 0 322.380 3.590 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000872108592 1031500181 /nfs/dbraw/zinc/50/01/81/1031500181.db2.gz AMCWYSDXOCKXCA-HJWJTTGWSA-N 1 0 304.390 3.593 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872109275 1031501557 /nfs/dbraw/zinc/50/15/57/1031501557.db2.gz KDEYTGBDFMZMPH-YXPYIKCWSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1[N+](=O)[O-] ZINC000872110199 1031501696 /nfs/dbraw/zinc/50/16/96/1031501696.db2.gz WQRZUHFWINHKQD-QEWYBTABSA-N 1 0 304.390 3.511 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000872135497 1031531413 /nfs/dbraw/zinc/53/14/13/1031531413.db2.gz HVGNJQVVGSHDOR-BVGQSLNGSA-N 1 0 314.385 3.758 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872260061 1031564717 /nfs/dbraw/zinc/56/47/17/1031564717.db2.gz HKNOMJRGIBXRKB-MRXNPFEDSA-N 1 0 304.390 3.518 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000872260300 1031566360 /nfs/dbraw/zinc/56/63/60/1031566360.db2.gz UAFTXLXQVYBGPA-KRWDZBQOSA-N 1 0 318.417 3.827 20 5 DHBDRO CC1([NH+]2CCCCC2)CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000872665789 1031639609 /nfs/dbraw/zinc/63/96/09/1031639609.db2.gz SXOGXJQDFVFRGO-UHFFFAOYSA-N 1 0 309.435 3.501 20 5 DHBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000124329538 1031685297 /nfs/dbraw/zinc/68/52/97/1031685297.db2.gz PBUPSEWFJSMJNQ-LLVKDONJSA-N 1 0 302.827 3.822 20 5 DHBDRO COc1ccccc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873006340 1031689682 /nfs/dbraw/zinc/68/96/82/1031689682.db2.gz FJMRZIZAOZPHPP-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO Cc1c(C[NH2+]CCCCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000873100187 1031708471 /nfs/dbraw/zinc/70/84/71/1031708471.db2.gz MZGZQMINTPWKGE-UHFFFAOYSA-N 1 0 322.405 3.505 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000873104801 1031711245 /nfs/dbraw/zinc/71/12/45/1031711245.db2.gz QZPPJTRBHNPTML-HIFRSBDPSA-N 1 0 306.406 3.506 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873155925 1031729216 /nfs/dbraw/zinc/72/92/16/1031729216.db2.gz IJNMWQFMMARDMN-NLCJQABLSA-N 1 0 316.401 3.545 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cccs2)cc1[N+](=O)[O-] ZINC000152589969 1031776857 /nfs/dbraw/zinc/77/68/57/1031776857.db2.gz WSWVRJDNEPUWTD-LBPRGKRZSA-N 1 0 320.414 3.948 20 5 DHBDRO Cc1ccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000846103275 1031874586 /nfs/dbraw/zinc/87/45/86/1031874586.db2.gz VSRPPEDIFXAAJO-LBPRGKRZSA-N 1 0 317.216 3.967 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000927029164 1033338262 /nfs/dbraw/zinc/33/82/62/1033338262.db2.gz OQVXDJNFPVNSIB-UHIISALHSA-N 1 0 312.410 3.539 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000877544422 1033347011 /nfs/dbraw/zinc/34/70/11/1033347011.db2.gz WWOHYJLEZJXGGX-LSDHHAIUSA-N 1 0 310.344 3.689 20 5 DHBDRO CS[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000877700753 1033415645 /nfs/dbraw/zinc/41/56/45/1033415645.db2.gz UXTYIPJULYZFQG-XYPYZODXSA-N 1 0 320.336 3.597 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccoc1 ZINC001172904267 1033436899 /nfs/dbraw/zinc/43/68/99/1033436899.db2.gz WCDKHPZUDVKURA-BLLLJJGKSA-N 1 0 300.358 3.786 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000877760614 1033438028 /nfs/dbraw/zinc/43/80/28/1033438028.db2.gz JDRVGQGAYGMBRG-ZIAGYGMSSA-N 1 0 314.307 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H]3CCC[C@@H]3C1)CC2 ZINC001172906997 1033441228 /nfs/dbraw/zinc/44/12/28/1033441228.db2.gz ZLZCZNHTGWJVOB-BMGDILEWSA-N 1 0 314.429 3.964 20 5 DHBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000877779140 1033444659 /nfs/dbraw/zinc/44/46/59/1033444659.db2.gz ZKOONCWRTISTJK-GZMMTYOYSA-N 1 0 321.204 3.541 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913929 1033461030 /nfs/dbraw/zinc/46/10/30/1033461030.db2.gz VVDRAJYCFSKNDQ-VBQJREDUSA-N 1 0 302.418 3.820 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccn1 ZINC001172895399 1033462177 /nfs/dbraw/zinc/46/21/77/1033462177.db2.gz CLNCAZNUMONDCA-XJKSGUPXSA-N 1 0 311.385 3.588 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(F)(F)CC1)CC2 ZINC001172909235 1033482903 /nfs/dbraw/zinc/48/29/03/1033482903.db2.gz RGVRXROILMNBIH-CQSZACIVSA-N 1 0 310.344 3.573 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000152618396 1033531446 /nfs/dbraw/zinc/53/14/46/1033531446.db2.gz LVWDRNFLDJFOAD-QWHCGFSZSA-N 1 0 315.373 3.800 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c1F ZINC001173175913 1033580850 /nfs/dbraw/zinc/58/08/50/1033580850.db2.gz UXUMZFTWWQOZGA-OBJOEFQTSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2[C@H](C)CCC[C@@H]2C)c1F ZINC001173181062 1033581777 /nfs/dbraw/zinc/58/17/77/1033581777.db2.gz BGMKATIQIJKQHN-FRRDWIJNSA-N 1 0 324.396 3.936 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C)(C)CC2CC2)c1F ZINC001173181024 1033582028 /nfs/dbraw/zinc/58/20/28/1033582028.db2.gz NKUBQFPSPHQNKG-LLVKDONJSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC3(CCC3)C2)c1F ZINC001173195168 1033586659 /nfs/dbraw/zinc/58/66/59/1033586659.db2.gz CNVGUAIOLNCWTJ-LBPRGKRZSA-N 1 0 322.380 3.550 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCCC23CC3)c1F ZINC001173197318 1033589895 /nfs/dbraw/zinc/58/98/95/1033589895.db2.gz SPKFNGAYWWKZQA-LBPRGKRZSA-N 1 0 322.380 3.692 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)Cc1ccccn1 ZINC001173218160 1033598020 /nfs/dbraw/zinc/59/80/20/1033598020.db2.gz BUXMRAZCWBJJOH-AWEZNQCLSA-N 1 0 313.401 3.532 20 5 DHBDRO CCOc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173215096 1033598094 /nfs/dbraw/zinc/59/80/94/1033598094.db2.gz RWVWKZAFQLCCHQ-AWEZNQCLSA-N 1 0 314.385 3.714 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2cnccc21 ZINC001173220600 1033600747 /nfs/dbraw/zinc/60/07/47/1033600747.db2.gz DDJIVKXFPWUFEO-AWEZNQCLSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@H](COc1ccccc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222689 1033603228 /nfs/dbraw/zinc/60/32/28/1033603228.db2.gz YOLUCMSDAGGEEL-LSDHHAIUSA-N 1 0 314.385 3.583 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC001173231212 1033605173 /nfs/dbraw/zinc/60/51/73/1033605173.db2.gz KKJZBFJGIGYWKL-CABCVRRESA-N 1 0 310.397 3.973 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001173227574 1033605878 /nfs/dbraw/zinc/60/58/78/1033605878.db2.gz QXLYWFYMOKJRTA-KSSFIOAISA-N 1 0 311.385 3.758 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2C[C@H]1C ZINC001173231216 1033606019 /nfs/dbraw/zinc/60/60/19/1033606019.db2.gz KKJZBFJGIGYWKL-LSDHHAIUSA-N 1 0 310.397 3.973 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001173227571 1033606226 /nfs/dbraw/zinc/60/62/26/1033606226.db2.gz QXLYWFYMOKJRTA-KBXCAEBGSA-N 1 0 311.385 3.758 20 5 DHBDRO Cc1nc([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001173213114 1033614288 /nfs/dbraw/zinc/61/42/88/1033614288.db2.gz FJYIYXAYKZMLIS-QWRGUYRKSA-N 1 0 305.403 3.642 20 5 DHBDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173214569 1033615167 /nfs/dbraw/zinc/61/51/67/1033615167.db2.gz PFYZVTVAVLNFOQ-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000878374918 1033681443 /nfs/dbraw/zinc/68/14/43/1033681443.db2.gz ZKDBVRBOKHWZND-STQMWFEESA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC=C(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000878648165 1033782261 /nfs/dbraw/zinc/78/22/61/1033782261.db2.gz MGOWNLPGRWJUAQ-UHFFFAOYSA-N 1 0 309.369 3.588 20 5 DHBDRO O=C1OC[C@@H]2C[N@H+](Cc3c4ccccc4cc4ccccc43)C[C@H]12 ZINC000862545381 1033882983 /nfs/dbraw/zinc/88/29/83/1033882983.db2.gz RCYQMNGQELGCLJ-LPHOPBHVSA-N 1 0 317.388 3.598 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CCCC(F)(F)F ZINC000480249996 1034154720 /nfs/dbraw/zinc/15/47/20/1034154720.db2.gz FSHDTLFBKNJUOE-SNVBAGLBSA-N 1 0 320.311 3.814 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cc1[N+](=O)[O-] ZINC000480467352 1034254736 /nfs/dbraw/zinc/25/47/36/1034254736.db2.gz LXNRRVKATDMKDL-INIZCTEOSA-N 1 0 318.417 3.875 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000179121319 1034285004 /nfs/dbraw/zinc/28/50/04/1034285004.db2.gz MUZYBFFQGRECKX-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000184300982 1034463205 /nfs/dbraw/zinc/46/32/05/1034463205.db2.gz QGJRDCLHVKKVSX-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CCS[C@H]1CCCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000480944109 1034517604 /nfs/dbraw/zinc/51/76/04/1034517604.db2.gz YKNWTCKWHBTKTM-AWEZNQCLSA-N 1 0 324.446 3.581 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000186724961 1034654679 /nfs/dbraw/zinc/65/46/79/1034654679.db2.gz VZCLJBMBVSYZOE-PWSUYJOCSA-N 1 0 305.403 3.814 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CC1(C)C ZINC001174908272 1034674569 /nfs/dbraw/zinc/67/45/69/1034674569.db2.gz YAXMDFLYEVTMFH-AWEZNQCLSA-N 1 0 306.406 3.860 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000187667785 1034722240 /nfs/dbraw/zinc/72/22/40/1034722240.db2.gz NZGCNQDLDPUZLT-RDTXWAMCSA-N 1 0 314.385 3.543 20 5 DHBDRO CC[C@H]1CCCC[C@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000600155149 1034774524 /nfs/dbraw/zinc/77/45/24/1034774524.db2.gz DDWVMXACVDHIGU-GJZGRUSLSA-N 1 0 320.437 3.645 20 5 DHBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC(F)(F)C1 ZINC000600164855 1034786877 /nfs/dbraw/zinc/78/68/77/1034786877.db2.gz OJJDVZJJTOYGDR-SNVBAGLBSA-N 1 0 323.343 3.642 20 5 DHBDRO C[C@@H]1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000600182362 1034795636 /nfs/dbraw/zinc/79/56/36/1034795636.db2.gz AYHUZLRCEVORHQ-MVTQWGDUSA-N 1 0 310.344 3.831 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000481722137 1034950788 /nfs/dbraw/zinc/95/07/88/1034950788.db2.gz JMHUPQZWDUIZQX-UHFFFAOYSA-N 1 0 324.380 3.521 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000481730063 1034953107 /nfs/dbraw/zinc/95/31/07/1034953107.db2.gz SFJKAURAORSUIT-UHFFFAOYSA-N 1 0 308.381 3.685 20 5 DHBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000159425896 1035051799 /nfs/dbraw/zinc/05/17/99/1035051799.db2.gz JBOKKCSGYBBCDT-UHFFFAOYSA-N 1 0 315.211 3.835 20 5 DHBDRO Cc1ccc([C@H](C)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000482630804 1035148903 /nfs/dbraw/zinc/14/89/03/1035148903.db2.gz MVVDWHQVVZKENP-OAGGEKHMSA-N 1 0 319.449 3.817 20 5 DHBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc2ccccc21 ZINC001176217285 1035225249 /nfs/dbraw/zinc/22/52/49/1035225249.db2.gz FSIIJOGVJNOXMU-KRWDZBQOSA-N 1 0 324.384 3.685 20 5 DHBDRO COC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCCC1 ZINC000483174052 1035235558 /nfs/dbraw/zinc/23/55/58/1035235558.db2.gz ITYZVHHEMUYKBY-UHFFFAOYSA-N 1 0 306.406 3.764 20 5 DHBDRO CCOc1cc(C[N@H+](CC2CC2)C2CCC2)ccc1[N+](=O)[O-] ZINC000483307669 1035256201 /nfs/dbraw/zinc/25/62/01/1035256201.db2.gz NNJSMOSFRHHJBZ-UHFFFAOYSA-N 1 0 304.390 3.758 20 5 DHBDRO CCC[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000484481186 1035345038 /nfs/dbraw/zinc/34/50/38/1035345038.db2.gz DBESNXJQZGAHTR-KSZLIROESA-N 1 0 320.433 3.967 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc2cnccc2o1)c1cccc([N+](=O)[O-])c1 ZINC001178204599 1035414719 /nfs/dbraw/zinc/41/47/19/1035414719.db2.gz JVVBVNIJBSDHEN-MRXNPFEDSA-N 1 0 311.341 3.977 20 5 DHBDRO COc1ccc(C[N@H+]2CC=C(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000535407081 1035612965 /nfs/dbraw/zinc/61/29/65/1035612965.db2.gz ZBWNKYBAXHUMML-UHFFFAOYSA-N 1 0 304.390 3.782 20 5 DHBDRO CCC[C@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000386170137 1035723380 /nfs/dbraw/zinc/72/33/80/1035723380.db2.gz MOBXXJOMZMBBDU-ZWKOTPCHSA-N 1 0 320.433 3.967 20 5 DHBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc2ccccc2c2cccnc12 ZINC000494669377 1035764619 /nfs/dbraw/zinc/76/46/19/1035764619.db2.gz UZDCUEHTCKQHSD-AWEZNQCLSA-N 1 0 321.424 3.635 20 5 DHBDRO CC(C)CC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089886341 1035766069 /nfs/dbraw/zinc/76/60/69/1035766069.db2.gz VFQXQXAMNZKQKM-UHFFFAOYSA-N 1 0 303.362 3.728 20 5 DHBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907259 1035785440 /nfs/dbraw/zinc/78/54/40/1035785440.db2.gz WKVKEDDWHOLWGN-CHWSQXEVSA-N 1 0 315.373 3.870 20 5 DHBDRO COc1ccc(-c2ccc(C[N@H+](C)C3CCC3)o2)c([N+](=O)[O-])c1 ZINC000539834732 1035891158 /nfs/dbraw/zinc/89/11/58/1035891158.db2.gz KWCCMWXZFMAFDK-UHFFFAOYSA-N 1 0 316.357 3.848 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc(C(F)(F)F)c1 ZINC001181418028 1035905385 /nfs/dbraw/zinc/90/53/85/1035905385.db2.gz HTEUWZGHOLRENO-LEWSCRJBSA-N 1 0 314.307 3.892 20 5 DHBDRO COc1cc(C[N@H+](C)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000485766454 1035943261 /nfs/dbraw/zinc/94/32/61/1035943261.db2.gz OBOHHEIXCGFJRC-UHFFFAOYSA-N 1 0 320.776 3.889 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000485787495 1035968410 /nfs/dbraw/zinc/96/84/10/1035968410.db2.gz CZKYTYQCTJODDQ-OAHLLOKOSA-N 1 0 304.390 3.758 20 5 DHBDRO Cc1ccncc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000540186658 1036004967 /nfs/dbraw/zinc/00/49/67/1036004967.db2.gz HVXXFUMVMHGHKE-OAHLLOKOSA-N 1 0 313.401 3.972 20 5 DHBDRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000773978555 1036101966 /nfs/dbraw/zinc/10/19/66/1036101966.db2.gz UPNRZZYBYFTAAU-SUMWQHHRSA-N 1 0 306.406 3.529 20 5 DHBDRO C[C@H](Cc1ccco1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774114993 1036158450 /nfs/dbraw/zinc/15/84/50/1036158450.db2.gz JFFXGUSHSXKJCA-PXAZEXFGSA-N 1 0 300.358 3.786 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000774193735 1036216372 /nfs/dbraw/zinc/21/63/72/1036216372.db2.gz VLEOHNVGXNFVAX-MCIONIFRSA-N 1 0 308.426 3.547 20 5 DHBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000541202521 1036258529 /nfs/dbraw/zinc/25/85/29/1036258529.db2.gz LEQDSCVTSVMSNO-NWDGAFQWSA-N 1 0 320.414 3.572 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000541571669 1036370286 /nfs/dbraw/zinc/37/02/86/1036370286.db2.gz SJFBPCYSUXDHRP-JTQLQIEISA-N 1 0 324.302 3.905 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000541772684 1036429063 /nfs/dbraw/zinc/42/90/63/1036429063.db2.gz HYSVMFGAKOQENN-QGZVFWFLSA-N 1 0 306.406 3.540 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271637189 1036429189 /nfs/dbraw/zinc/42/91/89/1036429189.db2.gz ZICYHRYYMBTONC-KEYYUXOJSA-N 1 0 306.406 3.841 20 5 DHBDRO CC(C)CSCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000443600043 1036432920 /nfs/dbraw/zinc/43/29/20/1036432920.db2.gz DOCMLHHNOUDSRF-UHFFFAOYSA-N 1 0 308.447 3.732 20 5 DHBDRO CC1(C)CC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000193317090 1036501136 /nfs/dbraw/zinc/50/11/36/1036501136.db2.gz QCUUOUBGSIISJJ-GOEBONIOSA-N 1 0 304.390 3.519 20 5 DHBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC001196328455 1036503307 /nfs/dbraw/zinc/50/33/07/1036503307.db2.gz AEASWSVNUYCBHQ-HNNXBMFYSA-N 1 0 304.390 3.845 20 5 DHBDRO CS[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001183146224 1036526733 /nfs/dbraw/zinc/52/67/33/1036526733.db2.gz RJIDJVLKRZKXOT-TUUVXOQKSA-N 1 0 320.458 3.790 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000271834002 1036563673 /nfs/dbraw/zinc/56/36/73/1036563673.db2.gz RPAQTZUYBGRALC-SDNTUTLCSA-N 1 0 316.401 3.511 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCSC2)cc(C(F)(F)F)c1 ZINC000487202312 1036582924 /nfs/dbraw/zinc/58/29/24/1036582924.db2.gz TZYJIJNRYSJKJV-NSHDSACASA-N 1 0 320.336 3.599 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC(CCF)CC1 ZINC001196758639 1036599582 /nfs/dbraw/zinc/59/95/82/1036599582.db2.gz HFTWZCOUECNVCJ-UHFFFAOYSA-N 1 0 300.761 3.820 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](C3CCC3)CC2)cc1 ZINC001197202080 1036707241 /nfs/dbraw/zinc/70/72/41/1036707241.db2.gz LORFEQRAMPSWAC-MAUKXSAKSA-N 1 0 318.417 3.530 20 5 DHBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271961492 1036757384 /nfs/dbraw/zinc/75/73/84/1036757384.db2.gz DLYDBFAOMWHCIE-JLJPHGGASA-N 1 0 306.406 3.839 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC001184337401 1036816234 /nfs/dbraw/zinc/81/62/34/1036816234.db2.gz GENLGQVWWZWVQY-HZPDHXFCSA-N 1 0 314.360 3.702 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1=CCOCC1 ZINC001184338256 1036818233 /nfs/dbraw/zinc/81/82/33/1036818233.db2.gz LXXQDMOXBRSWPN-UHFFFAOYSA-N 1 0 324.808 3.711 20 5 DHBDRO CC(C)C[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000272036014 1036903952 /nfs/dbraw/zinc/90/39/52/1036903952.db2.gz VETIGQIWFYLOKX-DGDBIBOCSA-N 1 0 318.417 3.791 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000492626170 1036948408 /nfs/dbraw/zinc/94/84/08/1036948408.db2.gz ADUDZTSSWMVBJP-GJZGRUSLSA-N 1 0 304.390 3.758 20 5 DHBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC001184865855 1036964660 /nfs/dbraw/zinc/96/46/60/1036964660.db2.gz YNJPBTMCAAJHAH-STQMWFEESA-N 1 0 309.385 3.514 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCSC[C@H]1C ZINC001198518329 1037057323 /nfs/dbraw/zinc/05/73/23/1037057323.db2.gz YFWVWUNNWIIZCN-CYBMUJFWSA-N 1 0 324.446 3.709 20 5 DHBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774863491 1037129611 /nfs/dbraw/zinc/12/96/11/1037129611.db2.gz NRNKXDOOEUULSZ-AWEZNQCLSA-N 1 0 321.377 3.904 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3ccccn3)o2)c1 ZINC001198981213 1037176755 /nfs/dbraw/zinc/17/67/55/1037176755.db2.gz ZOUNPQRHXOLMRV-UHFFFAOYSA-N 1 0 323.352 3.582 20 5 DHBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774906715 1037198907 /nfs/dbraw/zinc/19/89/07/1037198907.db2.gz YEAXUJGGECHDKG-NWDGAFQWSA-N 1 0 307.350 3.514 20 5 DHBDRO Cc1ccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000597227000 1037246632 /nfs/dbraw/zinc/24/66/32/1037246632.db2.gz ZDNIFMXDCZRNFH-SFHVURJKSA-N 1 0 318.417 3.684 20 5 DHBDRO Cc1ccccc1OCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000487675349 1037248758 /nfs/dbraw/zinc/24/87/58/1037248758.db2.gz QHESTRRTPACBPL-OAHLLOKOSA-N 1 0 314.385 3.975 20 5 DHBDRO COc1cc(CN2CCc3ccccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000489157379 1037289581 /nfs/dbraw/zinc/28/95/81/1037289581.db2.gz WETMEMJFTZHKAS-CYBMUJFWSA-N 1 0 312.369 3.723 20 5 DHBDRO CCC(CC)[N@H+](CCOC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761505993 1037338444 /nfs/dbraw/zinc/33/84/44/1037338444.db2.gz KZIZZWRCZOQHDW-UHFFFAOYSA-N 1 0 314.813 3.885 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)cc1Cl ZINC000761522496 1037343565 /nfs/dbraw/zinc/34/35/65/1037343565.db2.gz RQMSBZHTWJFOPH-OAHLLOKOSA-N 1 0 316.788 3.895 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC2CCCCC2)cc1Cl ZINC000761519513 1037345861 /nfs/dbraw/zinc/34/58/61/1037345861.db2.gz ALRUUBPASQOKIM-UHFFFAOYSA-N 1 0 312.797 3.687 20 5 DHBDRO Cc1nc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000761525334 1037350852 /nfs/dbraw/zinc/35/08/52/1037350852.db2.gz GQAMUWHSBYKFBH-UHFFFAOYSA-N 1 0 311.794 3.611 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)Oc1ccccc1 ZINC000761525348 1037352520 /nfs/dbraw/zinc/35/25/20/1037352520.db2.gz HBVQOMGMNGCKAO-LBPRGKRZSA-N 1 0 320.776 3.805 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC12CCC2 ZINC000775054960 1037523459 /nfs/dbraw/zinc/52/34/59/1037523459.db2.gz DAQDDCLWOFZEKP-GFCCVEGCSA-N 1 0 319.361 3.515 20 5 DHBDRO Cc1cnc(NC[C@H]2CC[N@@H+]2C2CCCCCC2)c([N+](=O)[O-])c1 ZINC001187361323 1037619399 /nfs/dbraw/zinc/61/93/99/1037619399.db2.gz JTGAJVKVFQQKGN-OAHLLOKOSA-N 1 0 318.421 3.507 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3C=CCCC3)cs2)c1 ZINC000151138308 1037731497 /nfs/dbraw/zinc/73/14/97/1037731497.db2.gz WBJXIKIRAYBTSW-ZDUSSCGKSA-N 1 0 315.398 3.917 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)SC)cc1[N+](=O)[O-] ZINC000154089951 1037806518 /nfs/dbraw/zinc/80/65/18/1037806518.db2.gz MHEAJSNKDHKXJG-LLVKDONJSA-N 1 0 312.435 3.786 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccsc1 ZINC000029622862 1037831848 /nfs/dbraw/zinc/83/18/48/1037831848.db2.gz FLMRKSLIFHNCBZ-CQSZACIVSA-N 1 0 320.418 3.546 20 5 DHBDRO CCOc1cc(C[NH+]2CCC3(CCC3)CC2)ccc1[N+](=O)[O-] ZINC000586783261 1037966468 /nfs/dbraw/zinc/96/64/68/1037966468.db2.gz SMXPSPAPPCWVFV-UHFFFAOYSA-N 1 0 304.390 3.760 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000609196491 1038073821 /nfs/dbraw/zinc/07/38/21/1038073821.db2.gz VYMLPBPLVUGIEW-CYBMUJFWSA-N 1 0 318.323 3.863 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(C(F)(F)F)CC1 ZINC000571224924 1038112955 /nfs/dbraw/zinc/11/29/55/1038112955.db2.gz OIDPPQXRFGVQJJ-LLVKDONJSA-N 1 0 300.280 3.514 20 5 DHBDRO COC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000775321136 1038223430 /nfs/dbraw/zinc/22/34/30/1038223430.db2.gz PCHSDSIDCNPTHA-UHFFFAOYSA-N 1 0 312.797 3.687 20 5 DHBDRO CC[C@@](C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000775391396 1038331215 /nfs/dbraw/zinc/33/12/15/1038331215.db2.gz ULMHHFRPOVVVIU-QZTJIDSGSA-N 1 0 314.385 3.543 20 5 DHBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC001190643070 1038361356 /nfs/dbraw/zinc/36/13/56/1038361356.db2.gz IOKNOCJTTGRDGG-INIZCTEOSA-N 1 0 320.437 3.535 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCc1cccc(F)c1F ZINC000572738590 1038496538 /nfs/dbraw/zinc/49/65/38/1038496538.db2.gz LXDHPMRUZUJREM-UHFFFAOYSA-N 1 0 320.339 3.590 20 5 DHBDRO CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001191560029 1038521214 /nfs/dbraw/zinc/52/12/14/1038521214.db2.gz VIXJJSZSIVRTPS-JTQLQIEISA-N 1 0 313.195 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C2CC2)cc1 ZINC001192927889 1038722112 /nfs/dbraw/zinc/72/21/12/1038722112.db2.gz CZNQAGMOGGTJFX-OWCLPIDISA-N 1 0 300.402 3.995 20 5 DHBDRO CCCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000598633014 1038789427 /nfs/dbraw/zinc/78/94/27/1038789427.db2.gz IBJRAAUBIBWYSD-UHFFFAOYSA-N 1 0 320.414 3.907 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000598677644 1038816488 /nfs/dbraw/zinc/81/64/88/1038816488.db2.gz QSRSWFCOUFBKNE-CFVMTHIKSA-N 1 0 324.371 3.941 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000598677645 1038818948 /nfs/dbraw/zinc/81/89/48/1038818948.db2.gz QSRSWFCOUFBKNE-NWANDNLSSA-N 1 0 324.371 3.941 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC1(F)F)CCCC2 ZINC000598679000 1038821193 /nfs/dbraw/zinc/82/11/93/1038821193.db2.gz CKBCMRJBZQACRU-DOMZBBRYSA-N 1 0 310.344 3.997 20 5 DHBDRO Cc1ncccc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000599072779 1039029856 /nfs/dbraw/zinc/02/98/56/1039029856.db2.gz HVUWGAOFSNDINW-GOSISDBHSA-N 1 0 311.385 3.856 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CO[C@@H](C3CC3)C1)CCCC2 ZINC000599085303 1039038564 /nfs/dbraw/zinc/03/85/64/1039038564.db2.gz PDJCRIXRKXVTDL-BMGDILEWSA-N 1 0 316.401 3.519 20 5 DHBDRO Cc1cccnc1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573742684 1039067253 /nfs/dbraw/zinc/06/72/53/1039067253.db2.gz WTNBFPQYDUQWTL-KRWDZBQOSA-N 1 0 311.385 3.508 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000593714815 1039092994 /nfs/dbraw/zinc/09/29/94/1039092994.db2.gz BQHWDUZXYHYURT-UGSOOPFHSA-N 1 0 318.417 3.759 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593715686 1039101763 /nfs/dbraw/zinc/10/17/63/1039101763.db2.gz AYFUOIVPKKFOKH-CXAGYDPISA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCC[C@H]3CCOC3)C2)cc1 ZINC000592126847 1039122968 /nfs/dbraw/zinc/12/29/68/1039122968.db2.gz RIOCGXHEODBTLX-DOTOQJQBSA-N 1 0 318.417 3.591 20 5 DHBDRO CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000170958410 1039129737 /nfs/dbraw/zinc/12/97/37/1039129737.db2.gz XGEUFQNBLRRLPT-HNNXBMFYSA-N 1 0 310.369 3.515 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccccc3F)CCC2)cc1 ZINC000592144196 1039137394 /nfs/dbraw/zinc/13/73/94/1039137394.db2.gz BYHBVVRQCTYHFC-UHFFFAOYSA-N 1 0 300.333 3.903 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592181771 1039162261 /nfs/dbraw/zinc/16/22/61/1039162261.db2.gz HUXBUABTYYJEOY-KGLIPLIRSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CC(F)F ZINC000592392182 1039175412 /nfs/dbraw/zinc/17/54/12/1039175412.db2.gz DXLIITGJFQMJIZ-RYUDHWBXSA-N 1 0 300.349 3.797 20 5 DHBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)F ZINC000592392227 1039175529 /nfs/dbraw/zinc/17/55/29/1039175529.db2.gz IYFGKZTZTICUKI-FZMZJTMJSA-N 1 0 312.360 3.797 20 5 DHBDRO CCc1ccc(C[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000603840012 1039193718 /nfs/dbraw/zinc/19/37/18/1039193718.db2.gz NPGKUYFFASTFMS-UHFFFAOYSA-N 1 0 314.385 3.798 20 5 DHBDRO Cc1c(C[NH2+][C@@H](c2ccccn2)C2CCC2)cccc1[N+](=O)[O-] ZINC000599570480 1039209391 /nfs/dbraw/zinc/20/93/91/1039209391.db2.gz YJYUHAXYLGEDSO-GOSISDBHSA-N 1 0 311.385 3.929 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000599573367 1039219514 /nfs/dbraw/zinc/21/95/14/1039219514.db2.gz FWSWYTLJTUVUEJ-GOSISDBHSA-N 1 0 311.385 3.663 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593053777 1039377753 /nfs/dbraw/zinc/37/77/53/1039377753.db2.gz MGVLPUWRFBJBQZ-HOCLYGCPSA-N 1 0 306.406 3.854 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnn2CC(C)C)cc1[N+](=O)[O-] ZINC000592365263 1039378371 /nfs/dbraw/zinc/37/83/71/1039378371.db2.gz MWINANIJGOABNF-AWEZNQCLSA-N 1 0 316.405 3.607 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000574128269 1039412415 /nfs/dbraw/zinc/41/24/15/1039412415.db2.gz PWORGKVDQPSZPP-MNOVXSKESA-N 1 0 309.797 3.594 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000592399032 1039432943 /nfs/dbraw/zinc/43/29/43/1039432943.db2.gz LXFNCWLSGCGBFZ-XRGAULLZSA-N 1 0 320.458 3.790 20 5 DHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccsc2[N+](=O)[O-])C1 ZINC000604433444 1039475350 /nfs/dbraw/zinc/47/53/50/1039475350.db2.gz BXQXWBKXFVHDDY-CHWSQXEVSA-N 1 0 311.451 3.826 20 5 DHBDRO CCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594502095 1039804649 /nfs/dbraw/zinc/80/46/49/1039804649.db2.gz DOBBRUOSKXVYNJ-KRWDZBQOSA-N 1 0 312.369 3.771 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000594510445 1039812051 /nfs/dbraw/zinc/81/20/51/1039812051.db2.gz AANMDFWUHZUABK-CHWSQXEVSA-N 1 0 322.405 3.532 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594512868 1039815400 /nfs/dbraw/zinc/81/54/00/1039815400.db2.gz SFJGSKHTLUCRMK-KSZLIROESA-N 1 0 318.417 3.983 20 5 DHBDRO C[NH+](C)[C@H]1C[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000594590839 1039865621 /nfs/dbraw/zinc/86/56/21/1039865621.db2.gz DMSQAEREQPEPJM-DTORHVGOSA-N 1 0 318.204 3.654 20 5 DHBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230698567 1039959307 /nfs/dbraw/zinc/95/93/07/1039959307.db2.gz DUJLLAJBSXTFMS-PWSUYJOCSA-N 1 0 300.811 3.622 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C)s1 ZINC000595011328 1039972847 /nfs/dbraw/zinc/97/28/47/1039972847.db2.gz MDKNCPUXLWXXAI-NSHDSACASA-N 1 0 306.387 3.824 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(C)s1 ZINC000595011325 1039973431 /nfs/dbraw/zinc/97/34/31/1039973431.db2.gz MDKNCPUXLWXXAI-LLVKDONJSA-N 1 0 306.387 3.824 20 5 DHBDRO CCO[C@H](CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595010966 1039974366 /nfs/dbraw/zinc/97/43/66/1039974366.db2.gz FCSWNHVLIOXPIR-CZUORRHYSA-N 1 0 324.421 3.705 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1sccc1C ZINC000595025381 1039990419 /nfs/dbraw/zinc/99/04/19/1039990419.db2.gz HAPWWVVBTHQSFV-GFCCVEGCSA-N 1 0 320.414 3.867 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1sccc1C ZINC000595025382 1039992464 /nfs/dbraw/zinc/99/24/64/1039992464.db2.gz HAPWWVVBTHQSFV-LBPRGKRZSA-N 1 0 320.414 3.867 20 5 DHBDRO Cc1ccc(C[NH2+]C2CCC3(CC3(F)F)CC2)cc1[N+](=O)[O-] ZINC000594985462 1039998808 /nfs/dbraw/zinc/99/88/08/1039998808.db2.gz VWLYKLCAADXVOS-UHFFFAOYSA-N 1 0 310.344 3.961 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595056870 1040022889 /nfs/dbraw/zinc/02/28/89/1040022889.db2.gz RYQZHCXMVXOPJX-CJNGLKHVSA-N 1 0 306.406 3.759 20 5 DHBDRO CCC[C@H]([NH2+]CCc1cnccc1C)c1cccc([N+](=O)[O-])c1 ZINC000595072126 1040033496 /nfs/dbraw/zinc/03/34/96/1040033496.db2.gz FZUBGGMUMQIAHN-SFHVURJKSA-N 1 0 313.401 3.972 20 5 DHBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595031434 1040039252 /nfs/dbraw/zinc/03/92/52/1040039252.db2.gz GPVYHGUMRSWHSU-ZJUUUORDSA-N 1 0 320.311 3.985 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000595032664 1040039683 /nfs/dbraw/zinc/03/96/83/1040039683.db2.gz KMPMJXIZRKBTOV-IUCAKERBSA-N 1 0 306.284 3.595 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000595032584 1040039958 /nfs/dbraw/zinc/03/99/58/1040039958.db2.gz NLYHTVKKTNTOOM-YPMHNXCESA-N 1 0 310.419 3.540 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000595049697 1040050586 /nfs/dbraw/zinc/05/05/86/1040050586.db2.gz NKBSWKLLKQAMDC-CABCVRRESA-N 1 0 313.401 3.704 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(SCC)CC2)cc1[N+](=O)[O-] ZINC000595100229 1040065716 /nfs/dbraw/zinc/06/57/16/1040065716.db2.gz PYXVYONBTGXKMX-GFCCVEGCSA-N 1 0 324.446 3.930 20 5 DHBDRO C[C@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595079013 1040073098 /nfs/dbraw/zinc/07/30/98/1040073098.db2.gz BZDKFUMWJVUDIR-HOCLYGCPSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@]1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000595081928 1040074711 /nfs/dbraw/zinc/07/47/11/1040074711.db2.gz UXUBSMLEVLTOEZ-DUVNUKRYSA-N 1 0 324.371 3.941 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@H]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000595297400 1040094531 /nfs/dbraw/zinc/09/45/31/1040094531.db2.gz SQLBUFZIDSSHLO-AWEZNQCLSA-N 1 0 307.394 3.826 20 5 DHBDRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595414787 1040133236 /nfs/dbraw/zinc/13/32/36/1040133236.db2.gz MYUUDUSLEWTGPV-LBPRGKRZSA-N 1 0 318.348 3.983 20 5 DHBDRO COC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000575116193 1040172515 /nfs/dbraw/zinc/17/25/15/1040172515.db2.gz XSAATRKIFJSNRV-HOTGVXAUSA-N 1 0 306.406 3.578 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755967 1040243672 /nfs/dbraw/zinc/24/36/72/1040243672.db2.gz RZCMHGLVTAPENO-ZDUSSCGKSA-N 1 0 310.369 3.565 20 5 DHBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CC1(C)C ZINC000595908739 1040274640 /nfs/dbraw/zinc/27/46/40/1040274640.db2.gz KDSLTQOEYRPTIF-CYBMUJFWSA-N 1 0 315.373 3.728 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000596068722 1040299339 /nfs/dbraw/zinc/29/93/39/1040299339.db2.gz ZDQXOUOEIPTRHM-UHFFFAOYSA-N 1 0 308.275 3.802 20 5 DHBDRO Cc1cc(NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596155210 1040317118 /nfs/dbraw/zinc/31/71/18/1040317118.db2.gz QAMTZCXXUAVSCP-UHFFFAOYSA-N 1 0 309.435 3.784 20 5 DHBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596308263 1040378174 /nfs/dbraw/zinc/37/81/74/1040378174.db2.gz JBNWIACRTBAJEF-LLVKDONJSA-N 1 0 313.348 3.817 20 5 DHBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccncc1 ZINC000596592982 1040506323 /nfs/dbraw/zinc/50/63/23/1040506323.db2.gz OFBIGJQOYMEHSX-QGZVFWFLSA-N 1 0 311.385 3.615 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1=CCSC1 ZINC000597246516 1040709653 /nfs/dbraw/zinc/70/96/53/1040709653.db2.gz VSNMXUZLRFOVJL-JYRVWZFOSA-N 1 0 304.415 3.603 20 5 DHBDRO CC[C@]1(C)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534107172 1040719577 /nfs/dbraw/zinc/71/95/77/1040719577.db2.gz MIZHCNYHHYSUGH-QGZVFWFLSA-N 1 0 315.373 3.872 20 5 DHBDRO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000534347033 1040813724 /nfs/dbraw/zinc/81/37/24/1040813724.db2.gz XPKASFHYGNTCIQ-VQHVLOKHSA-N 1 0 311.385 3.914 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cs1 ZINC000075831509 1040827101 /nfs/dbraw/zinc/82/71/01/1040827101.db2.gz RQIOJKPXYJMVFL-CQSZACIVSA-N 1 0 310.419 3.580 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594517913 1040883199 /nfs/dbraw/zinc/88/31/99/1040883199.db2.gz DADNVDKZQRKPBK-UAGQMJEPSA-N 1 0 317.433 3.571 20 5 DHBDRO C[C@@H]([NH2+]CCCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000282092817 1040899081 /nfs/dbraw/zinc/89/90/81/1040899081.db2.gz VIYYDXNJBFRAHL-CQSZACIVSA-N 1 0 306.406 3.842 20 5 DHBDRO CC(C)CSCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602577420 1041110868 /nfs/dbraw/zinc/11/08/68/1041110868.db2.gz OAYCJDAMEBKRNX-UHFFFAOYSA-N 1 0 323.418 3.605 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000602713453 1041172862 /nfs/dbraw/zinc/17/28/62/1041172862.db2.gz BHTBRJYNZLTJIL-SNVBAGLBSA-N 1 0 324.249 3.749 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC[C@H]1CC1(F)F ZINC000602713452 1041173387 /nfs/dbraw/zinc/17/33/87/1041173387.db2.gz BHTBRJYNZLTJIL-JTQLQIEISA-N 1 0 324.249 3.749 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000602718614 1041175795 /nfs/dbraw/zinc/17/57/95/1041175795.db2.gz IHKLNKHUCSTHSL-PJXYFTJBSA-N 1 0 300.280 3.502 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000602718617 1041176192 /nfs/dbraw/zinc/17/61/92/1041176192.db2.gz IHKLNKHUCSTHSL-PTEHBNRSSA-N 1 0 300.280 3.502 20 5 DHBDRO Cn1cc(C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602798883 1041222408 /nfs/dbraw/zinc/22/24/08/1041222408.db2.gz GWSOYVJDGOODHW-HNNXBMFYSA-N 1 0 316.405 3.595 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090728401 185311742 /nfs/dbraw/zinc/31/17/42/185311742.db2.gz KJGHTGSQDPRQCX-JQWIXIFHSA-N 1 0 317.389 3.962 20 5 DHBDRO Cc1nc(C)c([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000040518620 183090065 /nfs/dbraw/zinc/09/00/65/183090065.db2.gz YQOBOCLWZUJHJJ-SNVBAGLBSA-N 1 0 305.403 3.561 20 5 DHBDRO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042977584 183325273 /nfs/dbraw/zinc/32/52/73/183325273.db2.gz YGIPMMTYEZUEFE-UHFFFAOYSA-N 1 0 322.311 3.828 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000271556259 129935339 /nfs/dbraw/zinc/93/53/39/129935339.db2.gz VVKXBWBYQFGQEZ-KBPBESRZSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000271984661 129987595 /nfs/dbraw/zinc/98/75/95/129987595.db2.gz KLCINUZVOMHCEW-HOTGVXAUSA-N 1 0 306.406 3.587 20 5 DHBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000273123069 130090843 /nfs/dbraw/zinc/09/08/43/130090843.db2.gz ZZMXQHJRDSBMOV-VXGBXAGGSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000273448879 130123637 /nfs/dbraw/zinc/12/36/37/130123637.db2.gz YIXOGIGRBZAVAS-WBVHZDCISA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1cncc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000274338661 130227434 /nfs/dbraw/zinc/22/74/34/130227434.db2.gz AIPAGXIGGLMAPL-LLVKDONJSA-N 1 0 305.765 3.802 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000277223142 130591314 /nfs/dbraw/zinc/59/13/14/130591314.db2.gz XWAAJISSLGNKCG-RISCZKNCSA-N 1 0 310.344 3.693 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC2(CCOCC2)CC1 ZINC000285099470 131137433 /nfs/dbraw/zinc/13/74/33/131137433.db2.gz NBKZAUVBPCTOJY-HWKANZROSA-N 1 0 316.401 3.501 20 5 DHBDRO O=[N+]([O-])c1ccc(CN2CCC=C(c3ccco3)C2)cc1F ZINC000285421776 131166337 /nfs/dbraw/zinc/16/63/37/131166337.db2.gz VSPFFVSKEKTLSX-UHFFFAOYSA-N 1 0 302.305 3.616 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286947220 131257148 /nfs/dbraw/zinc/25/71/48/131257148.db2.gz BJWNMBUTCCILEL-KMFMINBZSA-N 1 0 306.406 3.698 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COc3ccccc32)c(Cl)c1 ZINC000288564371 131330840 /nfs/dbraw/zinc/33/08/40/131330840.db2.gz MOEBWYFYTYLHSR-GFCCVEGCSA-N 1 0 318.760 3.514 20 5 DHBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000340494925 131887825 /nfs/dbraw/zinc/88/78/25/131887825.db2.gz CCEZXVJJNVLCFC-SECBINFHSA-N 1 0 320.311 3.517 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163894953 132126391 /nfs/dbraw/zinc/12/63/91/132126391.db2.gz OXIRFKVUYYGCJG-WBMJQRKESA-N 1 0 302.378 3.520 20 5 DHBDRO Cc1ccc([C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000120547698 132143998 /nfs/dbraw/zinc/14/39/98/132143998.db2.gz STVCJFNQCNAOFS-CYBMUJFWSA-N 1 0 319.449 3.863 20 5 DHBDRO Cc1cc(F)ccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000317166001 331466422 /nfs/dbraw/zinc/46/64/22/331466422.db2.gz VTUYYRYKCGMSLI-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO CC1(C)CC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000565560049 331724574 /nfs/dbraw/zinc/72/45/74/331724574.db2.gz CBOTZMBICIWVDQ-CQSZACIVSA-N 1 0 317.414 3.997 20 5 DHBDRO CCOc1cc(NCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000558970612 331962554 /nfs/dbraw/zinc/96/25/54/331962554.db2.gz FVEQHBYNSSCGDS-UHFFFAOYSA-N 1 0 321.421 3.672 20 5 DHBDRO CC(C)(C)CC(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409852392 332060647 /nfs/dbraw/zinc/06/06/47/332060647.db2.gz FVNXHYJPPQSEHT-UHFFFAOYSA-N 1 0 321.421 3.728 20 5 DHBDRO Cc1cccc(OCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000537971960 332252963 /nfs/dbraw/zinc/25/29/63/332252963.db2.gz OKIFBGVBGNNFPB-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000559431927 332258521 /nfs/dbraw/zinc/25/85/21/332258521.db2.gz MHKLYXURHBLFSG-KGLIPLIRSA-N 1 0 304.390 3.614 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000555878325 332265926 /nfs/dbraw/zinc/26/59/26/332265926.db2.gz JBVCTGHHMZUYEC-AWEZNQCLSA-N 1 0 309.369 3.840 20 5 DHBDRO CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000564405345 332276261 /nfs/dbraw/zinc/27/62/61/332276261.db2.gz PTLSXYAFGJBWFX-CQSZACIVSA-N 1 0 316.361 3.500 20 5 DHBDRO COCC1(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000564961400 332302769 /nfs/dbraw/zinc/30/27/69/332302769.db2.gz RDSPKLKBOZTPPO-UHFFFAOYSA-N 1 0 306.406 3.625 20 5 DHBDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151798370 332619032 /nfs/dbraw/zinc/61/90/32/332619032.db2.gz UVYRLWXYRZQQBE-NEPJUHHUSA-N 1 0 320.414 3.745 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1CCC(F)(F)CC1 ZINC000565214351 332644025 /nfs/dbraw/zinc/64/40/25/332644025.db2.gz FPRYFCFOCAILDW-CQSZACIVSA-N 1 0 310.344 3.997 20 5 DHBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000584330211 333034211 /nfs/dbraw/zinc/03/42/11/333034211.db2.gz ZDQYTAUIYMTQTC-DZGCQCFKSA-N 1 0 318.398 3.590 20 5 DHBDRO CCC(CC)[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000314114302 333087416 /nfs/dbraw/zinc/08/74/16/333087416.db2.gz NYOZKBZHQZXBNZ-SUMWQHHRSA-N 1 0 307.438 3.612 20 5 DHBDRO CCC(CC)[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000314114300 333087579 /nfs/dbraw/zinc/08/75/79/333087579.db2.gz NYOZKBZHQZXBNZ-GUYCJALGSA-N 1 0 307.438 3.612 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(F)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000179596767 333153258 /nfs/dbraw/zinc/15/32/58/333153258.db2.gz BARRWXSEEXUDQR-KRWDZBQOSA-N 1 0 318.348 3.983 20 5 DHBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183033193 333182476 /nfs/dbraw/zinc/18/24/76/333182476.db2.gz DCJBHYVBRUTNEP-CHWSQXEVSA-N 1 0 317.389 3.817 20 5 DHBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000318885362 333220096 /nfs/dbraw/zinc/22/00/96/333220096.db2.gz NMDMEYQUSLKQMG-SNVBAGLBSA-N 1 0 319.327 3.756 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000323534479 333366106 /nfs/dbraw/zinc/36/61/06/333366106.db2.gz YAJXIVHNUPKQMG-CYBMUJFWSA-N 1 0 314.385 3.633 20 5 DHBDRO COc1ccc(C)cc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000531688855 333545039 /nfs/dbraw/zinc/54/50/39/333545039.db2.gz AUVNSOFNTJCWLU-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)OCC2CC2)cccc1[N+](=O)[O-] ZINC000414253798 333926299 /nfs/dbraw/zinc/92/62/99/333926299.db2.gz DKYXNBONJTZEAS-ZDUSSCGKSA-N 1 0 306.406 3.759 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000414234312 333927712 /nfs/dbraw/zinc/92/77/12/333927712.db2.gz IYFKXLDAYTZKBL-DCGLDWPTSA-N 1 0 306.406 3.757 20 5 DHBDRO CCOC1CC(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000276619778 334083856 /nfs/dbraw/zinc/08/38/56/334083856.db2.gz DWTMIHQAQMEZML-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000290222972 334171819 /nfs/dbraw/zinc/17/18/19/334171819.db2.gz IDODAXBMBMFBIS-IYOUNJFTSA-N 1 0 314.385 3.676 20 5 DHBDRO CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000343604069 335176385 /nfs/dbraw/zinc/17/63/85/335176385.db2.gz IDFYHPGKIVEHHK-ZDUSSCGKSA-N 1 0 318.377 3.559 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000340504353 334223941 /nfs/dbraw/zinc/22/39/41/334223941.db2.gz GBPREAIGFJIAII-QGZVFWFLSA-N 1 0 312.369 3.510 20 5 DHBDRO Cc1ccc2cc(C[NH2+]Cc3ccccc3[N+](=O)[O-])ccc2n1 ZINC000187641896 334266512 /nfs/dbraw/zinc/26/65/12/334266512.db2.gz IGTLSMBGQHGUKB-UHFFFAOYSA-N 1 0 307.353 3.741 20 5 DHBDRO COc1cccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000531936910 334297940 /nfs/dbraw/zinc/29/79/40/334297940.db2.gz RFUBLDJJEVKIFN-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534841855 334339489 /nfs/dbraw/zinc/33/94/89/334339489.db2.gz GAINNTTUHMWVAK-WFASDCNBSA-N 1 0 315.373 3.870 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000341883042 334489359 /nfs/dbraw/zinc/48/93/59/334489359.db2.gz UEUSKWJDUKNGRF-IAQYHMDHSA-N 1 0 316.405 3.747 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000341883043 334489466 /nfs/dbraw/zinc/48/94/66/334489466.db2.gz UEUSKWJDUKNGRF-NHYWBVRUSA-N 1 0 316.405 3.747 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccncc1)CCCC2 ZINC000417309630 334704656 /nfs/dbraw/zinc/70/46/56/334704656.db2.gz JASYDVORQBDYHT-GOSISDBHSA-N 1 0 311.385 3.590 20 5 DHBDRO CC[C@@H](O)CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311393 334705019 /nfs/dbraw/zinc/70/50/19/334705019.db2.gz OTEZXIUANSYGRG-WBVHZDCISA-N 1 0 306.406 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3OCCC[C@@H]13)CCCC2 ZINC000417316017 334705540 /nfs/dbraw/zinc/70/55/40/334705540.db2.gz AHHCXGKUCMNSLF-DZOHQFGASA-N 1 0 316.401 3.519 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1nccs1)CCCC2 ZINC000417348878 334706319 /nfs/dbraw/zinc/70/63/19/334706319.db2.gz ZJYVEUNZQZVCAD-HNNXBMFYSA-N 1 0 317.414 3.651 20 5 DHBDRO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417319232 334707961 /nfs/dbraw/zinc/70/79/61/334707961.db2.gz BKNOSPPCYXVRMB-LXZKKBNFSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H]([NH2+][C@@H](CO)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417374318 334765334 /nfs/dbraw/zinc/76/53/34/334765334.db2.gz XZFGPYRRTAZRPP-CZUORRHYSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417377067 334765512 /nfs/dbraw/zinc/76/55/12/334765512.db2.gz RPPJLKLEHUESKY-PVUWLOKVSA-N 1 0 304.390 3.519 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CC2CC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000425961475 334865460 /nfs/dbraw/zinc/86/54/60/334865460.db2.gz SYNIMWWAZFCGQT-CQSZACIVSA-N 1 0 310.344 3.952 20 5 DHBDRO CC1(C)C[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000343633368 335183473 /nfs/dbraw/zinc/18/34/73/335183473.db2.gz DYGIMVJWAMMCHE-ZDUSSCGKSA-N 1 0 303.387 3.606 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1OC ZINC000344099922 335212753 /nfs/dbraw/zinc/21/27/53/335212753.db2.gz ZGYDYGBAFPNJDJ-MRXNPFEDSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000344704566 335273878 /nfs/dbraw/zinc/27/38/78/335273878.db2.gz VIVMDGASRCKDOI-XMZIXOGTSA-N 1 0 318.398 3.699 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000158085595 338476362 /nfs/dbraw/zinc/47/63/62/338476362.db2.gz VCOLJCDWVWFFFJ-CVEARBPZSA-N 1 0 308.422 3.823 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000345715948 335345454 /nfs/dbraw/zinc/34/54/54/335345454.db2.gz WOVLKQZUDOCVTH-KRWDZBQOSA-N 1 0 320.433 3.605 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000479550340 335528276 /nfs/dbraw/zinc/52/82/76/335528276.db2.gz BYNUAKMSJMOXPJ-ZIAGYGMSSA-N 1 0 308.422 3.741 20 5 DHBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000444875746 338491239 /nfs/dbraw/zinc/49/12/39/338491239.db2.gz QOZFAKNYJWSHRR-UHFFFAOYSA-N 1 0 309.797 3.535 20 5 DHBDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000583522889 335673328 /nfs/dbraw/zinc/67/33/28/335673328.db2.gz BRSJNMYYFLDHRE-ZDUSSCGKSA-N 1 0 324.421 3.707 20 5 DHBDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000350258935 335740455 /nfs/dbraw/zinc/74/04/55/335740455.db2.gz XLPFRBGVOHDWBU-LLVKDONJSA-N 1 0 306.337 3.746 20 5 DHBDRO CCn1nc(C)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000532220523 335917033 /nfs/dbraw/zinc/91/70/33/335917033.db2.gz XPBFKTPHSVAUAN-GFCCVEGCSA-N 1 0 316.405 3.587 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000520303618 335960545 /nfs/dbraw/zinc/96/05/45/335960545.db2.gz JZFPPBBNRWVTKZ-KSSFIOAISA-N 1 0 320.433 3.885 20 5 DHBDRO COCC[C@H]1CCCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000332233068 336164171 /nfs/dbraw/zinc/16/41/71/336164171.db2.gz FNTUOAGIQOZEJB-OAHLLOKOSA-N 1 0 306.406 3.542 20 5 DHBDRO COCC[C@@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000332240628 336164482 /nfs/dbraw/zinc/16/44/82/336164482.db2.gz AAZHNTKPERPDQL-HNNXBMFYSA-N 1 0 306.406 3.542 20 5 DHBDRO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000332341291 336169257 /nfs/dbraw/zinc/16/92/57/336169257.db2.gz QWOFVUCYDRVDDJ-GJZGRUSLSA-N 1 0 306.406 3.794 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000194375042 338516543 /nfs/dbraw/zinc/51/65/43/338516543.db2.gz BVRJPWJJJPYFMF-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO CCc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000352737673 336233035 /nfs/dbraw/zinc/23/30/35/336233035.db2.gz KZTZUYGUNGFRNM-UHFFFAOYSA-N 1 0 319.792 3.538 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000532522600 336252484 /nfs/dbraw/zinc/25/24/84/336252484.db2.gz KTTWYGOMISWTJH-RRQGHBQHSA-N 1 0 318.417 3.902 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccccc1O)CCC2 ZINC000192801530 336264579 /nfs/dbraw/zinc/26/45/79/336264579.db2.gz LAIPTEYBOZFTKX-KRWDZBQOSA-N 1 0 312.369 3.510 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1ccc(F)c(F)c1 ZINC000527037343 336280347 /nfs/dbraw/zinc/28/03/47/336280347.db2.gz QWCIJTMFCNHCMX-UHFFFAOYSA-N 1 0 306.312 3.514 20 5 DHBDRO CC(C)C[C@@H](CCO)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192919717 336284324 /nfs/dbraw/zinc/28/43/24/336284324.db2.gz GLYGHVAGLOIHAD-KDOFPFPSSA-N 1 0 320.433 3.607 20 5 DHBDRO CCOCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102418898 336287102 /nfs/dbraw/zinc/28/71/02/336287102.db2.gz JCTKPXVACNIMSZ-UHFFFAOYSA-N 1 0 320.414 3.840 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000301062221 336287923 /nfs/dbraw/zinc/28/79/23/336287923.db2.gz UFYBXLOLVQPWMJ-SFHVURJKSA-N 1 0 311.385 3.844 20 5 DHBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c(Cl)c1 ZINC000301183405 336293712 /nfs/dbraw/zinc/29/37/12/336293712.db2.gz IWMKDWVZVCPMOS-NSHDSACASA-N 1 0 309.797 3.677 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000301446487 336307311 /nfs/dbraw/zinc/30/73/11/336307311.db2.gz QAEJNJZDYLVYGF-INIZCTEOSA-N 1 0 315.373 3.745 20 5 DHBDRO CCOc1cc(NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301535605 336313122 /nfs/dbraw/zinc/31/31/22/336313122.db2.gz QORYQDRWUGRXII-UHFFFAOYSA-N 1 0 321.421 3.668 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000301591848 336316958 /nfs/dbraw/zinc/31/69/58/336316958.db2.gz ZHTXFVKQAFXHJZ-INIZCTEOSA-N 1 0 315.373 3.745 20 5 DHBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302031748 336344347 /nfs/dbraw/zinc/34/43/47/336344347.db2.gz CHYFRVVLBXZGMS-UONOGXRCSA-N 1 0 303.406 3.660 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353105656 336402602 /nfs/dbraw/zinc/40/26/02/336402602.db2.gz BMPYQRDENHLBCY-LBPRGKRZSA-N 1 0 310.357 3.630 20 5 DHBDRO CC[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353947198 336450651 /nfs/dbraw/zinc/45/06/51/336450651.db2.gz LFAANEYTKNTPJB-LBPRGKRZSA-N 1 0 302.296 3.978 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000360663212 336718110 /nfs/dbraw/zinc/71/81/10/336718110.db2.gz JGUTYRXCJBJUNG-SFHVURJKSA-N 1 0 311.385 3.663 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3ccc(O)cc32)c1 ZINC000360998603 336731698 /nfs/dbraw/zinc/73/16/98/336731698.db2.gz PQRMCKBPKPIQSM-SFHVURJKSA-N 1 0 312.369 3.510 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000375343922 337008466 /nfs/dbraw/zinc/00/84/66/337008466.db2.gz AMNUFGBGFSHXBZ-BDJLRTHQSA-N 1 0 316.332 3.908 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000377239253 337049165 /nfs/dbraw/zinc/04/91/65/337049165.db2.gz MGISCYHPZNYCJZ-HOTGVXAUSA-N 1 0 318.417 3.577 20 5 DHBDRO C[C@H]([NH2+]C1CCC2(CCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000582467127 337093627 /nfs/dbraw/zinc/09/36/27/337093627.db2.gz LOBQSNAEQYAHDR-KTAKPFMOSA-N 1 0 304.390 3.737 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CC(C(F)(F)F)C1 ZINC000582628409 337116146 /nfs/dbraw/zinc/11/61/46/337116146.db2.gz VPKYYGLWFKKZAY-HYXAFXHYSA-N 1 0 300.280 3.539 20 5 DHBDRO CCc1cnc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000178660127 337165793 /nfs/dbraw/zinc/16/57/93/337165793.db2.gz PFXJHGUSPMVJCC-LLVKDONJSA-N 1 0 305.403 3.507 20 5 DHBDRO COCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000185225385 337203390 /nfs/dbraw/zinc/20/33/90/337203390.db2.gz ZJRMMIMYKNDZSN-UHFFFAOYSA-N 1 0 312.435 3.733 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000321303887 337255813 /nfs/dbraw/zinc/25/58/13/337255813.db2.gz NCPGXAHHPSYLRK-CJNGLKHVSA-N 1 0 312.369 3.558 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000188951053 337276922 /nfs/dbraw/zinc/27/69/22/337276922.db2.gz VUFXCLDSYYPNOB-INIZCTEOSA-N 1 0 312.369 3.825 20 5 DHBDRO CCC[C@H]([NH2+]CC1(N(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000321703270 337284572 /nfs/dbraw/zinc/28/45/72/337284572.db2.gz NZHPHQAXLWOJQN-KRWDZBQOSA-N 1 0 319.449 3.900 20 5 DHBDRO CCOCC(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000584553199 337360524 /nfs/dbraw/zinc/36/05/24/337360524.db2.gz KOEBYKIBLJTTKS-INIZCTEOSA-N 1 0 320.433 3.568 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](c1cccnc1)C1CC1 ZINC000514679919 337389434 /nfs/dbraw/zinc/38/94/34/337389434.db2.gz RCYRJBPBKRQNRD-WMZOPIPTSA-N 1 0 309.369 3.718 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000580412316 337398755 /nfs/dbraw/zinc/39/87/55/337398755.db2.gz RMQYDCQJWGCGFH-RHSMWYFYSA-N 1 0 318.417 3.910 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000248706178 337566825 /nfs/dbraw/zinc/56/68/25/337566825.db2.gz HQUNHWIFQGLCRD-GUDXXQAFSA-N 1 0 316.401 3.511 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248789235 337567438 /nfs/dbraw/zinc/56/74/38/337567438.db2.gz IPWNBACPKRIAMS-RYQLBKOJSA-N 1 0 318.417 3.983 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000421864423 337656414 /nfs/dbraw/zinc/65/64/14/337656414.db2.gz XSYPXMFPNFCXDS-NWANDNLSSA-N 1 0 322.405 3.602 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cncn2C(C)C)cc1[N+](=O)[O-] ZINC000424149608 337775090 /nfs/dbraw/zinc/77/50/90/337775090.db2.gz WUWILZPCCXQTQB-ZDUSSCGKSA-N 1 0 302.378 3.531 20 5 DHBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000424303589 337818319 /nfs/dbraw/zinc/81/83/19/337818319.db2.gz OINMRNFBPTZPNW-ZUOZUFPHSA-N 1 0 318.417 3.757 20 5 DHBDRO Cc1cnc([C@H](C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000515072396 337978169 /nfs/dbraw/zinc/97/81/69/337978169.db2.gz JKFROHQMMMQAKG-YGRLFVJLSA-N 1 0 317.414 3.740 20 5 DHBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000515437201 337989070 /nfs/dbraw/zinc/98/90/70/337989070.db2.gz RKFDYUVLKPOFCJ-RNCFNFMXSA-N 1 0 302.296 3.892 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000084138621 338000225 /nfs/dbraw/zinc/00/02/25/338000225.db2.gz ZXCXJWLMTIDSFD-UHFFFAOYSA-N 1 0 316.323 3.802 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)co2)cc1 ZINC000426473121 338033143 /nfs/dbraw/zinc/03/31/43/338033143.db2.gz QNAQDRQHPIIIJQ-BLLLJJGKSA-N 1 0 313.357 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC23CCCC3)c1 ZINC000428553636 338056160 /nfs/dbraw/zinc/05/61/60/338056160.db2.gz YDLWAZNTDDSROR-CYBMUJFWSA-N 1 0 312.316 3.619 20 5 DHBDRO CO[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429271093 338075402 /nfs/dbraw/zinc/07/54/02/338075402.db2.gz GJOWRRXZYKNFJH-KRWDZBQOSA-N 1 0 314.385 3.807 20 5 DHBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000429583807 338085238 /nfs/dbraw/zinc/08/52/38/338085238.db2.gz BWBKOAWUTVGRNN-BLLLJJGKSA-N 1 0 315.373 3.870 20 5 DHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000429678620 338087044 /nfs/dbraw/zinc/08/70/44/338087044.db2.gz GBBJSISCRJUZEY-HOCLYGCPSA-N 1 0 324.446 3.757 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000430093860 338096087 /nfs/dbraw/zinc/09/60/87/338096087.db2.gz HKXKUCQKYQXLEY-VGQMVEDTSA-N 1 0 322.355 3.975 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000430196146 338100821 /nfs/dbraw/zinc/10/08/21/338100821.db2.gz QEBUQCWTOXOPHN-GFCCVEGCSA-N 1 0 320.311 3.670 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1cccs1 ZINC000430213228 338101671 /nfs/dbraw/zinc/10/16/71/338101671.db2.gz SHNKSIYGAISERO-ZDUSSCGKSA-N 1 0 306.387 3.906 20 5 DHBDRO CC[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430224011 338101999 /nfs/dbraw/zinc/10/19/99/338101999.db2.gz XOJKVTHQZRXLEC-UHFFFAOYSA-N 1 0 320.414 3.730 20 5 DHBDRO CC(C)(C)OC1CC(CC[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000432248362 338150566 /nfs/dbraw/zinc/15/05/66/338150566.db2.gz YXGWYLUGJHCGMN-UHFFFAOYSA-N 1 0 312.435 3.730 20 5 DHBDRO CC1(C)CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433073416 338180291 /nfs/dbraw/zinc/18/02/91/338180291.db2.gz GEMOYLKVBPEDOD-BBRMVZONSA-N 1 0 318.417 3.864 20 5 DHBDRO Cc1ncsc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163368 338183474 /nfs/dbraw/zinc/18/34/74/338183474.db2.gz BDFFBNUAJIHAFM-CQSZACIVSA-N 1 0 317.414 3.872 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CC2(O)CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433178568 338184277 /nfs/dbraw/zinc/18/42/77/338184277.db2.gz WQWPMFBWUYODGP-INIZCTEOSA-N 1 0 318.417 3.602 20 5 DHBDRO CC(C)(C)[C@H](CCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433222805 338186521 /nfs/dbraw/zinc/18/65/21/338186521.db2.gz XJVFBNSKNRWSPR-HOTGVXAUSA-N 1 0 320.433 3.704 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CC[C@@H]2CCCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433227704 338186606 /nfs/dbraw/zinc/18/66/06/338186606.db2.gz SNJOCBHPEABKIV-YOEHRIQHSA-N 1 0 318.417 3.866 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000435731028 338246670 /nfs/dbraw/zinc/24/66/70/338246670.db2.gz HOJAHPRHUDCQRP-KOMQPUFPSA-N 1 0 300.333 3.770 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCN(C)c1ccccc1 ZINC000436394480 338270634 /nfs/dbraw/zinc/27/06/34/338270634.db2.gz WMLTUQJUCCCVJT-HNNXBMFYSA-N 1 0 313.401 3.724 20 5 DHBDRO CC1(C)CCC[C@](O)(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000438371340 338341797 /nfs/dbraw/zinc/34/17/97/338341797.db2.gz AQEWXXYDPPZICM-GNJLHFKMSA-N 1 0 318.417 3.529 20 5 DHBDRO CC1(C)CCC[C@](O)(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000438371341 338341873 /nfs/dbraw/zinc/34/18/73/338341873.db2.gz AQEWXXYDPPZICM-KRZKXXONSA-N 1 0 318.417 3.529 20 5 DHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC2CCCCC2)n1 ZINC000447528910 338554197 /nfs/dbraw/zinc/55/41/97/338554197.db2.gz JWYFHAZJKVNPFP-CVEARBPZSA-N 1 0 320.437 3.835 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1Cc3ccccc3O1)CCC2 ZINC000447528638 338554339 /nfs/dbraw/zinc/55/43/39/338554339.db2.gz JHZSGFQCFCZOOG-SJLPKXTDSA-N 1 0 324.380 3.566 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000194568836 338567355 /nfs/dbraw/zinc/56/73/55/338567355.db2.gz NEXVMPUBTITRMJ-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCNc1ccccc1 ZINC000449057971 338589138 /nfs/dbraw/zinc/58/91/38/338589138.db2.gz FVLBBIFVXFTNOJ-HNNXBMFYSA-N 1 0 313.401 3.618 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449087695 338592227 /nfs/dbraw/zinc/59/22/27/338592227.db2.gz GMLRCFSTSZHHLI-UHFFFAOYSA-N 1 0 318.417 3.955 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c1cccc2O ZINC000449134493 338596225 /nfs/dbraw/zinc/59/62/25/338596225.db2.gz JTESZTLCTLIZCC-LRDDRELGSA-N 1 0 312.369 3.509 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c1cccc2O ZINC000449134495 338596286 /nfs/dbraw/zinc/59/62/86/338596286.db2.gz JTESZTLCTLIZCC-WBMJQRKESA-N 1 0 312.369 3.509 20 5 DHBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449141224 338596584 /nfs/dbraw/zinc/59/65/84/338596584.db2.gz KVGXZFUVAKQUIQ-NWANDNLSSA-N 1 0 308.447 3.790 20 5 DHBDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449173946 338599236 /nfs/dbraw/zinc/59/92/36/338599236.db2.gz OORYPWMCKJDRIB-UWWQBHOKSA-N 1 0 320.433 3.567 20 5 DHBDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449205734 338602293 /nfs/dbraw/zinc/60/22/93/338602293.db2.gz OXKNQIAQMNONFD-UONOGXRCSA-N 1 0 313.401 3.834 20 5 DHBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449252710 338607076 /nfs/dbraw/zinc/60/70/76/338607076.db2.gz ROGFLUGMFOWDPD-HYVNUMGLSA-N 1 0 320.433 3.709 20 5 DHBDRO C[C@H]([NH2+]Cc1ccnn1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000449347805 338615978 /nfs/dbraw/zinc/61/59/78/338615978.db2.gz JDRKIYBCKWMOSQ-ZDUSSCGKSA-N 1 0 314.389 3.757 20 5 DHBDRO CC1(F)CC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000449375651 338619181 /nfs/dbraw/zinc/61/91/81/338619181.db2.gz IHPCOLPCGKPAJO-RDAFDQFTSA-N 1 0 306.381 3.786 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453307920 338821969 /nfs/dbraw/zinc/82/19/69/338821969.db2.gz CMFRWKLAJJDPSC-PBHICJAKSA-N 1 0 318.417 3.985 20 5 DHBDRO Cc1ncsc1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453313612 338823111 /nfs/dbraw/zinc/82/31/11/338823111.db2.gz VWDMDYIGBKAUIA-OAHLLOKOSA-N 1 0 317.414 3.569 20 5 DHBDRO CCC[C@H]([NH2+]CCc1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000453407578 338839646 /nfs/dbraw/zinc/83/96/46/338839646.db2.gz DNBZQPUDZPCMCV-SFHVURJKSA-N 1 0 313.401 3.972 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459645006 339040084 /nfs/dbraw/zinc/04/00/84/339040084.db2.gz FZTZVSAZNAVMDL-HNNXBMFYSA-N 1 0 313.401 3.799 20 5 DHBDRO COc1cc(C[NH2+]C2(C3CCC3)CCC2)c([N+](=O)[O-])cc1F ZINC000459749612 339046012 /nfs/dbraw/zinc/04/60/12/339046012.db2.gz GMUUCQZWNNGXBA-UHFFFAOYSA-N 1 0 308.353 3.555 20 5 DHBDRO CO[C@@H]1C[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459775169 339047835 /nfs/dbraw/zinc/04/78/35/339047835.db2.gz JJRDOXPUTVGOLQ-ZOHQOTHLSA-N 1 0 316.401 3.545 20 5 DHBDRO C[C@H](C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459786110 339048449 /nfs/dbraw/zinc/04/84/49/339048449.db2.gz BBSVJXBEKNQNPX-CHWSQXEVSA-N 1 0 322.405 3.565 20 5 DHBDRO O=[N+]([O-])c1ccc(CNc2cc3c(c[nH+]2)CCCC3)c(F)c1 ZINC000461187303 339060107 /nfs/dbraw/zinc/06/01/07/339060107.db2.gz QSSDSIMHDORRHP-UHFFFAOYSA-N 1 0 301.321 3.620 20 5 DHBDRO Cc1cc(N[C@@H](C)CC[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461773586 339066893 /nfs/dbraw/zinc/06/68/93/339066893.db2.gz JGJRCYTWNVLJFE-JTQLQIEISA-N 1 0 319.327 3.674 20 5 DHBDRO Cc1cc(NC2CC[NH+](C(C)(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461783387 339067056 /nfs/dbraw/zinc/06/70/56/339067056.db2.gz FGRNGFLIDWUMPK-UHFFFAOYSA-N 1 0 309.385 3.717 20 5 DHBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)C ZINC000463375656 339116130 /nfs/dbraw/zinc/11/61/30/339116130.db2.gz MPLVGVAUCDIBEG-UHFFFAOYSA-N 1 0 318.377 3.513 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000463470906 339118924 /nfs/dbraw/zinc/11/89/24/339118924.db2.gz UEMSHJCDWYVCBR-DOMZBBRYSA-N 1 0 322.380 3.897 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000464096395 339134309 /nfs/dbraw/zinc/13/43/09/339134309.db2.gz YWPMWDCRBHHLPI-JKSUJKDBSA-N 1 0 306.406 3.585 20 5 DHBDRO COc1cc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000464678516 339148432 /nfs/dbraw/zinc/14/84/32/339148432.db2.gz PMWBRAYMBBPFNP-XUJVJEKNSA-N 1 0 322.380 3.896 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000466362549 339200687 /nfs/dbraw/zinc/20/06/87/339200687.db2.gz BPKSKAMESXOSMY-USXIJHARSA-N 1 0 318.417 3.588 20 5 DHBDRO CC1(C)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)C1 ZINC000466937229 339222217 /nfs/dbraw/zinc/22/22/17/339222217.db2.gz BJDCDFAJTNJPSO-UHFFFAOYSA-N 1 0 317.389 3.994 20 5 DHBDRO C[C@@H](NCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000467837251 339247249 /nfs/dbraw/zinc/24/72/49/339247249.db2.gz ZFXJXZOSJJDWMT-CQSZACIVSA-N 1 0 305.422 3.510 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOc1ccccc1 ZINC000468643952 339267853 /nfs/dbraw/zinc/26/78/53/339267853.db2.gz VZJGGCVVFGNNLR-NTCAYCPXSA-N 1 0 312.369 3.667 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000468646732 339267905 /nfs/dbraw/zinc/26/79/05/339267905.db2.gz YKPUWUZZFBWMDO-MOVXZBDNSA-N 1 0 324.380 3.591 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000468654867 339268130 /nfs/dbraw/zinc/26/81/30/339268130.db2.gz CTAVHUDVAAZDOV-SPQRHKFCSA-N 1 0 319.449 3.564 20 5 DHBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000469994232 339307434 /nfs/dbraw/zinc/30/74/34/339307434.db2.gz YJPJFIPTOWPAIW-LBPRGKRZSA-N 1 0 302.296 3.758 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000470178815 339312975 /nfs/dbraw/zinc/31/29/75/339312975.db2.gz OKBIKNHOGNSZCO-RVDMUPIBSA-N 1 0 316.401 3.643 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000470204885 339314125 /nfs/dbraw/zinc/31/41/25/339314125.db2.gz XKUUYIHZKKTMKA-UHFFFAOYSA-N 1 0 300.402 3.962 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H](OC)C1 ZINC000471780103 339353839 /nfs/dbraw/zinc/35/38/39/339353839.db2.gz LXEYXYGIEMDJER-MCIONIFRSA-N 1 0 324.446 3.623 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CCC(C)(C)C ZINC000475666371 339458606 /nfs/dbraw/zinc/45/86/06/339458606.db2.gz BUKOGGOTXSLMIJ-GDBMZVCRSA-N 1 0 322.449 3.693 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)cc1 ZINC000479870136 339551809 /nfs/dbraw/zinc/55/18/09/339551809.db2.gz AHAIKDVGPXYBQM-UHFFFAOYSA-N 1 0 314.360 3.989 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c(F)c1 ZINC000480456750 339573718 /nfs/dbraw/zinc/57/37/18/339573718.db2.gz RWVHHDXLLSCJIF-HNNXBMFYSA-N 1 0 322.380 3.705 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480626656 339580390 /nfs/dbraw/zinc/58/03/90/339580390.db2.gz QQGWJGGYXPYFBB-LSDHHAIUSA-N 1 0 313.401 3.770 20 5 DHBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000481210026 339598439 /nfs/dbraw/zinc/59/84/39/339598439.db2.gz VXOFXYMJLOWERY-JTNHKYCSSA-N 1 0 310.369 3.657 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000483624633 339669851 /nfs/dbraw/zinc/66/98/51/339669851.db2.gz LMMZZFDXOZFMTK-QWHCGFSZSA-N 1 0 318.348 3.852 20 5 DHBDRO C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000484660530 339691971 /nfs/dbraw/zinc/69/19/71/339691971.db2.gz YCUHXQCMOXIOHL-GFCCVEGCSA-N 1 0 316.405 3.531 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000488431080 339781781 /nfs/dbraw/zinc/78/17/81/339781781.db2.gz KIDMOPAISYBWTD-WFASDCNBSA-N 1 0 324.446 3.613 20 5 DHBDRO COC(C)(C)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493245660 339920867 /nfs/dbraw/zinc/92/08/67/339920867.db2.gz DZHXJGGYTXNQAU-KRWDZBQOSA-N 1 0 314.385 3.699 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000495421605 339983904 /nfs/dbraw/zinc/98/39/04/339983904.db2.gz STSKZBGWKJQAQJ-IUODEOHRSA-N 1 0 306.406 3.900 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC(F)(F)CC2)c(F)c1 ZINC000500435950 340058687 /nfs/dbraw/zinc/05/86/87/340058687.db2.gz ZAPDTBBKBAJWAO-UHFFFAOYSA-N 1 0 302.296 3.649 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1cccc2[nH]ccc21 ZINC000500465298 340059779 /nfs/dbraw/zinc/05/97/79/340059779.db2.gz ZOAAAIRTUPJERM-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO CC[C@H]1C[C@H](C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000503553052 340130301 /nfs/dbraw/zinc/13/03/01/340130301.db2.gz WSPYQWDQUWTCNU-CJNGLKHVSA-N 1 0 306.406 3.625 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCO1 ZINC000504900301 340155342 /nfs/dbraw/zinc/15/53/42/340155342.db2.gz VKQLKILKIXVFTH-BBRMVZONSA-N 1 0 324.446 3.624 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccco1 ZINC000504905594 340155501 /nfs/dbraw/zinc/15/55/01/340155501.db2.gz KVLGHKNJABPWKZ-CYBMUJFWSA-N 1 0 320.414 3.891 20 5 DHBDRO COc1ccccc1C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000505598028 340172479 /nfs/dbraw/zinc/17/24/79/340172479.db2.gz UYGJOPCHLWFLHH-YFHOEESVSA-N 1 0 312.369 3.749 20 5 DHBDRO CCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507009662 340205324 /nfs/dbraw/zinc/20/53/24/340205324.db2.gz XPTZHHWPQQEMPY-JTQLQIEISA-N 1 0 302.321 3.817 20 5 DHBDRO CCC[C@@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000507022312 340205679 /nfs/dbraw/zinc/20/56/79/340205679.db2.gz NSIHWJGFYFJFFM-CYBMUJFWSA-N 1 0 316.405 3.616 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]2CC(C)C)c([N+](=O)[O-])cc1OC ZINC000507152318 340209710 /nfs/dbraw/zinc/20/97/10/340209710.db2.gz RPTIFYTYQZZDKQ-AWEZNQCLSA-N 1 0 322.405 3.623 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2CC(C)C)c([N+](=O)[O-])cc1OC ZINC000507152319 340209776 /nfs/dbraw/zinc/20/97/76/340209776.db2.gz RPTIFYTYQZZDKQ-CQSZACIVSA-N 1 0 322.405 3.623 20 5 DHBDRO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000507225621 340214397 /nfs/dbraw/zinc/21/43/97/340214397.db2.gz ALMKHWQQXWBSSB-UHFFFAOYSA-N 1 0 316.357 3.848 20 5 DHBDRO C[C@@H](C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000507921928 340235936 /nfs/dbraw/zinc/23/59/36/340235936.db2.gz RZFHFNATWKDISK-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO CC(C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000508037927 340237953 /nfs/dbraw/zinc/23/79/53/340237953.db2.gz BPYNWZHFZYGRHS-UHFFFAOYSA-N 1 0 314.332 3.817 20 5 DHBDRO CC[N@H+](Cc1ccccc1C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000509050464 340259659 /nfs/dbraw/zinc/25/96/59/340259659.db2.gz DGKYKFCGWAMYLA-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO Cc1ccc(C[N@H+](C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000510454222 340299908 /nfs/dbraw/zinc/29/99/08/340299908.db2.gz HLJQUULVAHKCFA-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO COC[C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000510467226 340300266 /nfs/dbraw/zinc/30/02/66/340300266.db2.gz IOEYVONNVWSSGF-LBPRGKRZSA-N 1 0 320.414 3.790 20 5 DHBDRO COc1cccc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511107684 340321001 /nfs/dbraw/zinc/32/10/01/340321001.db2.gz LLYIQAXBUUNILY-AWEZNQCLSA-N 1 0 314.385 3.839 20 5 DHBDRO C[N@H+](CCc1cccc(F)c1F)CCc1ccccc1[N+](=O)[O-] ZINC000511109050 340321200 /nfs/dbraw/zinc/32/12/00/340321200.db2.gz NYQOYTSTIPKNEN-UHFFFAOYSA-N 1 0 320.339 3.590 20 5 DHBDRO C[N@H+](CCCc1ccsc1)CCc1ccccc1[N+](=O)[O-] ZINC000511126868 340321660 /nfs/dbraw/zinc/32/16/60/340321660.db2.gz RXFVEIYSMSSUMD-UHFFFAOYSA-N 1 0 304.415 3.763 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000511353428 340325624 /nfs/dbraw/zinc/32/56/24/340325624.db2.gz ZDNPYYIHJXWKBP-CABCVRRESA-N 1 0 317.433 3.968 20 5 DHBDRO Cc1ccc2c(c1)CN([C@H](C)c1ccccc1[N+](=O)[O-])CCO2 ZINC000512251510 340354211 /nfs/dbraw/zinc/35/42/11/340354211.db2.gz HDJXDPALMDGMEP-CQSZACIVSA-N 1 0 312.369 3.859 20 5 DHBDRO Cc1c(C[N@@H+](C)[C@H]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000512325630 340357115 /nfs/dbraw/zinc/35/71/15/340357115.db2.gz WGYYPQWNXSMNIS-SFHVURJKSA-N 1 0 310.397 3.893 20 5 DHBDRO C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173422437 340364657 /nfs/dbraw/zinc/36/46/57/340364657.db2.gz RAYAIEHHMFUCFC-BBRMVZONSA-N 1 0 307.438 3.612 20 5 DHBDRO C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000173450485 340365318 /nfs/dbraw/zinc/36/53/18/340365318.db2.gz HSSPVAWEROAGMM-CHWSQXEVSA-N 1 0 318.348 3.852 20 5 DHBDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1csc([N+](=O)[O-])c1 ZINC000512701790 340373676 /nfs/dbraw/zinc/37/36/76/340373676.db2.gz VGVFELGBMSVSHH-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000513056691 340391220 /nfs/dbraw/zinc/39/12/20/340391220.db2.gz KHGXSHLCMIQQMA-NHYWBVRUSA-N 1 0 316.357 3.752 20 5 DHBDRO CC(C)CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000315688250 340676418 /nfs/dbraw/zinc/67/64/18/340676418.db2.gz QVHNQQWZCUKGTM-HZPDHXFCSA-N 1 0 306.406 3.524 20 5 DHBDRO CC[C@H]([NH2+]CC1(O)CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000315822189 340676944 /nfs/dbraw/zinc/67/69/44/340676944.db2.gz FSQJXUNRKZTQQQ-PWZRNIHTSA-N 1 0 306.406 3.577 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000540162043 340919204 /nfs/dbraw/zinc/91/92/04/340919204.db2.gz CLTUAZWOSDEWDA-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1cc(N[C@@H]2CCCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542121832 340995939 /nfs/dbraw/zinc/99/59/39/340995939.db2.gz CUCPRGMQVVWRTK-LLVKDONJSA-N 1 0 321.327 3.863 20 5 DHBDRO CCc1ccc([C@@H]([NH2+]C2CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542494839 341010252 /nfs/dbraw/zinc/01/02/52/341010252.db2.gz QBCVUMUIYVMQMK-KRWDZBQOSA-N 1 0 300.358 3.982 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000542497852 341010575 /nfs/dbraw/zinc/01/05/75/341010575.db2.gz FHBHFJIRPUQVMJ-JTQLQIEISA-N 1 0 324.302 3.905 20 5 DHBDRO COC1CCC(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000542682614 341017143 /nfs/dbraw/zinc/01/71/43/341017143.db2.gz FZYLAMAXJGDIAU-TUBUQKNSSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1ccc(F)cc1 ZINC000542705330 341018333 /nfs/dbraw/zinc/01/83/33/341018333.db2.gz RWPFMFJVUJPODG-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000543416143 341043206 /nfs/dbraw/zinc/04/32/06/341043206.db2.gz JYCSOYSBIVAUIA-JKSUJKDBSA-N 1 0 319.449 3.818 20 5 DHBDRO COC1CCC(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000543619485 341051298 /nfs/dbraw/zinc/05/12/98/341051298.db2.gz AIKOMWIFQDXZHE-XQRVVYSFSA-N 1 0 318.417 3.793 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000543627739 341051829 /nfs/dbraw/zinc/05/18/29/341051829.db2.gz XKGGVHVSUWWNBP-VXGBXAGGSA-N 1 0 305.403 3.814 20 5 DHBDRO CC[C@H](CC(F)(F)F)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000544939212 341100284 /nfs/dbraw/zinc/10/02/84/341100284.db2.gz AEMOAWNLQHOBNV-HOSRBBHYSA-N 1 0 302.296 3.929 20 5 DHBDRO Cc1ncc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000135235093 341233815 /nfs/dbraw/zinc/23/38/15/341233815.db2.gz JDIYGBWCFQHFOJ-UHFFFAOYSA-N 1 0 303.387 3.524 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000078973089 341250847 /nfs/dbraw/zinc/25/08/47/341250847.db2.gz AYDKWMKJUNGILI-NEPJUHHUSA-N 1 0 314.341 3.735 20 5 DHBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000136287800 341256306 /nfs/dbraw/zinc/25/63/06/341256306.db2.gz QYAGZOQKGFXDSI-ZDUSSCGKSA-N 1 0 302.349 3.670 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCF)o2)c(Cl)c1 ZINC000136516465 341260959 /nfs/dbraw/zinc/26/09/59/341260959.db2.gz FRGKMDGIGDDLFZ-UHFFFAOYSA-N 1 0 312.728 3.957 20 5 DHBDRO Cc1cccn2c(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cnc12 ZINC000080347034 341273002 /nfs/dbraw/zinc/27/30/02/341273002.db2.gz BAFYKTFTSYOPIR-UHFFFAOYSA-N 1 0 324.384 3.576 20 5 DHBDRO CSc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000549169693 341287745 /nfs/dbraw/zinc/28/77/45/341287745.db2.gz AETDZLBXGIKUES-UHFFFAOYSA-N 1 0 316.426 3.991 20 5 DHBDRO CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549865827 341305528 /nfs/dbraw/zinc/30/55/28/341305528.db2.gz GWYAKZRVTKSOSB-SNVBAGLBSA-N 1 0 302.296 3.846 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@@H](C)F)o2)c([N+](=O)[O-])c1 ZINC000549883823 341305757 /nfs/dbraw/zinc/30/57/57/341305757.db2.gz NDXQSZRYCBECSV-LLVKDONJSA-N 1 0 322.336 3.701 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CCCC1(C)C ZINC000550255175 341313548 /nfs/dbraw/zinc/31/35/48/341313548.db2.gz JGQCBAKNEWZIJH-RXEWJAMOSA-N 1 0 318.417 3.529 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000550255170 341313587 /nfs/dbraw/zinc/31/35/87/341313587.db2.gz JGQCBAKNEWZIJH-BLSFAOBESA-N 1 0 318.417 3.529 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000550931255 341327204 /nfs/dbraw/zinc/32/72/04/341327204.db2.gz BZCCMVREZISRGB-GUYCJALGSA-N 1 0 312.369 3.825 20 5 DHBDRO CC(C)(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000551296541 341337451 /nfs/dbraw/zinc/33/74/51/341337451.db2.gz KXWWFWJUZCTEAG-CABCVRRESA-N 1 0 320.437 3.691 20 5 DHBDRO CC1(C)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000551520899 341343819 /nfs/dbraw/zinc/34/38/19/341343819.db2.gz UBKWTRQEFQSMPZ-GFCCVEGCSA-N 1 0 302.296 3.892 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000247924962 341371124 /nfs/dbraw/zinc/37/11/24/341371124.db2.gz BNWXULUQFVOXRR-TWMKSMIVSA-N 1 0 318.417 3.839 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC2(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000552333936 341387200 /nfs/dbraw/zinc/38/72/00/341387200.db2.gz STPUKKSKDOICGH-JTQLQIEISA-N 1 0 302.296 3.896 20 5 DHBDRO COCc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000555420131 341482378 /nfs/dbraw/zinc/48/23/78/341482378.db2.gz BVUIICSCVZCZSA-AWEZNQCLSA-N 1 0 314.385 3.900 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCc1ccccc1 ZINC000156947295 341629276 /nfs/dbraw/zinc/62/92/76/341629276.db2.gz LUZZVAXMPUVCCC-HNNXBMFYSA-N 1 0 314.385 3.771 20 5 DHBDRO Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000573254341 341722567 /nfs/dbraw/zinc/72/25/67/341722567.db2.gz ALEAAOGKAAQCTL-CZUORRHYSA-N 1 0 312.369 3.558 20 5 DHBDRO CSC1(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000575224859 341787475 /nfs/dbraw/zinc/78/74/75/341787475.db2.gz VJGPKGOJMXAECR-UHFFFAOYSA-N 1 0 308.447 3.793 20 5 DHBDRO CCc1ccc([C@@H]([NH2+]CCCF)c2ccc([N+](=O)[O-])cc2)o1 ZINC000576739856 341860834 /nfs/dbraw/zinc/86/08/34/341860834.db2.gz NUHKPVHVGFWGLB-INIZCTEOSA-N 1 0 306.337 3.789 20 5 DHBDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000177578809 341921304 /nfs/dbraw/zinc/92/13/04/341921304.db2.gz FPANHJXOZXXFPD-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1c(C)noc1C ZINC000577963089 341959540 /nfs/dbraw/zinc/95/95/40/341959540.db2.gz OFTULOUZKYMVER-GJZGRUSLSA-N 1 0 315.373 3.928 20 5 DHBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1O ZINC000266804362 520729369 /nfs/dbraw/zinc/72/93/69/520729369.db2.gz SSZAKUAEWYGJJM-LBPRGKRZSA-N 1 0 316.357 3.550 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157781497 521173493 /nfs/dbraw/zinc/17/34/93/521173493.db2.gz IPWNBACPKRIAMS-NJAFHUGGSA-N 1 0 318.417 3.983 20 5 DHBDRO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000265853740 521693255 /nfs/dbraw/zinc/69/32/55/521693255.db2.gz ITWIHJJQQVSGNB-BPLDGKMQSA-N 1 0 324.446 3.682 20 5 DHBDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000160053901 522639148 /nfs/dbraw/zinc/63/91/48/522639148.db2.gz QZAXBXUXJBHCJD-HOTGVXAUSA-N 1 0 320.414 3.605 20 5 DHBDRO CC[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161058480 522747137 /nfs/dbraw/zinc/74/71/37/522747137.db2.gz QMVHVOUMYABMLL-ZWKOTPCHSA-N 1 0 314.385 3.759 20 5 DHBDRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155802541 524223437 /nfs/dbraw/zinc/22/34/37/524223437.db2.gz VNJBSFKQZNLYAX-PXAZEXFGSA-N 1 0 312.369 3.942 20 5 DHBDRO C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000246463385 524299367 /nfs/dbraw/zinc/29/93/67/524299367.db2.gz OEWGCUUQDKKFJH-RYUDHWBXSA-N 1 0 317.414 3.949 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000191123313 524610464 /nfs/dbraw/zinc/61/04/64/524610464.db2.gz BRFHLDINTRMBMV-HNNXBMFYSA-N 1 0 316.332 3.656 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266887508 524706500 /nfs/dbraw/zinc/70/65/00/524706500.db2.gz QLRIKOZYOIOEFT-OLZOCXBDSA-N 1 0 300.358 3.582 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173387370 524707970 /nfs/dbraw/zinc/70/79/70/524707970.db2.gz LYRKWTNHDHNRNW-CHWSQXEVSA-N 1 0 300.358 3.582 20 5 DHBDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc(C)c1O ZINC000266906332 524778714 /nfs/dbraw/zinc/77/87/14/524778714.db2.gz VEOCFQZXKNHBPH-CYBMUJFWSA-N 1 0 300.358 3.768 20 5 DHBDRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000158004299 524813947 /nfs/dbraw/zinc/81/39/47/524813947.db2.gz LWIHAAGYLDLIEY-AWEZNQCLSA-N 1 0 312.369 3.593 20 5 DHBDRO CSCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339155266 525444084 /nfs/dbraw/zinc/44/40/84/525444084.db2.gz CRMSRMBSTMAWMV-UHFFFAOYSA-N 1 0 322.352 3.799 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(NCCC[NH+](C(C)C)C(C)C)c1 ZINC000338678777 525450658 /nfs/dbraw/zinc/45/06/58/525450658.db2.gz HTZHXWKBWXNPOO-UHFFFAOYSA-N 1 0 309.410 3.524 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266807665 525522601 /nfs/dbraw/zinc/52/26/01/525522601.db2.gz UKLQFBUDRZKHST-NVGCLXPQSA-N 1 0 318.348 3.507 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000127308761 525573187 /nfs/dbraw/zinc/57/31/87/525573187.db2.gz NCVOVLSSOHUGJD-DZGCQCFKSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000162935689 525590318 /nfs/dbraw/zinc/59/03/18/525590318.db2.gz RBXQBSIVHFHBKC-SDNTUTLCSA-N 1 0 316.401 3.593 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000339446583 525850386 /nfs/dbraw/zinc/85/03/86/525850386.db2.gz CLSYTJKACMMQBT-ZBFHGGJFSA-N 1 0 302.399 3.940 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000159998591 525898363 /nfs/dbraw/zinc/89/83/63/525898363.db2.gz GXCGCBYXBJBMAY-WBMJQRKESA-N 1 0 320.414 3.523 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000191351091 525920456 /nfs/dbraw/zinc/92/04/56/525920456.db2.gz QMIDJUNAFYNKDU-LBPRGKRZSA-N 1 0 302.378 3.531 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249888196 526079608 /nfs/dbraw/zinc/07/96/08/526079608.db2.gz PVDFUCDBRLPHHT-GXTWGEPZSA-N 1 0 317.414 3.992 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191623603 526085493 /nfs/dbraw/zinc/08/54/93/526085493.db2.gz MWMSGISLXCLIHM-CQSZACIVSA-N 1 0 311.385 3.930 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCS2)c(Cl)c1 ZINC000158244087 527350319 /nfs/dbraw/zinc/35/03/19/527350319.db2.gz ZVLITOKBEOYWPQ-LBPRGKRZSA-N 1 0 300.811 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCS2)c(Cl)c1 ZINC000158244230 527350858 /nfs/dbraw/zinc/35/08/58/527350858.db2.gz ZVLITOKBEOYWPQ-GFCCVEGCSA-N 1 0 300.811 3.624 20 5 DHBDRO CCOC1CC2(C1)CC[N@@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000285498415 535397609 /nfs/dbraw/zinc/39/76/09/535397609.db2.gz MYISKOXVHYBGLP-CBCUQQMYSA-N 1 0 304.390 3.547 20 5 DHBDRO COCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272518810 536808319 /nfs/dbraw/zinc/80/83/19/536808319.db2.gz HLLGEQIYJSYUJT-DZGCQCFKSA-N 1 0 318.373 3.925 20 5 DHBDRO COCC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000272133420 536819451 /nfs/dbraw/zinc/81/94/51/536819451.db2.gz XFASPAFUEBHKTD-CJNGLKHVSA-N 1 0 318.373 3.925 20 5 DHBDRO C[NH+](C)CC1CCN(c2ccc3ccc4cccnc4c3n2)CC1 ZINC001165041835 721943784 /nfs/dbraw/zinc/94/37/84/721943784.db2.gz GFBOKVSADVUZHO-UHFFFAOYSA-N 1 0 320.440 3.561 20 5 DHBDRO CC[C@H]1CCC[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000425996526 1013065890 /nfs/dbraw/zinc/06/58/90/1013065890.db2.gz QQHUZNBSENIXBN-LSDHHAIUSA-N 1 0 320.437 3.645 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2O)cc1[N+](=O)[O-] ZINC000154949522 1013106573 /nfs/dbraw/zinc/10/65/73/1013106573.db2.gz VIDUHRPHHBNEEF-ZDUSSCGKSA-N 1 0 300.358 3.502 20 5 DHBDRO C[N@H+](CCC1CC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092067053 1013293751 /nfs/dbraw/zinc/29/37/51/1013293751.db2.gz KZTYJAUWBRDPCE-UHFFFAOYSA-N 1 0 317.414 3.950 20 5 DHBDRO CCCO[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000247107419 1013364362 /nfs/dbraw/zinc/36/43/62/1013364362.db2.gz KIWBZVKDVHLPJV-PBHICJAKSA-N 1 0 306.406 3.937 20 5 DHBDRO Cc1cccc(C[N@H+](Cc2cccnc2[N+](=O)[O-])CC(C)C)c1 ZINC001167199715 1013383048 /nfs/dbraw/zinc/38/30/48/1013383048.db2.gz SXGKZMSDLOEOGZ-UHFFFAOYSA-N 1 0 313.401 3.956 20 5 DHBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093839068 1013455926 /nfs/dbraw/zinc/45/59/26/1013455926.db2.gz XGDSGKWSIIHFHC-OAHLLOKOSA-N 1 0 306.406 3.577 20 5 DHBDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894801794 1013491922 /nfs/dbraw/zinc/49/19/22/1013491922.db2.gz GVTJPOLIKNOOQE-NSHDSACASA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000247231688 1013595175 /nfs/dbraw/zinc/59/51/75/1013595175.db2.gz XBCZUNMYDBEUMM-IAOVAPTHSA-N 1 0 314.389 3.626 20 5 DHBDRO CC(C)C[NH+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)C ZINC000052855942 1013612117 /nfs/dbraw/zinc/61/21/17/1013612117.db2.gz VPRYCYPNFGXLLV-UHFFFAOYSA-N 1 0 322.405 3.575 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1CN(Cc1ccccc1)C1CC1 ZINC000025124267 1013745888 /nfs/dbraw/zinc/74/58/88/1013745888.db2.gz VZHQUQJKAJAKAJ-UHFFFAOYSA-N 1 0 312.369 3.768 20 5 DHBDRO CC[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000091929207 1014092803 /nfs/dbraw/zinc/09/28/03/1014092803.db2.gz JSVBGDUGNBJZQN-LBPRGKRZSA-N 1 0 317.414 3.950 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000275910327 1014209151 /nfs/dbraw/zinc/20/91/51/1014209151.db2.gz XACAPSPVJROUKT-GUYCJALGSA-N 1 0 304.390 3.547 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000049183683 1014220761 /nfs/dbraw/zinc/22/07/61/1014220761.db2.gz VISRVYFIVBZYEY-NSHDSACASA-N 1 0 306.387 3.824 20 5 DHBDRO CC[C@@H](C)[C@@H](C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000520592052 1014361661 /nfs/dbraw/zinc/36/16/61/1014361661.db2.gz QQVRYINRDAJNFL-ZIAGYGMSSA-N 1 0 306.406 3.873 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](C)c1nccs1 ZINC000248437209 1014442079 /nfs/dbraw/zinc/44/20/79/1014442079.db2.gz BDWOMHGPKLWEFU-NWDGAFQWSA-N 1 0 305.403 3.848 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)CCc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000323075541 1014550699 /nfs/dbraw/zinc/55/06/99/1014550699.db2.gz RHDGNJVUQPDDGL-ZDUSSCGKSA-N 1 0 314.385 3.720 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cnc(Cl)s1 ZINC000895152293 1014635348 /nfs/dbraw/zinc/63/53/48/1014635348.db2.gz QILPGKPITXYJFH-UHFFFAOYSA-N 1 0 311.794 3.611 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1cccc([N+](=O)[O-])c1 ZINC000442774724 1014729604 /nfs/dbraw/zinc/72/96/04/1014729604.db2.gz DHKYXIZXJLLQHR-OCCSQVGLSA-N 1 0 321.380 3.894 20 5 DHBDRO COCC(C)(C)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000521899086 1014830905 /nfs/dbraw/zinc/83/09/05/1014830905.db2.gz JABACEHMYFBJCE-HNNXBMFYSA-N 1 0 306.406 3.625 20 5 DHBDRO COc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1C ZINC000581456262 1014872089 /nfs/dbraw/zinc/87/20/89/1014872089.db2.gz YGOONDAOHKIIFS-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000522268813 1014992412 /nfs/dbraw/zinc/99/24/12/1014992412.db2.gz UKOBBBSSXBQZDB-UHFFFAOYSA-N 1 0 302.399 3.863 20 5 DHBDRO CCC[C@H]([NH2+][C@H](CC)C[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000361812532 1032107548 /nfs/dbraw/zinc/10/75/48/1032107548.db2.gz MLYLMKWFPOFQBO-LXZKKBNFSA-N 1 0 308.422 3.823 20 5 DHBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000414197418 1015282519 /nfs/dbraw/zinc/28/25/19/1015282519.db2.gz VSLRSALSJQBNMK-DAXOMENPSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000051235519 1015366664 /nfs/dbraw/zinc/36/66/64/1015366664.db2.gz QGKPVSXGMHBSNU-MRXNPFEDSA-N 1 0 315.373 3.745 20 5 DHBDRO Cc1nn(C(C)C)c(C)c1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000891622215 1015460161 /nfs/dbraw/zinc/46/01/61/1015460161.db2.gz WAKHSKWDGVCAHL-UHFFFAOYSA-N 1 0 316.405 3.621 20 5 DHBDRO COCc1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000175984944 1015541247 /nfs/dbraw/zinc/54/12/47/1015541247.db2.gz VLJDWXIXBFEHCN-UHFFFAOYSA-N 1 0 314.385 3.766 20 5 DHBDRO CC(C)C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610582551 1015629773 /nfs/dbraw/zinc/62/97/73/1015629773.db2.gz XCYOPCOEMJNQPM-GFCCVEGCSA-N 1 0 303.362 3.604 20 5 DHBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581136 1015630715 /nfs/dbraw/zinc/63/07/15/1015630715.db2.gz PVCCMVRWQAUVMG-RISCZKNCSA-N 1 0 303.362 3.747 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)cc1Cl ZINC000896613461 1015672842 /nfs/dbraw/zinc/67/28/42/1015672842.db2.gz XFAZRXJLPIPZJG-INIZCTEOSA-N 1 0 317.776 3.884 20 5 DHBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000610709512 1015729390 /nfs/dbraw/zinc/72/93/90/1015729390.db2.gz VDWRHFMMYWTTLC-OCCSQVGLSA-N 1 0 317.414 3.731 20 5 DHBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000522536229 1015774503 /nfs/dbraw/zinc/77/45/03/1015774503.db2.gz BVAMNENSKDNUDR-UHFFFAOYSA-N 1 0 316.788 3.847 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000610810552 1015849612 /nfs/dbraw/zinc/84/96/12/1015849612.db2.gz UZYKYEKZHXWZKP-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000610811086 1015853717 /nfs/dbraw/zinc/85/37/17/1015853717.db2.gz OFAWKWOOLGDVIY-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO CC[C@H]1CCCCC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000538736458 1016164046 /nfs/dbraw/zinc/16/40/46/1016164046.db2.gz GFMXRYXUGSWJCJ-AWEZNQCLSA-N 1 0 322.405 3.767 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000065535975 1016205401 /nfs/dbraw/zinc/20/54/01/1016205401.db2.gz WSYVNZCMJQSTLH-QGZVFWFLSA-N 1 0 304.390 3.628 20 5 DHBDRO O=[N+]([O-])c1ccccc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380972304 1016258102 /nfs/dbraw/zinc/25/81/02/1016258102.db2.gz BBMNDNOVCRLDLV-MRXNPFEDSA-N 1 0 311.385 3.529 20 5 DHBDRO COc1ccc(CN2CCc3sccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000051425575 1016357759 /nfs/dbraw/zinc/35/77/59/1016357759.db2.gz QRUDCCZEUXYZRO-LLVKDONJSA-N 1 0 318.398 3.784 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000562066685 1016839842 /nfs/dbraw/zinc/83/98/42/1016839842.db2.gz XIZUMCQMSREWCW-SAXRGWBVSA-N 1 0 310.344 3.549 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1Cl ZINC000897071350 1017033854 /nfs/dbraw/zinc/03/38/54/1017033854.db2.gz AUSWQASTYKYAJI-CQSZACIVSA-N 1 0 317.776 3.810 20 5 DHBDRO [NH3+]CCc1cc2ccccc2n1-c1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001171305757 1032311537 /nfs/dbraw/zinc/31/15/37/1032311537.db2.gz YRKRZHIMPXCZLE-UHFFFAOYSA-N 1 0 320.352 3.521 20 5 DHBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000235153452 1032370139 /nfs/dbraw/zinc/37/01/39/1032370139.db2.gz VGKWIMRSYFNFCO-NWDGAFQWSA-N 1 0 300.811 3.622 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000320624729 1017292089 /nfs/dbraw/zinc/29/20/89/1017292089.db2.gz IYRPXMQKOZIVGI-UHFFFAOYSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000475232634 1017093976 /nfs/dbraw/zinc/09/39/76/1017093976.db2.gz KFEAATJVRCMETM-LLVKDONJSA-N 1 0 302.378 3.530 20 5 DHBDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000773066617 1032545310 /nfs/dbraw/zinc/54/53/10/1032545310.db2.gz WGEAIPIQEFFKLM-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000773140315 1032573773 /nfs/dbraw/zinc/57/37/73/1032573773.db2.gz VKBAZWGYRUBIGY-PUPMMZHASA-N 1 0 324.471 3.625 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cncn2C(C)C)cc1[N+](=O)[O-] ZINC000424149604 1011921112 /nfs/dbraw/zinc/92/11/12/1011921112.db2.gz WUWILZPCCXQTQB-CYBMUJFWSA-N 1 0 302.378 3.531 20 5 DHBDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000475283513 1017115802 /nfs/dbraw/zinc/11/58/02/1017115802.db2.gz IMBLXHJDVCOFMQ-CBHWHFHUSA-N 1 0 314.307 3.881 20 5 DHBDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000475283519 1017115829 /nfs/dbraw/zinc/11/58/29/1017115829.db2.gz IMBLXHJDVCOFMQ-YJLKIPLNSA-N 1 0 314.307 3.881 20 5 DHBDRO Cc1c(C[N@H+](C)CCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000065596327 1017141012 /nfs/dbraw/zinc/14/10/12/1017141012.db2.gz NPKOITJDLXVBMM-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000897246134 1017198104 /nfs/dbraw/zinc/19/81/04/1017198104.db2.gz PYLMUTDOLJTMCO-AWEZNQCLSA-N 1 0 324.808 3.830 20 5 DHBDRO COc1ccc(CCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178648692 1017386616 /nfs/dbraw/zinc/38/66/16/1017386616.db2.gz OEBQCARQJNTDMF-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ccc(F)cc2)cc1Cl ZINC000783597441 1017424641 /nfs/dbraw/zinc/42/46/41/1017424641.db2.gz DHJMQCBWWSLZSU-UHFFFAOYSA-N 1 0 324.739 3.556 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000083169972 1017604389 /nfs/dbraw/zinc/60/43/89/1017604389.db2.gz OJULCAHTOLCWBP-FZMZJTMJSA-N 1 0 301.346 3.501 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000444659755 1017610272 /nfs/dbraw/zinc/61/02/72/1017610272.db2.gz DZJNWBHZEZGSAZ-FZMZJTMJSA-N 1 0 310.369 3.753 20 5 DHBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000444680939 1017627295 /nfs/dbraw/zinc/62/72/95/1017627295.db2.gz RVQOUHYCRGZNEL-LLVKDONJSA-N 1 0 316.386 3.774 20 5 DHBDRO CC(C)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000444771199 1017667945 /nfs/dbraw/zinc/66/79/45/1017667945.db2.gz INNJELWEZOJAID-GFCCVEGCSA-N 1 0 303.362 3.604 20 5 DHBDRO Cc1c(F)cc([N+](=O)[O-])cc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167627360 1017737139 /nfs/dbraw/zinc/73/71/39/1017737139.db2.gz CEXCTYSFPNBNGZ-UHFFFAOYSA-N 1 0 309.385 3.527 20 5 DHBDRO Cc1cc(N2CCC[C@H](c3ncc[nH]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000091479626 1017749196 /nfs/dbraw/zinc/74/91/96/1017749196.db2.gz HVIXKGJQXFBQRV-NSHDSACASA-N 1 0 320.780 3.664 20 5 DHBDRO COc1ccc(C[N@@H+]2CCC[C@H](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000523707817 1017765079 /nfs/dbraw/zinc/76/50/79/1017765079.db2.gz VCXLUSUNAWDMDI-HNNXBMFYSA-N 1 0 306.406 3.862 20 5 DHBDRO Cc1c(CN(C)Cc2cc(Cl)cn2C)cccc1[N+](=O)[O-] ZINC000120100358 1017903057 /nfs/dbraw/zinc/90/30/57/1017903057.db2.gz FZYOERGGQHIQMV-UHFFFAOYSA-N 1 0 307.781 3.527 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000171613875 1017965227 /nfs/dbraw/zinc/96/52/27/1017965227.db2.gz FNXDWFNDHHIYFI-UHFFFAOYSA-N 1 0 321.380 3.677 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000524356392 1017968886 /nfs/dbraw/zinc/96/88/86/1017968886.db2.gz AKIHRNQPRNSGEA-UHFFFAOYSA-N 1 0 314.360 3.941 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173415617 1018206017 /nfs/dbraw/zinc/20/60/17/1018206017.db2.gz KFLCWLNIYHFWNS-UONOGXRCSA-N 1 0 300.358 3.713 20 5 DHBDRO C[C@@]1(c2ccccc2)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000446724410 1018227049 /nfs/dbraw/zinc/22/70/49/1018227049.db2.gz ZYJOZWNTQXFJNV-GOSISDBHSA-N 1 0 314.360 3.898 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000125015369 1018234494 /nfs/dbraw/zinc/23/44/94/1018234494.db2.gz GZZPLESZUMRUDL-LTIDMASMSA-N 1 0 304.390 3.593 20 5 DHBDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446828799 1018260646 /nfs/dbraw/zinc/26/06/46/1018260646.db2.gz ZJJZGJKFJYJFCB-VXGBXAGGSA-N 1 0 302.378 3.530 20 5 DHBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000525695596 1018357328 /nfs/dbraw/zinc/35/73/28/1018357328.db2.gz WCAJJPPOJABCCH-INIZCTEOSA-N 1 0 320.776 3.726 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000525694969 1018357771 /nfs/dbraw/zinc/35/77/71/1018357771.db2.gz BIHJATIZFNLXJX-RBSFLKMASA-N 1 0 304.390 3.662 20 5 DHBDRO CC1(C)CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447527114 1018404405 /nfs/dbraw/zinc/40/44/05/1018404405.db2.gz DHOHTHXSXBXIAK-LSDHHAIUSA-N 1 0 320.437 3.833 20 5 DHBDRO CC(C)CCOCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447564929 1018427964 /nfs/dbraw/zinc/42/79/64/1018427964.db2.gz ZRBMOUKZBZIJAR-KRWDZBQOSA-N 1 0 306.406 3.625 20 5 DHBDRO CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)[C@@H](C)C(C)C ZINC000764927081 1018428676 /nfs/dbraw/zinc/42/86/76/1018428676.db2.gz XAUVHWURUGDKJI-ZDUSSCGKSA-N 1 0 304.394 3.577 20 5 DHBDRO CC(C)CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447585693 1018429720 /nfs/dbraw/zinc/42/97/20/1018429720.db2.gz KARRPNCRPWCIFL-CABCVRRESA-N 1 0 320.437 3.691 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)COC3)CCC2 ZINC000447589343 1018431732 /nfs/dbraw/zinc/43/17/32/1018431732.db2.gz XNLSKLVZHYTMLJ-LJQANCHMSA-N 1 0 324.380 3.792 20 5 DHBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228150881 1018454003 /nfs/dbraw/zinc/45/40/03/1018454003.db2.gz BYMLCDUXFUCJQN-VIFPVBQESA-N 1 0 319.188 3.763 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(O)cc(F)c1 ZINC000926492827 1018458480 /nfs/dbraw/zinc/45/84/80/1018458480.db2.gz GGBNCSHERADIMD-WDEREUQCSA-N 1 0 304.321 3.851 20 5 DHBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000527359167 1018560886 /nfs/dbraw/zinc/56/08/86/1018560886.db2.gz FQDOGIDUDVEHBK-KRWDZBQOSA-N 1 0 318.348 3.854 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)nc2C)cc1[N+](=O)[O-] ZINC000278323920 1018568149 /nfs/dbraw/zinc/56/81/49/1018568149.db2.gz FFUJKCNURADDPX-LLVKDONJSA-N 1 0 303.337 3.597 20 5 DHBDRO CC[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765313941 1018751088 /nfs/dbraw/zinc/75/10/88/1018751088.db2.gz WYLXRGWVXVEUHR-UONOGXRCSA-N 1 0 305.422 3.588 20 5 DHBDRO CC[C@H]([NH2+]CCC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000693830168 1018774734 /nfs/dbraw/zinc/77/47/34/1018774734.db2.gz YDBWBZUEKQMAOD-ZDUSSCGKSA-N 1 0 312.460 3.832 20 5 DHBDRO O=[N+]([O-])c1ccccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000052722879 1018791527 /nfs/dbraw/zinc/79/15/27/1018791527.db2.gz CKCNEEADAATBIN-UHFFFAOYSA-N 1 0 311.385 3.803 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cccc([N+](=O)[O-])c1 ZINC000921817212 1018897671 /nfs/dbraw/zinc/89/76/71/1018897671.db2.gz JSILUTXTIRVQMO-QGZVFWFLSA-N 1 0 312.369 3.771 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000922970079 1018954312 /nfs/dbraw/zinc/95/43/12/1018954312.db2.gz ZQBGELDYLFLQSB-UYZDIKGJSA-N 1 0 316.401 3.689 20 5 DHBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278715028 1019077727 /nfs/dbraw/zinc/07/77/27/1019077727.db2.gz LXQLLAWQLPCZSV-WBAXXEDZSA-N 1 0 318.417 3.765 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000278745185 1019176604 /nfs/dbraw/zinc/17/66/04/1019176604.db2.gz NPEUMWTYUQEBID-QGZVFWFLSA-N 1 0 311.385 3.674 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1ccccc1[N+](=O)[O-] ZINC000921968034 1019231901 /nfs/dbraw/zinc/23/19/01/1019231901.db2.gz VZQPBLZYPLECRF-CHWSQXEVSA-N 1 0 312.369 3.769 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000131444021 1019293055 /nfs/dbraw/zinc/29/30/55/1019293055.db2.gz BGCFQACROJWEOB-INIZCTEOSA-N 1 0 300.333 3.819 20 5 DHBDRO Cc1occc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611080820 1019395667 /nfs/dbraw/zinc/39/56/67/1019395667.db2.gz HBYCGMSRMWOPAH-YOEHRIQHSA-N 1 0 314.385 3.997 20 5 DHBDRO Cc1occc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611080819 1019397229 /nfs/dbraw/zinc/39/72/29/1019397229.db2.gz HBYCGMSRMWOPAH-WMLDXEAASA-N 1 0 314.385 3.997 20 5 DHBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255361573 1019408406 /nfs/dbraw/zinc/40/84/06/1019408406.db2.gz NVVMAWOJTJQMLM-MSEQUDFZSA-N 1 0 311.385 3.784 20 5 DHBDRO CCc1ccc([C@@H](CO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000090844556 1019420881 /nfs/dbraw/zinc/42/08/81/1019420881.db2.gz UPMMGUIGBBEARD-FZKQIMNGSA-N 1 0 314.385 3.541 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccoc2C)cc1[N+](=O)[O-] ZINC000611248224 1019421513 /nfs/dbraw/zinc/42/15/13/1019421513.db2.gz QLPLMKYXCSZDDS-LLVKDONJSA-N 1 0 304.346 3.746 20 5 DHBDRO COC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000480367310 1019440511 /nfs/dbraw/zinc/44/05/11/1019440511.db2.gz WQUJJQKIYZWEBX-AWEZNQCLSA-N 1 0 306.406 3.903 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611350966 1019451662 /nfs/dbraw/zinc/45/16/62/1019451662.db2.gz VVZPWLPCPJVZGV-PMPSAXMXSA-N 1 0 318.417 3.794 20 5 DHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000611370312 1019457665 /nfs/dbraw/zinc/45/76/65/1019457665.db2.gz XTNLSBYLSWTMIF-GXTWGEPZSA-N 1 0 317.414 3.904 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000611475907 1019496933 /nfs/dbraw/zinc/49/69/33/1019496933.db2.gz QCYJIQAWUZMBEE-JQWIXIFHSA-N 1 0 314.332 3.832 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000611509748 1019505895 /nfs/dbraw/zinc/50/58/95/1019505895.db2.gz ZQWUEZZHERODBW-ZIAGYGMSSA-N 1 0 323.462 3.747 20 5 DHBDRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000611555042 1019517354 /nfs/dbraw/zinc/51/73/54/1019517354.db2.gz KJEPFHNUOFOWTF-AAEUAGOBSA-N 1 0 316.323 3.800 20 5 DHBDRO C[C@@H](Nc1ccc(N2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000192751300 1032838658 /nfs/dbraw/zinc/83/86/58/1032838658.db2.gz PZTYWLWCDIRBGH-CYBMUJFWSA-N 1 0 312.373 3.763 20 5 DHBDRO COc1ccccc1C1CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000368838175 1019554095 /nfs/dbraw/zinc/55/40/95/1019554095.db2.gz JGGMNIRSDGCFKJ-UHFFFAOYSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@@H](c1ccco1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000069065260 1019949720 /nfs/dbraw/zinc/94/97/20/1019949720.db2.gz JQLODCHDDGFDDC-ZDUSSCGKSA-N 1 0 304.346 3.650 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000154233921 1020084383 /nfs/dbraw/zinc/08/43/83/1020084383.db2.gz GVOAFDRXJCMXET-MLGOLLRUSA-N 1 0 324.446 3.930 20 5 DHBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC(C)(C)O ZINC000093414436 1020151715 /nfs/dbraw/zinc/15/17/15/1020151715.db2.gz DJANBAQZHOZMRD-UHFFFAOYSA-N 1 0 320.414 3.526 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000124350302 1020166857 /nfs/dbraw/zinc/16/68/57/1020166857.db2.gz WMSRRZBIPYVNSQ-KDOFPFPSSA-N 1 0 317.433 3.510 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154963915 1020171787 /nfs/dbraw/zinc/17/17/87/1020171787.db2.gz LKENAQIYGALXKH-IUODEOHRSA-N 1 0 319.430 3.610 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000330711154 1020238899 /nfs/dbraw/zinc/23/88/99/1020238899.db2.gz PSEHKBWKZBGJJS-GOEBONIOSA-N 1 0 318.417 3.713 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1cccs1)C1CC1 ZINC000155572124 1020248568 /nfs/dbraw/zinc/24/85/68/1020248568.db2.gz ODGXOKWERRXISQ-INIZCTEOSA-N 1 0 316.426 3.810 20 5 DHBDRO CC[N@H+](CC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000732663239 1020267315 /nfs/dbraw/zinc/26/73/15/1020267315.db2.gz LHGSAXZSRBRMAZ-UHFFFAOYSA-N 1 0 307.375 3.561 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926948452 1032888618 /nfs/dbraw/zinc/88/86/18/1032888618.db2.gz IOPFLDMSWPDDFP-WCFLWFBJSA-N 1 0 316.323 3.704 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCS1 ZINC000922843110 1020298945 /nfs/dbraw/zinc/29/89/45/1020298945.db2.gz PMUGGMFBSUFOHW-GXSJLCMTSA-N 1 0 300.811 3.622 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CSc3ccccc32)cc1 ZINC000156258506 1020335798 /nfs/dbraw/zinc/33/57/98/1020335798.db2.gz NIZMCFBZYBJONC-HNNXBMFYSA-N 1 0 300.383 3.574 20 5 DHBDRO CC(C)OCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000186642770 1020362367 /nfs/dbraw/zinc/36/23/67/1020362367.db2.gz IHUVZTKMHMGKDM-GOSISDBHSA-N 1 0 314.385 3.699 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000393418291 1020386743 /nfs/dbraw/zinc/38/67/43/1020386743.db2.gz GRYPACVTVOJVMK-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000489832260 1020419690 /nfs/dbraw/zinc/41/96/90/1020419690.db2.gz NBQCLQUTPPVEBN-CYBMUJFWSA-N 1 0 302.349 3.797 20 5 DHBDRO CCOC(C)(C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302470023 1020425266 /nfs/dbraw/zinc/42/52/66/1020425266.db2.gz UAZDGALSQXZWNS-UHFFFAOYSA-N 1 0 303.362 3.678 20 5 DHBDRO O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cn2)C2CC2)cc1 ZINC000554495931 1020547670 /nfs/dbraw/zinc/54/76/70/1020547670.db2.gz MHPZAEWJRBJYKF-UHFFFAOYSA-N 1 0 317.776 3.808 20 5 DHBDRO Cc1ccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000715647168 1020554398 /nfs/dbraw/zinc/55/43/98/1020554398.db2.gz VXOLIDGUNPPGEK-INIZCTEOSA-N 1 0 311.385 3.590 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411689470 1020582004 /nfs/dbraw/zinc/58/20/04/1020582004.db2.gz FWEIDHAMKXOTDT-ROUUACIJSA-N 1 0 314.360 3.764 20 5 DHBDRO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000480642922 1020596756 /nfs/dbraw/zinc/59/67/56/1020596756.db2.gz NVZDPDMTENYCOE-KKUMJFAQSA-N 1 0 305.422 3.508 20 5 DHBDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411969825 1020637867 /nfs/dbraw/zinc/63/78/67/1020637867.db2.gz MFNKIVJVDZLOIJ-ZUZCIYMTSA-N 1 0 312.797 3.541 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@@H]1c1ccccc1 ZINC000580602333 1020851001 /nfs/dbraw/zinc/85/10/01/1020851001.db2.gz FZBXVNDDHYIXQW-ZWKOTPCHSA-N 1 0 310.397 3.873 20 5 DHBDRO C[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)CC(C)(C)C ZINC000738098960 1020859662 /nfs/dbraw/zinc/85/96/62/1020859662.db2.gz MKDIOKFLNXIVKM-UHFFFAOYSA-N 1 0 309.391 3.807 20 5 DHBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC3(CCCC3)CC2)c1 ZINC000738282685 1020868307 /nfs/dbraw/zinc/86/83/07/1020868307.db2.gz HXFSKLIPIHZURA-UHFFFAOYSA-N 1 0 314.389 3.558 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000173979549 1020948464 /nfs/dbraw/zinc/94/84/64/1020948464.db2.gz SKLPIECFBDIFIW-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000414165308 1020952178 /nfs/dbraw/zinc/95/21/78/1020952178.db2.gz CASPTJWAOPAODS-XNJJOIOASA-N 1 0 300.333 3.941 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000740860735 1020954156 /nfs/dbraw/zinc/95/41/56/1020954156.db2.gz RJSVNIHYZCMGAE-VHSXEESVSA-N 1 0 307.375 3.560 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000414209395 1021000780 /nfs/dbraw/zinc/00/07/80/1021000780.db2.gz MLYXLJHMLNPCMN-ATGSNQNLSA-N 1 0 304.390 3.833 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000741790584 1021053671 /nfs/dbraw/zinc/05/36/71/1021053671.db2.gz HTZDGKDWEQBBRR-HNNXBMFYSA-N 1 0 314.360 3.799 20 5 DHBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000742165285 1021059042 /nfs/dbraw/zinc/05/90/42/1021059042.db2.gz GFURHVXVZDYAKC-UHFFFAOYSA-N 1 0 314.389 3.558 20 5 DHBDRO COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000537952494 1032952192 /nfs/dbraw/zinc/95/21/92/1032952192.db2.gz HZJWNZJSLRQMPE-KSSFIOAISA-N 1 0 314.385 3.942 20 5 DHBDRO Cc1cc(C)cc([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180422121 1021112031 /nfs/dbraw/zinc/11/20/31/1021112031.db2.gz LXAXVAJSVMVOBF-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO [NH3+]Cc1nn(-c2ccc([N+](=O)[O-])c3ccccc32)c2ccccc12 ZINC001167700516 1021134136 /nfs/dbraw/zinc/13/41/36/1021134136.db2.gz JVEOIAPWKLUNHK-UHFFFAOYSA-N 1 0 318.336 3.546 20 5 DHBDRO CC(C)C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277258 1021209348 /nfs/dbraw/zinc/20/93/48/1021209348.db2.gz MDQKKMJOLPDLPC-IAGOWNOFSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1ccc([C@H](C)[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776274237 1021217232 /nfs/dbraw/zinc/21/72/32/1021217232.db2.gz CHQRWECPMMJREC-KSSFIOAISA-N 1 0 314.385 3.630 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000776276448 1021219460 /nfs/dbraw/zinc/21/94/60/1021219460.db2.gz NCFKWNPMPLKTBD-LSDHHAIUSA-N 1 0 318.398 3.527 20 5 DHBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743380244 1021286968 /nfs/dbraw/zinc/28/69/68/1021286968.db2.gz XLGOCNYUECXYQB-CZUORRHYSA-N 1 0 316.405 3.803 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(Cl)cc1F ZINC000189189944 1021343744 /nfs/dbraw/zinc/34/37/44/1021343744.db2.gz ARKDJKGJUMZKAU-UHFFFAOYSA-N 1 0 308.740 3.986 20 5 DHBDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000850343645 1021481233 /nfs/dbraw/zinc/48/12/33/1021481233.db2.gz XNAQHWFEALNVBB-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)OCC1CC1 ZINC000414499929 1021515778 /nfs/dbraw/zinc/51/57/78/1021515778.db2.gz DEVJDQAHPANBSH-ZROIWOOFSA-N 1 0 318.417 3.793 20 5 DHBDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000092224062 1021565509 /nfs/dbraw/zinc/56/55/09/1021565509.db2.gz BHDMRXXVBJTLKA-OAHLLOKOSA-N 1 0 315.373 3.582 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@H]2COC3(CCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000850523306 1021575723 /nfs/dbraw/zinc/57/57/23/1021575723.db2.gz FSOSEOZRCDSONY-WBMJQRKESA-N 1 0 316.401 3.618 20 5 DHBDRO CN(Cc1cnc(C2CC2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000556793862 1021852274 /nfs/dbraw/zinc/85/22/74/1021852274.db2.gz GTWLZDMWRJBIAW-UHFFFAOYSA-N 1 0 303.387 3.561 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000893097106 1021915947 /nfs/dbraw/zinc/91/59/47/1021915947.db2.gz DXAKNBQLDLVQGF-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000556924819 1021949464 /nfs/dbraw/zinc/94/94/64/1021949464.db2.gz MWXHTEBGDYHGKA-VDERGJSUSA-N 1 0 320.458 3.647 20 5 DHBDRO COCC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000341237466 1022062136 /nfs/dbraw/zinc/06/21/36/1022062136.db2.gz MEXMODRYCYODLE-UHFFFAOYSA-N 1 0 316.357 3.514 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cccc1C(F)(F)F ZINC001168979539 1022198232 /nfs/dbraw/zinc/19/82/32/1022198232.db2.gz ZDAHVCZNUHLRPK-WCQYABFASA-N 1 0 316.323 3.549 20 5 DHBDRO C[C@]12CC3CC([NH2+][C@@H]4CC[C@H](C[N+](=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC001168965541 1022201768 /nfs/dbraw/zinc/20/17/68/1022201768.db2.gz AMCKPEBKVULKOW-DIYAKSSWSA-N 1 0 306.450 3.770 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cc(Cl)ccc2Cl)C1 ZINC001168964667 1022202067 /nfs/dbraw/zinc/20/20/67/1022202067.db2.gz VBLMDCLHBRLTCZ-MFKMUULPSA-N 1 0 317.216 3.571 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001168970707 1022206164 /nfs/dbraw/zinc/20/61/64/1022206164.db2.gz IODOGEISJJHXGC-WDMOLILDSA-N 1 0 316.323 3.801 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3cccc(F)c3)CCC2)C1 ZINC001168997024 1022209336 /nfs/dbraw/zinc/20/93/36/1022209336.db2.gz BBEDGIRLQDAHOF-RDJZCZTQSA-N 1 0 320.408 3.574 20 5 DHBDRO Cc1ccc(CC(C)(C)C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168997140 1022209606 /nfs/dbraw/zinc/20/96/06/1022209606.db2.gz XUOBWKKSRRYODF-SJORKVTESA-N 1 0 304.434 3.599 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)C1 ZINC001168997071 1022210184 /nfs/dbraw/zinc/21/01/84/1022210184.db2.gz XGGXSRLDMZMOTL-DZGCQCFKSA-N 1 0 322.836 3.698 20 5 DHBDRO CCC1CCC([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000921047271 1022210468 /nfs/dbraw/zinc/21/04/68/1022210468.db2.gz XQSTXPMZUVUDRE-UHFFFAOYSA-N 1 0 316.405 3.803 20 5 DHBDRO Cc1ccccc1CC(C)(C)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169000588 1022211023 /nfs/dbraw/zinc/21/10/23/1022211023.db2.gz XTVQXLZQWKNHSZ-NVXWUHKLSA-N 1 0 304.434 3.599 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC001169005674 1022213491 /nfs/dbraw/zinc/21/34/91/1022213491.db2.gz BYMNTSNFZQRQBX-DYVFJYSZSA-N 1 0 320.820 3.875 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc4ccccc43)CC2)C1 ZINC001168990834 1022218941 /nfs/dbraw/zinc/21/89/41/1022218941.db2.gz DUUPLYOWXQVXBK-GDBMZVCRSA-N 1 0 310.397 3.864 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC001169035496 1022221500 /nfs/dbraw/zinc/22/15/00/1022221500.db2.gz BNRAWXFRZCYBGO-KBAYOESNSA-N 1 0 302.418 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)CC2)C1 ZINC001169035495 1022221921 /nfs/dbraw/zinc/22/19/21/1022221921.db2.gz BNRAWXFRZCYBGO-BPQIPLTHSA-N 1 0 302.418 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC001169039717 1022221980 /nfs/dbraw/zinc/22/19/80/1022221980.db2.gz SPXIJRBSLXUUCP-INWMFGNUSA-N 1 0 308.809 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3ccccc3)CC2)C1 ZINC001169035497 1022222514 /nfs/dbraw/zinc/22/25/14/1022222514.db2.gz BNRAWXFRZCYBGO-NJAFHUGGSA-N 1 0 302.418 3.702 20 5 DHBDRO C[Si](C)(C)C[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036760 1022223048 /nfs/dbraw/zinc/22/30/48/1022223048.db2.gz PWTVAZATLCAKBH-DLBZAZTESA-N 1 0 320.509 3.811 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001169025986 1022228313 /nfs/dbraw/zinc/22/83/13/1022228313.db2.gz KKOHYJVBJBOJDS-DAXOMENPSA-N 1 0 308.809 3.922 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000853240801 1022242549 /nfs/dbraw/zinc/24/25/49/1022242549.db2.gz MJBGLMUCOVODPZ-VIFPVBQESA-N 1 0 319.327 3.806 20 5 DHBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853411554 1022272068 /nfs/dbraw/zinc/27/20/68/1022272068.db2.gz MXFYPFVWIBVPKB-VXGBXAGGSA-N 1 0 313.348 3.817 20 5 DHBDRO Cc1c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC001169148957 1022280312 /nfs/dbraw/zinc/28/03/12/1022280312.db2.gz XCNLJRAUZKLDCF-SUMWQHHRSA-N 1 0 323.412 3.998 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000609505559 1022296535 /nfs/dbraw/zinc/29/65/35/1022296535.db2.gz MDDMCIQDZYZDKW-LLVKDONJSA-N 1 0 309.391 3.744 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000609631012 1022323659 /nfs/dbraw/zinc/32/36/59/1022323659.db2.gz TVAHPUHPAWXDBT-CQSZACIVSA-N 1 0 317.414 3.733 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)CCc2ccncc2)cc1[N+](=O)[O-] ZINC000183756548 1022350843 /nfs/dbraw/zinc/35/08/43/1022350843.db2.gz UWPVUUGVKOIKCE-UHFFFAOYSA-N 1 0 313.401 3.788 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000122956430 1022367992 /nfs/dbraw/zinc/36/79/92/1022367992.db2.gz BBLPUZBFXWETJY-KBPBESRZSA-N 1 0 314.385 3.891 20 5 DHBDRO C[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c2ccccc21 ZINC001169381816 1022380611 /nfs/dbraw/zinc/38/06/11/1022380611.db2.gz TXRBYKZHCVRUJU-BDJLRTHQSA-N 1 0 309.369 3.858 20 5 DHBDRO CS[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000776722151 1022432912 /nfs/dbraw/zinc/43/29/12/1022432912.db2.gz DKVFWODDNDCLNY-ARFHVFGLSA-N 1 0 320.458 3.790 20 5 DHBDRO O=[N+]([O-])c1cc2c(cc1NCCc1coc3ccccc13)C[NH2+]C2 ZINC001169600946 1022464112 /nfs/dbraw/zinc/46/41/12/1022464112.db2.gz ZWSRBPVYFYUEBU-UHFFFAOYSA-N 1 0 323.352 3.599 20 5 DHBDRO C[NH+](C)CCC(C)(C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001169717419 1022517306 /nfs/dbraw/zinc/51/73/06/1022517306.db2.gz FPYMXDXWHANTDE-UHFFFAOYSA-N 1 0 319.327 3.756 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000767195612 1022660785 /nfs/dbraw/zinc/66/07/85/1022660785.db2.gz MYKAFHBOPRSBLW-HOTGVXAUSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417307936 1022676758 /nfs/dbraw/zinc/67/67/58/1022676758.db2.gz GUYSYQJAKFBTOU-UHOFOFEASA-N 1 0 316.426 3.981 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1CCOCC1)CCCC2 ZINC000417307260 1022676854 /nfs/dbraw/zinc/67/68/54/1022676854.db2.gz GYHBWNHLFXUHEY-GOSISDBHSA-N 1 0 318.417 3.769 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)CCCC2 ZINC000417313325 1022678634 /nfs/dbraw/zinc/67/86/34/1022678634.db2.gz PBUWKHQXQCZGEJ-DDUZABMNSA-N 1 0 318.417 3.503 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000068659180 1022716306 /nfs/dbraw/zinc/71/63/06/1022716306.db2.gz KRRJYHDUQIJJAK-GFCCVEGCSA-N 1 0 309.366 3.510 20 5 DHBDRO CCC1(CC)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000776847572 1022732311 /nfs/dbraw/zinc/73/23/11/1022732311.db2.gz SXXBXCNGAYHRMU-INIZCTEOSA-N 1 0 306.406 3.530 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1COCc2ccccc21 ZINC000418109054 1022957731 /nfs/dbraw/zinc/95/77/31/1022957731.db2.gz SLROWLSTMCVPBC-JNMQVBFRSA-N 1 0 324.380 3.859 20 5 DHBDRO COCCCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000418131070 1022967615 /nfs/dbraw/zinc/96/76/15/1022967615.db2.gz HKWKWWHQDRKFJY-UHFFFAOYSA-N 1 0 318.373 3.713 20 5 DHBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1C ZINC000781925392 1023086945 /nfs/dbraw/zinc/08/69/45/1023086945.db2.gz TVQDUNDYOHOJED-XKQJLSEDSA-N 1 0 306.406 3.529 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]1C ZINC000770281760 1023290129 /nfs/dbraw/zinc/29/01/29/1023290129.db2.gz ADCYFHGBLUXXPR-NXEZZACHSA-N 1 0 313.195 3.588 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCCc1cccc(F)c1)C2 ZINC000538712809 1033141679 /nfs/dbraw/zinc/14/16/79/1033141679.db2.gz JZJXLLSIAQCQNF-UHFFFAOYSA-N 1 0 314.360 3.725 20 5 DHBDRO CC(C)([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000785607750 1023594176 /nfs/dbraw/zinc/59/41/76/1023594176.db2.gz RZYUKGUFLHLJKV-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@@H]([NH2+]CCSC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000178419365 1023597347 /nfs/dbraw/zinc/59/73/47/1023597347.db2.gz QBGWYBDXUZTUGP-LLVKDONJSA-N 1 0 308.325 3.889 20 5 DHBDRO C[C@H]1C[C@@H]1c1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000538728392 1033149317 /nfs/dbraw/zinc/14/93/17/1033149317.db2.gz QTGIECBFWPIHDZ-LRDDRELGSA-N 1 0 312.369 3.870 20 5 DHBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)C(C)C ZINC000112656957 1023815233 /nfs/dbraw/zinc/81/52/33/1023815233.db2.gz WMZPAVVMSGKQBY-LBPRGKRZSA-N 1 0 318.377 3.511 20 5 DHBDRO CC[C@H]([NH2+]CCCCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000164673667 1023830600 /nfs/dbraw/zinc/83/06/00/1023830600.db2.gz QMTNIZJYSALNBX-KRWDZBQOSA-N 1 0 316.405 3.621 20 5 DHBDRO Cc1cccc(OCC[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000788479616 1023891744 /nfs/dbraw/zinc/89/17/44/1023891744.db2.gz XIWMZNYSJAHYFB-UHFFFAOYSA-N 1 0 318.348 3.553 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500222 1023894774 /nfs/dbraw/zinc/89/47/74/1023894774.db2.gz ZKPINNJGXVEWBZ-NSHDSACASA-N 1 0 319.792 3.724 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788498562 1023895205 /nfs/dbraw/zinc/89/52/05/1023895205.db2.gz NNUBXHGFDQQBON-SNVBAGLBSA-N 1 0 305.765 3.681 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788506581 1023897917 /nfs/dbraw/zinc/89/79/17/1023897917.db2.gz WKIICNKGRBXIRU-NSHDSACASA-N 1 0 319.792 3.724 20 5 DHBDRO Cc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000788612568 1023914205 /nfs/dbraw/zinc/91/42/05/1023914205.db2.gz MYRVXTIJJDYAKI-WCQYABFASA-N 1 0 317.389 3.750 20 5 DHBDRO CC(C)CSCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788685729 1023920378 /nfs/dbraw/zinc/92/03/78/1023920378.db2.gz KOHHPKQJPKHPTK-LBPRGKRZSA-N 1 0 311.451 3.607 20 5 DHBDRO C[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788801008 1023935278 /nfs/dbraw/zinc/93/52/78/1023935278.db2.gz KEIMCMKRIVSJBT-RCBQFDQVSA-N 1 0 311.385 3.774 20 5 DHBDRO CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000789364476 1024062687 /nfs/dbraw/zinc/06/26/87/1024062687.db2.gz WNZCOMWELORKRH-UGSOOPFHSA-N 1 0 314.385 3.541 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000237546820 1024149384 /nfs/dbraw/zinc/14/93/84/1024149384.db2.gz BKIYJIQESALMEU-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268764621 1024154816 /nfs/dbraw/zinc/15/48/16/1024154816.db2.gz PKLVXJRFSLOIME-LRDDRELGSA-N 1 0 319.430 3.610 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000269044107 1024229319 /nfs/dbraw/zinc/22/93/19/1024229319.db2.gz UQTIMWFAMKVDFV-QWRGUYRKSA-N 1 0 320.311 3.521 20 5 DHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000520214218 1024262236 /nfs/dbraw/zinc/26/22/36/1024262236.db2.gz JMAQVUVIVXIJHX-QGZVFWFLSA-N 1 0 319.449 3.647 20 5 DHBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000051650297 1024324105 /nfs/dbraw/zinc/32/41/05/1024324105.db2.gz LTQQAWXCEAFNNN-KRWDZBQOSA-N 1 0 300.333 3.853 20 5 DHBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000314606415 1024334407 /nfs/dbraw/zinc/33/44/07/1024334407.db2.gz YMBYXWINCAJXIM-SNVBAGLBSA-N 1 0 301.337 3.673 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1C[C@H](OC)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000453131944 1024358672 /nfs/dbraw/zinc/35/86/72/1024358672.db2.gz MDNXNOPNLMMLBX-XHSDSOJGSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000270630315 1024412399 /nfs/dbraw/zinc/41/23/99/1024412399.db2.gz MALHXNMYNARLMK-XUJVJEKNSA-N 1 0 320.414 3.819 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC1(C)C ZINC000453281566 1024438306 /nfs/dbraw/zinc/43/83/06/1024438306.db2.gz HHZPHLNCYNPIAF-DOMZBBRYSA-N 1 0 324.446 3.623 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC000453365024 1024488349 /nfs/dbraw/zinc/48/83/49/1024488349.db2.gz CKVCTXDUMSGUGO-CQSZACIVSA-N 1 0 320.433 3.885 20 5 DHBDRO Cc1cc(C)c(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000453372052 1024493849 /nfs/dbraw/zinc/49/38/49/1024493849.db2.gz RYUKKXDTLVMJBS-SFHVURJKSA-N 1 0 311.385 3.774 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453409274 1024506688 /nfs/dbraw/zinc/50/66/88/1024506688.db2.gz RELYDQBZFWOESA-FRFSOERESA-N 1 0 306.406 3.902 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000271495795 1024522895 /nfs/dbraw/zinc/52/28/95/1024522895.db2.gz LGHFNZRYCOMOBU-JKSUJKDBSA-N 1 0 314.389 3.826 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000271542501 1024535326 /nfs/dbraw/zinc/53/53/26/1024535326.db2.gz SVVCTRWSTANQJS-GDBMZVCRSA-N 1 0 304.390 3.737 20 5 DHBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000271550966 1024538534 /nfs/dbraw/zinc/53/85/34/1024538534.db2.gz QOKQKZZTPQCRAW-ZFWWWQNUSA-N 1 0 312.797 3.541 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000271571829 1024544121 /nfs/dbraw/zinc/54/41/21/1024544121.db2.gz YUKWFGOFQNWHLQ-GOEBONIOSA-N 1 0 318.417 3.607 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[N@H+](C)C1CCCCC1 ZINC000532211990 1024577654 /nfs/dbraw/zinc/57/76/54/1024577654.db2.gz OCLABAYRDHJRKN-OAHLLOKOSA-N 1 0 319.449 3.818 20 5 DHBDRO CC(C)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCC1 ZINC000108364393 1024639956 /nfs/dbraw/zinc/63/99/56/1024639956.db2.gz YGOVKQMADCOJPR-UHFFFAOYSA-N 1 0 320.389 3.614 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]CCC2CCCC2)c([N+](=O)[O-])c1 ZINC001170297694 1024730303 /nfs/dbraw/zinc/73/03/03/1024730303.db2.gz QSSKKDUTOLIWAA-CYBMUJFWSA-N 1 0 306.406 3.704 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]CC(C)(C)CC2CC2)c([N+](=O)[O-])c1 ZINC001170322415 1024740625 /nfs/dbraw/zinc/74/06/25/1024740625.db2.gz GFTVZKZKXYKJKP-ZDUSSCGKSA-N 1 0 320.433 3.950 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000349707076 1024744085 /nfs/dbraw/zinc/74/40/85/1024744085.db2.gz MZEVJNLNXCGNIX-GXTWGEPZSA-N 1 0 322.405 3.623 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC001170336391 1024746223 /nfs/dbraw/zinc/74/62/23/1024746223.db2.gz XKGRZGGRKRHIIS-KGLIPLIRSA-N 1 0 306.406 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170334436 1024746251 /nfs/dbraw/zinc/74/62/51/1024746251.db2.gz DSLFKUGPLGOYSP-OFQRWUPVSA-N 1 0 318.417 3.656 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170329756 1024746653 /nfs/dbraw/zinc/74/66/53/1024746653.db2.gz TWEPMFWFLWKKCW-BMFZPTHFSA-N 1 0 318.417 3.656 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279129145 1024751870 /nfs/dbraw/zinc/75/18/70/1024751870.db2.gz QWKZGGXTOAFXQO-KRWDZBQOSA-N 1 0 311.385 3.810 20 5 DHBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCCCC1 ZINC001170342532 1024756041 /nfs/dbraw/zinc/75/60/41/1024756041.db2.gz OVRSZHQAVQVROK-AWEZNQCLSA-N 1 0 319.405 3.578 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000170719148 1024866133 /nfs/dbraw/zinc/86/61/33/1024866133.db2.gz SGFUPQRHINDYCH-PWSUYJOCSA-N 1 0 302.296 3.930 20 5 DHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1 ZINC000353668490 1025188737 /nfs/dbraw/zinc/18/87/37/1025188737.db2.gz GODOUZPGDPCTID-HNNXBMFYSA-N 1 0 316.401 3.794 20 5 DHBDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000236864414 1025290276 /nfs/dbraw/zinc/29/02/76/1025290276.db2.gz ORBQDBPNWSNFIF-OLZOCXBDSA-N 1 0 312.435 3.730 20 5 DHBDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353949230 1025302923 /nfs/dbraw/zinc/30/29/23/1025302923.db2.gz AOJNCABSLLYKTJ-LBPRGKRZSA-N 1 0 312.435 3.567 20 5 DHBDRO COc1cccc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001170451883 1025303817 /nfs/dbraw/zinc/30/38/17/1025303817.db2.gz RLZZHRCXZPIKBE-UHFFFAOYSA-N 1 0 321.421 3.667 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000804505720 1025322661 /nfs/dbraw/zinc/32/26/61/1025322661.db2.gz IUGCFQBEJWJECX-ZDUSSCGKSA-N 1 0 323.824 3.560 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)CCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000897459146 1025351161 /nfs/dbraw/zinc/35/11/61/1025351161.db2.gz IOWMNTMSQMSWSP-GJZGRUSLSA-N 1 0 313.401 3.704 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000897458768 1025351603 /nfs/dbraw/zinc/35/16/03/1025351603.db2.gz DYZMLCWCJXEICI-CPUCHLNUSA-N 1 0 320.433 3.882 20 5 DHBDRO Cc1nn(C(C)C)cc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463438 1025366250 /nfs/dbraw/zinc/36/62/50/1025366250.db2.gz FXRFRRVHYIRMFK-ZDUSSCGKSA-N 1 0 316.405 3.574 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)C1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000897464797 1025368188 /nfs/dbraw/zinc/36/81/88/1025368188.db2.gz OPBOIRHACRNMRS-OLZOCXBDSA-N 1 0 308.447 3.820 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465634 1025369488 /nfs/dbraw/zinc/36/94/88/1025369488.db2.gz YQPJIAGTGTXEPQ-ZIAGYGMSSA-N 1 0 314.385 3.625 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccc(Cl)nc1)c1ccccc1[N+](=O)[O-] ZINC000897469216 1025393692 /nfs/dbraw/zinc/39/36/92/1025393692.db2.gz GKEUOQMQHHSDAD-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000897469408 1025399617 /nfs/dbraw/zinc/39/96/17/1025399617.db2.gz JSKFKPIJURNJHY-AWEZNQCLSA-N 1 0 324.380 3.764 20 5 DHBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000728926269 1025478425 /nfs/dbraw/zinc/47/84/25/1025478425.db2.gz HPTKYMOEINECNP-UHFFFAOYSA-N 1 0 302.349 3.801 20 5 DHBDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000136947911 1025494397 /nfs/dbraw/zinc/49/43/97/1025494397.db2.gz CPRGEVVWYJMLHZ-KDOFPFPSSA-N 1 0 314.385 3.630 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000886114505 1025514985 /nfs/dbraw/zinc/51/49/85/1025514985.db2.gz QOPHNTYNKTYORG-UONOGXRCSA-N 1 0 304.390 3.595 20 5 DHBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000886242929 1025570375 /nfs/dbraw/zinc/57/03/75/1025570375.db2.gz JFHBCQPONVHVNI-DLBZAZTESA-N 1 0 311.385 3.758 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C2CC2)no1 ZINC000886270504 1025574214 /nfs/dbraw/zinc/57/42/14/1025574214.db2.gz FOAZFKKYKHKEEC-GHXNOFRVSA-N 1 0 313.357 3.653 20 5 DHBDRO CC[C@H](NCC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000355064956 1025597794 /nfs/dbraw/zinc/59/77/94/1025597794.db2.gz LXYRNTVKCPOAHT-KRWDZBQOSA-N 1 0 319.449 3.758 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000886364415 1025606529 /nfs/dbraw/zinc/60/65/29/1025606529.db2.gz ZCHMAHDRECSIHA-OAHLLOKOSA-N 1 0 316.332 3.520 20 5 DHBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000355211446 1025639757 /nfs/dbraw/zinc/63/97/57/1025639757.db2.gz BYPOBDGBZNZAQD-KRWDZBQOSA-N 1 0 306.406 3.719 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222898 1025953519 /nfs/dbraw/zinc/95/35/19/1025953519.db2.gz OUJJNDWEJXDCKS-HNNXBMFYSA-N 1 0 318.417 3.857 20 5 DHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C12CCCC2 ZINC000809560652 1026550948 /nfs/dbraw/zinc/55/09/48/1026550948.db2.gz OJBNBVLCQLYHMH-HOTGVXAUSA-N 1 0 322.380 3.561 20 5 DHBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000809688560 1026593574 /nfs/dbraw/zinc/59/35/74/1026593574.db2.gz LZOZNBXFMSYBPL-UHFFFAOYSA-N 1 0 319.792 3.626 20 5 DHBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000809708137 1026599565 /nfs/dbraw/zinc/59/95/65/1026599565.db2.gz ZLFBGXBOKUWQEC-UHFFFAOYSA-N 1 0 324.808 3.639 20 5 DHBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809767831 1026605867 /nfs/dbraw/zinc/60/58/67/1026605867.db2.gz VNHFCTFIJOQRPQ-LLVKDONJSA-N 1 0 302.827 3.822 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420956473 1026892184 /nfs/dbraw/zinc/89/21/84/1026892184.db2.gz YJVLTCPPOPOOMK-NSHDSACASA-N 1 0 302.296 3.759 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC000421824405 1027059643 /nfs/dbraw/zinc/05/96/43/1027059643.db2.gz IMLRRJZLYHCMHU-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO COc1cc(C[NH+]2CCC(C)(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000562052205 1027201217 /nfs/dbraw/zinc/20/12/17/1027201217.db2.gz PORXRGMHLZKLKS-UHFFFAOYSA-N 1 0 304.390 3.616 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000562059212 1027206513 /nfs/dbraw/zinc/20/65/13/1027206513.db2.gz TWXOGGTUJXUUTJ-XZDPQHSOSA-N 1 0 306.381 3.786 20 5 DHBDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000362455720 1027214898 /nfs/dbraw/zinc/21/48/98/1027214898.db2.gz SXVOZPBAVWJNQI-GFCCVEGCSA-N 1 0 312.435 3.567 20 5 DHBDRO Cc1ccc([C@H](C)N[C@H]2C[C@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422917692 1027373106 /nfs/dbraw/zinc/37/31/06/1027373106.db2.gz FNPHOEIDWCXDNV-ZLIFDBKOSA-N 1 0 311.385 3.699 20 5 DHBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000574372625 1027389502 /nfs/dbraw/zinc/38/95/02/1027389502.db2.gz FGTOGCGEOYSIGQ-CYBMUJFWSA-N 1 0 321.421 3.720 20 5 DHBDRO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](C)OC ZINC000812807594 1027430468 /nfs/dbraw/zinc/43/04/68/1027430468.db2.gz RVWFJNJKOKJONP-VIFPVBQESA-N 1 0 321.204 3.758 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1COc3ccccc3C1)CCC2 ZINC000575081583 1027451479 /nfs/dbraw/zinc/45/14/79/1027451479.db2.gz FIAYCVMUSQDNLU-CRAIPNDOSA-N 1 0 324.380 3.566 20 5 DHBDRO CCOc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000575761442 1027498990 /nfs/dbraw/zinc/49/89/90/1027498990.db2.gz AUGTVBQETJEFGM-KRWDZBQOSA-N 1 0 312.369 3.771 20 5 DHBDRO CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423499263 1027563918 /nfs/dbraw/zinc/56/39/18/1027563918.db2.gz JGIZQHMPOFXOJZ-SCLBCKFNSA-N 1 0 313.401 3.508 20 5 DHBDRO COCc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000158533897 1027564474 /nfs/dbraw/zinc/56/44/74/1027564474.db2.gz VNYUFVDZDQBNQM-AWEZNQCLSA-N 1 0 314.385 3.900 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000577197715 1027725221 /nfs/dbraw/zinc/72/52/21/1027725221.db2.gz POMBWGILHSCKBA-GOEBONIOSA-N 1 0 320.433 3.743 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000577197716 1027725913 /nfs/dbraw/zinc/72/59/13/1027725913.db2.gz POMBWGILHSCKBA-HOCLYGCPSA-N 1 0 320.433 3.743 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)C1CC1 ZINC000577220845 1027726708 /nfs/dbraw/zinc/72/67/08/1027726708.db2.gz YXGULNNHYPVBEF-JYJNAYRXSA-N 1 0 306.381 3.786 20 5 DHBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H](OCC3CC3)C2)ccc1Cl ZINC000778173302 1027739996 /nfs/dbraw/zinc/73/99/96/1027739996.db2.gz RVHCELZRBGKIAJ-CQSZACIVSA-N 1 0 324.808 3.639 20 5 DHBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000577336776 1027753574 /nfs/dbraw/zinc/75/35/74/1027753574.db2.gz PSUCCFARCLMRAA-UHFFFAOYSA-N 1 0 321.421 3.526 20 5 DHBDRO Cc1[nH+]c2c(n1Cc1ccc(Cl)c([N+](=O)[O-])c1)CCCC2 ZINC000216713849 1027780270 /nfs/dbraw/zinc/78/02/70/1027780270.db2.gz MVVPYWOUFVWAME-UHFFFAOYSA-N 1 0 305.765 3.680 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000601101837 1027987292 /nfs/dbraw/zinc/98/72/92/1027987292.db2.gz YRIJQCCMEIGHLV-SNVBAGLBSA-N 1 0 307.300 3.778 20 5 DHBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601266051 1028050351 /nfs/dbraw/zinc/05/03/51/1028050351.db2.gz ZVJGGGLQDAOSLU-XIKOKIGWSA-N 1 0 312.369 3.942 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934691552 1028073003 /nfs/dbraw/zinc/07/30/03/1028073003.db2.gz IVLFMKQUKJNIML-MRXNPFEDSA-N 1 0 317.776 3.884 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000578668924 1028211123 /nfs/dbraw/zinc/21/11/23/1028211123.db2.gz UWQCVFHYJALVQA-AFAVFJNCSA-N 1 0 324.380 3.736 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(C(F)(F)F)C1 ZINC000578693516 1028217215 /nfs/dbraw/zinc/21/72/15/1028217215.db2.gz IGFGZFZTBFSPEC-YHYXMXQVSA-N 1 0 314.307 3.929 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000578964211 1028287194 /nfs/dbraw/zinc/28/71/94/1028287194.db2.gz DBFYXUPWHFRLHX-GJZGRUSLSA-N 1 0 318.417 3.903 20 5 DHBDRO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000579027400 1028304944 /nfs/dbraw/zinc/30/49/44/1028304944.db2.gz FDQLNPFRORDSIW-BJJXKVORSA-N 1 0 320.458 3.790 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2occc21 ZINC000449077047 1028341587 /nfs/dbraw/zinc/34/15/87/1028341587.db2.gz QUHWXDYWQDLDKH-SWLSCSKDSA-N 1 0 300.358 3.786 20 5 DHBDRO Cc1csc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449116685 1028372206 /nfs/dbraw/zinc/37/22/06/1028372206.db2.gz MFCOHJJOFLGYES-PWSUYJOCSA-N 1 0 305.403 3.642 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000564253459 1028383745 /nfs/dbraw/zinc/38/37/45/1028383745.db2.gz ZVRNFOYNWKLZGV-GFCCVEGCSA-N 1 0 313.357 3.871 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)Oc1ccccc1 ZINC000449156140 1028409721 /nfs/dbraw/zinc/40/97/21/1028409721.db2.gz NOAVPWIVXONUMQ-CABCVRRESA-N 1 0 314.385 3.583 20 5 DHBDRO C[C@H](Cc1ccoc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449228892 1028469039 /nfs/dbraw/zinc/46/90/39/1028469039.db2.gz WVRYVPCITYSHMK-LLVKDONJSA-N 1 0 308.765 3.605 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000369391828 1028484911 /nfs/dbraw/zinc/48/49/11/1028484911.db2.gz PNZRVPRIVNKPLR-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO COCC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000449309657 1028527683 /nfs/dbraw/zinc/52/76/83/1028527683.db2.gz DZFKUZWVXDLBRD-XJKSGUPXSA-N 1 0 308.422 3.567 20 5 DHBDRO COC1CCC(C)(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449294643 1028535331 /nfs/dbraw/zinc/53/53/31/1028535331.db2.gz MCESBGAEZPTSSS-MXWWQKGMSA-N 1 0 320.433 3.711 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815564999 1028546357 /nfs/dbraw/zinc/54/63/57/1028546357.db2.gz ZUAUFUITJSTCTH-QWRGUYRKSA-N 1 0 305.403 3.959 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566944 1028547060 /nfs/dbraw/zinc/54/70/60/1028547060.db2.gz KIDKATSJMMMMLV-GFCCVEGCSA-N 1 0 322.368 3.576 20 5 DHBDRO C[C@H]([NH2+]CCCc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578182 1028550665 /nfs/dbraw/zinc/55/06/65/1028550665.db2.gz JJJNEVCPFKFRSL-LBPRGKRZSA-N 1 0 317.364 3.600 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCc1cccs1 ZINC000565219229 1028561156 /nfs/dbraw/zinc/56/11/56/1028561156.db2.gz VWAYOYZHMUMSES-HNNXBMFYSA-N 1 0 302.399 3.866 20 5 DHBDRO Cc1cccc(C)c1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815596838 1028562485 /nfs/dbraw/zinc/56/24/85/1028562485.db2.gz GCXDNZJAXNTHEL-CQSZACIVSA-N 1 0 313.401 3.687 20 5 DHBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571297 1028563423 /nfs/dbraw/zinc/56/34/23/1028563423.db2.gz ZXGGBQZIGFIYQQ-SJKOYZFVSA-N 1 0 311.385 3.824 20 5 DHBDRO CS[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000815615422 1028569475 /nfs/dbraw/zinc/56/94/75/1028569475.db2.gz PJHPXSFSZMMSHA-QMTHXVAHSA-N 1 0 311.451 3.605 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCc3c(F)cccc32)c1 ZINC000449352052 1028571119 /nfs/dbraw/zinc/57/11/19/1028571119.db2.gz RYJMFIXJTXSIJV-KRWDZBQOSA-N 1 0 300.333 3.901 20 5 DHBDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620352 1028571528 /nfs/dbraw/zinc/57/15/28/1028571528.db2.gz OMNWWEQKONGCEY-UWVGGRQHSA-N 1 0 319.327 3.949 20 5 DHBDRO C[C@@H](Nc1cc2c(c[nH+]1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627516 1028577382 /nfs/dbraw/zinc/57/73/82/1028577382.db2.gz CIHWINLWHFBPSO-LLVKDONJSA-N 1 0 312.373 3.624 20 5 DHBDRO CS[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449447380 1028652465 /nfs/dbraw/zinc/65/24/65/1028652465.db2.gz YKIOHUKDPWXFPJ-HNNXBMFYSA-N 1 0 318.398 3.792 20 5 DHBDRO CO[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000449499310 1028713219 /nfs/dbraw/zinc/71/32/19/1028713219.db2.gz LSXYFOSUFVJAKU-IDKBZEPQSA-N 1 0 318.417 3.745 20 5 DHBDRO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000449498905 1028715137 /nfs/dbraw/zinc/71/51/37/1028715137.db2.gz LKGWUYYGIUIHBI-VYDXJSESSA-N 1 0 318.417 3.589 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000371681876 1028743263 /nfs/dbraw/zinc/74/32/63/1028743263.db2.gz UJDNRNUTTQJMRC-RCFWFJCLSA-N 1 0 323.396 3.568 20 5 DHBDRO O=[N+]([O-])c1ccc(CNc2cc3c(c[nH+]2)CCC3)cc1Cl ZINC000816661006 1028981231 /nfs/dbraw/zinc/98/12/31/1028981231.db2.gz YBLGJULMJNSIGK-UHFFFAOYSA-N 1 0 303.749 3.744 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1(C2CC2)CCOCC1 ZINC000373320706 1029008979 /nfs/dbraw/zinc/00/89/79/1029008979.db2.gz VTRCZLRLKJEMHF-CYBMUJFWSA-N 1 0 304.390 3.513 20 5 DHBDRO Cc1ccc([C@@H](C)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000373519026 1029068786 /nfs/dbraw/zinc/06/87/86/1029068786.db2.gz DUVNTNKLZRZOSL-ODIFPOPNSA-N 1 0 317.433 3.571 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000568468269 1029074428 /nfs/dbraw/zinc/07/44/28/1029074428.db2.gz LTFLNZRXWAOHOW-ZBFHGGJFSA-N 1 0 311.385 3.849 20 5 DHBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000568904964 1029142948 /nfs/dbraw/zinc/14/29/48/1029142948.db2.gz PHSLZTQMJRGQCE-UHFFFAOYSA-N 1 0 318.421 3.591 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000568979688 1029155676 /nfs/dbraw/zinc/15/56/76/1029155676.db2.gz RLKJGUOSXJCHCR-INIZCTEOSA-N 1 0 314.360 3.766 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCC2CC2)CC1 ZINC000374119977 1029213984 /nfs/dbraw/zinc/21/39/84/1029213984.db2.gz JCBFWDWOHFLFAK-CYBMUJFWSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@@H](Cc1ccsc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000570551391 1029384258 /nfs/dbraw/zinc/38/42/58/1029384258.db2.gz AHNFAOYZCGNEKB-ZDUSSCGKSA-N 1 0 304.415 3.762 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccccn3)CC2)cc1F ZINC000374870213 1029482323 /nfs/dbraw/zinc/48/23/23/1029482323.db2.gz XIEHLUDNQVQBSS-UHFFFAOYSA-N 1 0 315.348 3.509 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CCC(C)(C)C ZINC000530425058 1029843161 /nfs/dbraw/zinc/84/31/61/1029843161.db2.gz ZNRNXNZTPDWIPH-ZIAGYGMSSA-N 1 0 308.422 3.741 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCSC1 ZINC000530529265 1029881993 /nfs/dbraw/zinc/88/19/93/1029881993.db2.gz NIYRYULRMFWRSC-NWDGAFQWSA-N 1 0 312.460 3.561 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC[C@@H]3CCCCO3)C2)cc1 ZINC000451543121 1029908121 /nfs/dbraw/zinc/90/81/21/1029908121.db2.gz AWXCCVSRQMNJQW-WMZOPIPTSA-N 1 0 318.417 3.733 20 5 DHBDRO C[C@H]1c2ccccc2CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000530663118 1029952386 /nfs/dbraw/zinc/95/23/86/1029952386.db2.gz KGDWJUVSIHUDJO-AWEZNQCLSA-N 1 0 312.369 3.593 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cs1 ZINC000357349150 1030010735 /nfs/dbraw/zinc/01/07/35/1030010735.db2.gz CFBHJBJUAQLGDI-ZBFHGGJFSA-N 1 0 318.398 3.524 20 5 DHBDRO Cc1ccc(C[NH2+]CCSCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000865788554 1030028828 /nfs/dbraw/zinc/02/88/28/1030028828.db2.gz AHCLHZJXZUFQGL-UHFFFAOYSA-N 1 0 322.352 3.678 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000865832877 1030049025 /nfs/dbraw/zinc/04/90/25/1030049025.db2.gz ZUWSBEXNWCGILF-CHWSQXEVSA-N 1 0 314.307 3.890 20 5 DHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000530952923 1030093555 /nfs/dbraw/zinc/09/35/55/1030093555.db2.gz ACUZVRDGWVXWRY-WMZOPIPTSA-N 1 0 319.449 3.585 20 5 DHBDRO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000822827650 1030138066 /nfs/dbraw/zinc/13/80/66/1030138066.db2.gz RVHBIBDCHGQMDW-UWVGGRQHSA-N 1 0 303.189 3.829 20 5 DHBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000866365378 1030258480 /nfs/dbraw/zinc/25/84/80/1030258480.db2.gz VWRFXVCQSPAIBB-SGTLLEGYSA-N 1 0 312.369 3.942 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC(F)F ZINC000866380922 1030268422 /nfs/dbraw/zinc/26/84/22/1030268422.db2.gz MRBQYBRPCLWXIF-UWVGGRQHSA-N 1 0 304.312 3.546 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCSC1)CCC2 ZINC000866402780 1030280212 /nfs/dbraw/zinc/28/02/12/1030280212.db2.gz LWNTYFSFDRSKIF-LRDDRELGSA-N 1 0 306.431 3.705 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866528646 1030346692 /nfs/dbraw/zinc/34/66/92/1030346692.db2.gz HIKYEUAPUOFFME-HUUCEWRRSA-N 1 0 318.417 3.761 20 5 DHBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000866539155 1030358881 /nfs/dbraw/zinc/35/88/81/1030358881.db2.gz HMEFKQXFCVHDOD-KRWDZBQOSA-N 1 0 312.369 3.689 20 5 DHBDRO COc1ccsc1[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866539991 1030361111 /nfs/dbraw/zinc/36/11/11/1030361111.db2.gz IWAFRBOSLWVXHH-NSHDSACASA-N 1 0 306.387 3.824 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)C(C)(F)F ZINC000866547497 1030364163 /nfs/dbraw/zinc/36/41/63/1030364163.db2.gz XEYJGHVFDMCRAD-SNVBAGLBSA-N 1 0 316.348 3.935 20 5 DHBDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925468022 1030369416 /nfs/dbraw/zinc/36/94/16/1030369416.db2.gz YBRHUBTUARFRNY-ROUUACIJSA-N 1 0 320.433 3.568 20 5 DHBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000805840048 1030400185 /nfs/dbraw/zinc/40/01/85/1030400185.db2.gz WIRFSFKJFBBARA-UKPHBRMFSA-N 1 0 320.433 3.775 20 5 DHBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843435279 1030561525 /nfs/dbraw/zinc/56/15/25/1030561525.db2.gz RVGYHYNUZAMFEI-HQJQHLMTSA-N 1 0 321.229 3.885 20 5 DHBDRO CO[C@H](C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000558418735 1030568324 /nfs/dbraw/zinc/56/83/24/1030568324.db2.gz ZTZXUEMVKXHNFN-GFCCVEGCSA-N 1 0 320.414 3.790 20 5 DHBDRO CCC[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000824543762 1030588092 /nfs/dbraw/zinc/58/80/92/1030588092.db2.gz NOZOYBLUNJVJMC-LLVKDONJSA-N 1 0 321.204 3.806 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000824774164 1030632866 /nfs/dbraw/zinc/63/28/66/1030632866.db2.gz RCTJCEMRLQFDHK-GFCCVEGCSA-N 1 0 303.189 3.577 20 5 DHBDRO C[C@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824766174 1030627410 /nfs/dbraw/zinc/62/74/10/1030627410.db2.gz SKXPGSWHWXGOOC-RYWCDNDXSA-N 1 0 315.200 3.782 20 5 DHBDRO CC[C@](C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000824743956 1030634985 /nfs/dbraw/zinc/63/49/85/1030634985.db2.gz SRLRDMGMDCHUKE-CYBMUJFWSA-N 1 0 321.204 3.806 20 5 DHBDRO C[C@@]1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824964042 1030670784 /nfs/dbraw/zinc/67/07/84/1030670784.db2.gz IEXGPQDPTMEVHH-GFCCVEGCSA-N 1 0 303.189 3.658 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)cccc1[N+](=O)[O-] ZINC000926268595 1030681341 /nfs/dbraw/zinc/68/13/41/1030681341.db2.gz HWANSGUNRBQLFH-ZDUSSCGKSA-N 1 0 314.389 3.676 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)C1(Br)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926894362 1030972975 /nfs/dbraw/zinc/97/29/75/1030972975.db2.gz YINLQSCZNGOTFR-ZJUUUORDSA-N 1 0 313.195 3.561 20 5 DHBDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000359558458 1031027273 /nfs/dbraw/zinc/02/72/73/1031027273.db2.gz OJTVDFYGBXGOOS-PXAZEXFGSA-N 1 0 315.373 3.748 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000927018167 1031034746 /nfs/dbraw/zinc/03/47/46/1031034746.db2.gz OLNODZDUSMEZLS-CZUORRHYSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000927030307 1031039878 /nfs/dbraw/zinc/03/98/78/1031039878.db2.gz HQMDDEDQTMRJAT-UMVBOHGHSA-N 1 0 308.447 3.790 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCc2cccnc21 ZINC000927061224 1031057913 /nfs/dbraw/zinc/05/79/13/1031057913.db2.gz CWBXDZZDCSSBEK-HZPDHXFCSA-N 1 0 309.369 3.644 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000927065296 1031061614 /nfs/dbraw/zinc/06/16/14/1031061614.db2.gz GYAKIJHCNWZIJL-GUYCJALGSA-N 1 0 316.405 3.685 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000927069561 1031069820 /nfs/dbraw/zinc/06/98/20/1031069820.db2.gz WWWIVPANBVEALJ-CXAGYDPISA-N 1 0 316.405 3.685 20 5 DHBDRO CC[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927070188 1031070602 /nfs/dbraw/zinc/07/06/02/1031070602.db2.gz POVITZUBODYVRW-RYQLBKOJSA-N 1 0 318.417 3.841 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000927070187 1031071489 /nfs/dbraw/zinc/07/14/89/1031071489.db2.gz POVITZUBODYVRW-NJAFHUGGSA-N 1 0 318.417 3.841 20 5 DHBDRO CC(C)[N@H+](CCC1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000292777029 1031169847 /nfs/dbraw/zinc/16/98/47/1031169847.db2.gz YVLUDWJOPZKVKN-UHFFFAOYSA-N 1 0 306.406 3.622 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccccn1 ZINC000872016113 1031398360 /nfs/dbraw/zinc/39/83/60/1031398360.db2.gz FBHBDSRIJKHHFT-LBPRGKRZSA-N 1 0 317.414 3.605 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037720 1031421228 /nfs/dbraw/zinc/42/12/28/1031421228.db2.gz FNZGXYRMUHSJMK-QMMBQJITSA-N 1 0 322.380 3.588 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000872043240 1031428406 /nfs/dbraw/zinc/42/84/06/1031428406.db2.gz HSAWHZXCJDTBBA-JHJVBQTASA-N 1 0 324.446 3.518 20 5 DHBDRO COCCC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872042301 1031428950 /nfs/dbraw/zinc/42/89/50/1031428950.db2.gz ASBUIBIAIBBQNC-LBPRGKRZSA-N 1 0 310.369 3.591 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cscn1 ZINC000872044514 1031431606 /nfs/dbraw/zinc/43/16/06/1031431606.db2.gz VFAHSVYSOVTHGT-SNVBAGLBSA-N 1 0 323.443 3.667 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000872050490 1031437822 /nfs/dbraw/zinc/43/78/22/1031437822.db2.gz BBOLJDBCLRTCTN-NEPJUHHUSA-N 1 0 324.446 3.925 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(SC)CC1 ZINC000872067696 1031463060 /nfs/dbraw/zinc/46/30/60/1031463060.db2.gz RXFRBJMCEMJTHI-JTQLQIEISA-N 1 0 312.460 3.863 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075107 1031472079 /nfs/dbraw/zinc/47/20/79/1031472079.db2.gz OHQWCBWJUUXUQX-GFCCVEGCSA-N 1 0 317.364 3.757 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000872078081 1031473910 /nfs/dbraw/zinc/47/39/10/1031473910.db2.gz OZEYFOJPTUOVTP-QWHCGFSZSA-N 1 0 324.446 3.784 20 5 DHBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CCO1 ZINC000872080794 1031477155 /nfs/dbraw/zinc/47/71/55/1031477155.db2.gz SHNYOVUZQCCVKZ-MBNYWOFBSA-N 1 0 324.446 3.925 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000872087271 1031483833 /nfs/dbraw/zinc/48/38/33/1031483833.db2.gz HUVIOMNXLKEVOY-STQMWFEESA-N 1 0 324.446 3.784 20 5 DHBDRO CC(C)OC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872117069 1031510922 /nfs/dbraw/zinc/51/09/22/1031510922.db2.gz YKEYMPQIWQNZIK-LBPRGKRZSA-N 1 0 310.369 3.732 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000872138679 1031533876 /nfs/dbraw/zinc/53/38/76/1031533876.db2.gz XVTJYVFAYNPQOM-KKXDTOCCSA-N 1 0 314.385 3.758 20 5 DHBDRO COCc1cccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873013418 1031692909 /nfs/dbraw/zinc/69/29/09/1031692909.db2.gz CBTHVDUWBWDFGK-UHFFFAOYSA-N 1 0 314.385 3.648 20 5 DHBDRO Cc1c(C[NH2+]C2CCC(OC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873096720 1031708801 /nfs/dbraw/zinc/70/88/01/1031708801.db2.gz WHJIVBFBVIDXAX-UHFFFAOYSA-N 1 0 306.406 3.729 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943284 1031711926 /nfs/dbraw/zinc/71/19/26/1031711926.db2.gz YTNCNTCLVMQOSO-QFYYESIMSA-N 1 0 315.348 3.654 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCOc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC000873111707 1031712164 /nfs/dbraw/zinc/71/21/64/1031712164.db2.gz GCHNMWLFRINQCZ-OAHLLOKOSA-N 1 0 316.332 3.656 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[C@H]1CCCCO1 ZINC000873106978 1031712351 /nfs/dbraw/zinc/71/23/51/1031712351.db2.gz LFVRTDOZBKFQRQ-OAHLLOKOSA-N 1 0 306.406 3.651 20 5 DHBDRO Cc1c(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)cccc1[N+](=O)[O-] ZINC000873150827 1031728278 /nfs/dbraw/zinc/72/82/78/1031728278.db2.gz QSLWTNWXDQQCHZ-KRWDZBQOSA-N 1 0 318.417 3.732 20 5 DHBDRO CSCC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000385780636 1031755518 /nfs/dbraw/zinc/75/55/18/1031755518.db2.gz CDVDIPONKYPILB-UHFFFAOYSA-N 1 0 308.447 3.915 20 5 DHBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1coc(C(C)(C)C)n1 ZINC000930353107 1031790471 /nfs/dbraw/zinc/79/04/71/1031790471.db2.gz HOIHWGUWKAYWIZ-UHFFFAOYSA-N 1 0 317.389 3.555 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897748739 1031811542 /nfs/dbraw/zinc/81/15/42/1031811542.db2.gz CMTKWKRFVRSQSP-CROKQJRXSA-N 1 0 304.415 3.624 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897749224 1031813633 /nfs/dbraw/zinc/81/36/33/1031813633.db2.gz ZEUHZOLYWSTUOP-OHRKKDJYSA-N 1 0 320.458 3.932 20 5 DHBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(F)Cl ZINC000846040520 1031835260 /nfs/dbraw/zinc/83/52/60/1031835260.db2.gz UZQHQMQTJDHHJT-STQMWFEESA-N 1 0 304.724 3.528 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@](C)(O)c1ccccc1 ZINC000846187712 1031922262 /nfs/dbraw/zinc/92/22/62/1031922262.db2.gz KVNOHUMTYDHJAH-PMUMKWKESA-N 1 0 314.385 3.542 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc(-n2ccnc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000361480845 1031944755 /nfs/dbraw/zinc/94/47/55/1031944755.db2.gz GYZIMAUJMJVFON-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO COc1cc(C[N@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])cc1F ZINC000361588964 1032001444 /nfs/dbraw/zinc/00/14/44/1032001444.db2.gz ZWVZOQZCAUELKZ-UHFFFAOYSA-N 1 0 308.353 3.507 20 5 DHBDRO C[C@@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(C)(C)C ZINC000877463425 1033307916 /nfs/dbraw/zinc/30/79/16/1033307916.db2.gz DAOINIIKBVAHGQ-HSBZDZAISA-N 1 0 308.426 3.547 20 5 DHBDRO Cc1ccc([C@@H](C)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000477911551 1033362757 /nfs/dbraw/zinc/36/27/57/1033362757.db2.gz IGXUAOMOBLROGP-OAHLLOKOSA-N 1 0 319.449 3.676 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccsc1)CC2 ZINC001172897309 1033434511 /nfs/dbraw/zinc/43/45/11/1033434511.db2.gz YVJFZDMRJOUWSW-OAHLLOKOSA-N 1 0 302.399 3.694 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000927069562 1033514590 /nfs/dbraw/zinc/51/45/90/1033514590.db2.gz WWWIVPANBVEALJ-DYVFJYSZSA-N 1 0 316.405 3.685 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000152988849 1033553528 /nfs/dbraw/zinc/55/35/28/1033553528.db2.gz NLUBIEFVFGWDFZ-CYBMUJFWSA-N 1 0 315.373 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)c1F ZINC001173177355 1033580585 /nfs/dbraw/zinc/58/05/85/1033580585.db2.gz TUUYFCSNCWEHDI-AGIUHOORSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)CC(C)C)c1F ZINC001173175437 1033580840 /nfs/dbraw/zinc/58/08/40/1033580840.db2.gz CGCCKHGJVIKTLD-NEPJUHHUSA-N 1 0 312.385 3.698 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC3(CC3)CC2)c1F ZINC001173178895 1033581078 /nfs/dbraw/zinc/58/10/78/1033581078.db2.gz BWUVNCWOFYYTCK-LBPRGKRZSA-N 1 0 322.380 3.550 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)c1F ZINC001173177361 1033581610 /nfs/dbraw/zinc/58/16/10/1033581610.db2.gz TUUYFCSNCWEHDI-RWMBFGLXSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c1F ZINC001173175911 1033581721 /nfs/dbraw/zinc/58/17/21/1033581721.db2.gz UXUMZFTWWQOZGA-DYEKYZERSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c1F ZINC001173185032 1033583824 /nfs/dbraw/zinc/58/38/24/1033583824.db2.gz UXUMZFTWWQOZGA-YRGRVCCFSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)C2CCCC2)c1F ZINC001173190613 1033585019 /nfs/dbraw/zinc/58/50/19/1033585019.db2.gz ZRIAAEDLQNNRLN-NEPJUHHUSA-N 1 0 324.396 3.842 20 5 DHBDRO CCc1ccc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173215093 1033595574 /nfs/dbraw/zinc/59/55/74/1033595574.db2.gz RVCNICFVSLIJMY-OAHLLOKOSA-N 1 0 312.413 3.921 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001173217599 1033598187 /nfs/dbraw/zinc/59/81/87/1033598187.db2.gz WXTJEIMWNWKSLT-NSHDSACASA-N 1 0 306.312 3.594 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(c2ccccc2)CC1 ZINC001173219678 1033600524 /nfs/dbraw/zinc/60/05/24/1033600524.db2.gz PJHBHJLRHHVTEF-OAHLLOKOSA-N 1 0 310.397 3.847 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2cccnc21 ZINC001173219150 1033600669 /nfs/dbraw/zinc/60/06/69/1033600669.db2.gz XOWBKVKWJVUKCX-GUYCJALGSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c(CC[NH3+])cc2ccccc21 ZINC001173220316 1033600887 /nfs/dbraw/zinc/60/08/87/1033600887.db2.gz YCGKSISSDXVJHE-CQSZACIVSA-N 1 0 323.396 3.854 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001173218587 1033600903 /nfs/dbraw/zinc/60/09/03/1033600903.db2.gz KUADYRICLKLFNC-NXOUGTEYSA-N 1 0 314.360 3.811 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001173223409 1033602034 /nfs/dbraw/zinc/60/20/34/1033602034.db2.gz IPMDOMAVVJDLSS-DOTOQJQBSA-N 1 0 324.424 3.921 20 5 DHBDRO CC(C)c1ncc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001173221650 1033603467 /nfs/dbraw/zinc/60/34/67/1033603467.db2.gz OJMKLCTWYKVQAR-LBPRGKRZSA-N 1 0 319.430 3.896 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C)Cc2ccccc2C1 ZINC001173221516 1033603519 /nfs/dbraw/zinc/60/35/19/1033603519.db2.gz NPKCKFZPDYHPTO-AWEZNQCLSA-N 1 0 310.397 3.673 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc(F)c1F ZINC001173230229 1033605656 /nfs/dbraw/zinc/60/56/56/1033605656.db2.gz CZYFXCGWEDAGKA-GFCCVEGCSA-N 1 0 320.339 3.936 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001173227572 1033606347 /nfs/dbraw/zinc/60/63/47/1033606347.db2.gz QXLYWFYMOKJRTA-KDOFPFPSSA-N 1 0 311.385 3.758 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001173233247 1033607844 /nfs/dbraw/zinc/60/78/44/1033607844.db2.gz HRQIKUQUJJRHPT-FZKQIMNGSA-N 1 0 311.385 3.662 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 ZINC001173233171 1033608349 /nfs/dbraw/zinc/60/83/49/1033608349.db2.gz HJDFSOWGXDTKHD-KBPBESRZSA-N 1 0 314.385 3.625 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(ccn2C)c1 ZINC001173210785 1033613526 /nfs/dbraw/zinc/61/35/26/1033613526.db2.gz NFQUWFIEKYVOBV-AWEZNQCLSA-N 1 0 323.396 3.807 20 5 DHBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173214568 1033613903 /nfs/dbraw/zinc/61/39/03/1033613903.db2.gz PFYZVTVAVLNFOQ-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC001173214784 1033616743 /nfs/dbraw/zinc/61/67/43/1033616743.db2.gz QCVJGQGUOPSBOS-OLZOCXBDSA-N 1 0 300.358 3.582 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000879998809 1034172902 /nfs/dbraw/zinc/17/29/02/1034172902.db2.gz ASFFLFUNFADKJX-MFKMUULPSA-N 1 0 302.296 3.930 20 5 DHBDRO Cc1c([C@H](C)NC2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000177836311 1034185428 /nfs/dbraw/zinc/18/54/28/1034185428.db2.gz ZPXGWXBJHIOIJX-HNNXBMFYSA-N 1 0 319.449 3.674 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000880317511 1034293355 /nfs/dbraw/zinc/29/33/55/1034293355.db2.gz OXRDTILVFRNLEC-JTQLQIEISA-N 1 0 323.805 3.694 20 5 DHBDRO Cc1nn(C)cc1Nc1ccc2cc3ccc(N)cc3[nH+]c2c1 ZINC001174337095 1034297190 /nfs/dbraw/zinc/29/71/90/1034297190.db2.gz NPDUYPVOWGGVAE-UHFFFAOYSA-N 1 0 303.369 3.756 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)cccc1[N+](=O)[O-] ZINC000480543824 1034309012 /nfs/dbraw/zinc/30/90/12/1034309012.db2.gz XQFRRUUAMXATSA-HUUCEWRRSA-N 1 0 307.438 3.530 20 5 DHBDRO Cc1c(C[NH2+][C@H](CCCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000179749946 1034334141 /nfs/dbraw/zinc/33/41/41/1034334141.db2.gz HFWXJLUWOQQLBH-QGZVFWFLSA-N 1 0 314.385 3.507 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880466347 1034337995 /nfs/dbraw/zinc/33/79/95/1034337995.db2.gz MYPJJXYWAMUMJY-RISCZKNCSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880515566 1034348463 /nfs/dbraw/zinc/34/84/63/1034348463.db2.gz OOPBOHKZLYSEDO-XYPHTWIQSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000480619839 1034354852 /nfs/dbraw/zinc/35/48/52/1034354852.db2.gz BHYAQNAHDNOUKT-IMJJTQAJSA-N 1 0 319.449 3.674 20 5 DHBDRO C[N@H+](CCCCC1CCOCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000554846060 1034363667 /nfs/dbraw/zinc/36/36/67/1034363667.db2.gz JHKVGOKEILPHHZ-UHFFFAOYSA-N 1 0 320.433 3.666 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cs1 ZINC000880575260 1034367048 /nfs/dbraw/zinc/36/70/48/1034367048.db2.gz WSPSSMINKSZTOI-HNNXBMFYSA-N 1 0 324.446 3.685 20 5 DHBDRO CC[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000927159703 1034371248 /nfs/dbraw/zinc/37/12/48/1034371248.db2.gz HRXTVZDYVRVRON-JKSUJKDBSA-N 1 0 304.390 3.737 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184297597 1034462891 /nfs/dbraw/zinc/46/28/91/1034462891.db2.gz SLBRSCGUCGWPGR-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO CCS[C@@H]1CCCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000480852618 1034474914 /nfs/dbraw/zinc/47/49/14/1034474914.db2.gz CQVLXMQNIUKRTF-MRXNPFEDSA-N 1 0 308.447 3.745 20 5 DHBDRO CCS[C@@H]1CCCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000480944110 1034517432 /nfs/dbraw/zinc/51/74/32/1034517432.db2.gz YKNWTCKWHBTKTM-CQSZACIVSA-N 1 0 324.446 3.581 20 5 DHBDRO CCS[C@H]1CCCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000481017635 1034553704 /nfs/dbraw/zinc/55/37/04/1034553704.db2.gz RGSCUWYZOKERGD-INIZCTEOSA-N 1 0 324.446 3.581 20 5 DHBDRO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)ccc1F ZINC000555339757 1034630508 /nfs/dbraw/zinc/63/05/08/1034630508.db2.gz HSZDGPYYBHZNQV-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO CCOc1cc(F)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000865418382 1034635883 /nfs/dbraw/zinc/63/58/83/1034635883.db2.gz JITJLWSWFZPJOP-GFCCVEGCSA-N 1 0 318.348 3.983 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000186566739 1034643687 /nfs/dbraw/zinc/64/36/87/1034643687.db2.gz CWARUINDMMBQEE-JQWIXIFHSA-N 1 0 305.403 3.814 20 5 DHBDRO COc1ccc(F)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000187588600 1034717596 /nfs/dbraw/zinc/71/75/96/1034717596.db2.gz XNADRSPYZRMUCU-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO COCCC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000600190044 1034795662 /nfs/dbraw/zinc/79/56/62/1034795662.db2.gz ROOWJGORCPSGFT-NTCAYCPXSA-N 1 0 318.417 3.747 20 5 DHBDRO COc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192610122 1034810853 /nfs/dbraw/zinc/81/08/53/1034810853.db2.gz PYLVSISPRHVZMU-GOSISDBHSA-N 1 0 312.369 3.771 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000600209165 1034816827 /nfs/dbraw/zinc/81/68/27/1034816827.db2.gz XVBKQCQJTLWANJ-GXDHUFHOSA-N 1 0 324.380 3.762 20 5 DHBDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600214516 1034817504 /nfs/dbraw/zinc/81/75/04/1034817504.db2.gz RTKXEGGSPVFHKA-MRXNPFEDSA-N 1 0 312.369 3.598 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCNc3ccccc32)cc1 ZINC000192827585 1034819779 /nfs/dbraw/zinc/81/97/79/1034819779.db2.gz UQNQEZLQMZHSBH-GOSISDBHSA-N 1 0 311.385 3.674 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000193049475 1034829252 /nfs/dbraw/zinc/82/92/52/1034829252.db2.gz MJQMJMKSCHXVHL-BBRMVZONSA-N 1 0 304.390 3.519 20 5 DHBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000193278329 1034839858 /nfs/dbraw/zinc/83/98/58/1034839858.db2.gz JGENDRYGVKHKBR-MRXNPFEDSA-N 1 0 320.776 3.726 20 5 DHBDRO COCCC(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193287363 1034840148 /nfs/dbraw/zinc/84/01/48/1034840148.db2.gz BQUKOUNEQTULTO-INIZCTEOSA-N 1 0 306.406 3.625 20 5 DHBDRO COc1ccc(C[NH2+]C[C@H](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000482198951 1035066627 /nfs/dbraw/zinc/06/66/27/1035066627.db2.gz MKUVGOBQWTWDQB-CQSZACIVSA-N 1 0 314.385 3.572 20 5 DHBDRO CC(C)[N@H+](CCc1nccs1)CCc1ccc([N+](=O)[O-])cc1 ZINC000159744157 1035085168 /nfs/dbraw/zinc/08/51/68/1035085168.db2.gz BQLQRVVTIWAVSC-UHFFFAOYSA-N 1 0 319.430 3.547 20 5 DHBDRO C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC001175984643 1035174415 /nfs/dbraw/zinc/17/44/15/1035174415.db2.gz WTNJTRNCSBPBFW-NSHDSACASA-N 1 0 309.366 3.617 20 5 DHBDRO CC(C)Oc1ccc(COCCC[N+](C)(C)C)cc1Cl ZINC001224621222 1035180776 /nfs/dbraw/zinc/18/07/76/1035180776.db2.gz NXAQYSVEZGCFHM-UHFFFAOYSA-N 1 0 300.850 3.740 20 5 DHBDRO C[C@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC001176037416 1035188782 /nfs/dbraw/zinc/18/87/82/1035188782.db2.gz TWBUTPKVOPNTSY-LBPRGKRZSA-N 1 0 323.352 3.699 20 5 DHBDRO COc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000237534408 1035195691 /nfs/dbraw/zinc/19/56/91/1035195691.db2.gz WJCGMNHJZYMTSC-UHFFFAOYSA-N 1 0 316.401 3.662 20 5 DHBDRO CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482941707 1035202477 /nfs/dbraw/zinc/20/24/77/1035202477.db2.gz AKGVETSGRMDNTD-HZPDHXFCSA-N 1 0 319.449 3.818 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483115569 1035228679 /nfs/dbraw/zinc/22/86/79/1035228679.db2.gz YMMNMHAYUIIOIS-CYBMUJFWSA-N 1 0 318.323 3.863 20 5 DHBDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000483242731 1035243610 /nfs/dbraw/zinc/24/36/10/1035243610.db2.gz CFWRHEAMLCUVPJ-LBPRGKRZSA-N 1 0 316.405 3.729 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C2CC3(C2)COC(C)(C)C3)cccc1[N+](=O)[O-] ZINC000903322193 1035298657 /nfs/dbraw/zinc/29/86/57/1035298657.db2.gz ASVMTSSXOCZTDR-WRSVWVKZSA-N 1 0 318.417 3.902 20 5 DHBDRO CCCCC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001177081788 1035345714 /nfs/dbraw/zinc/34/57/14/1035345714.db2.gz OYQVRSAVFITPBO-UHFFFAOYSA-N 1 0 301.184 3.637 20 5 DHBDRO CC(C)c1ccc(CNCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC001177231210 1035358359 /nfs/dbraw/zinc/35/83/59/1035358359.db2.gz GDAFCMBQLGZGHU-UHFFFAOYSA-N 1 0 307.438 3.538 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092466 1035443234 /nfs/dbraw/zinc/44/32/34/1035443234.db2.gz CNTGXJAXOAILLD-UHFFFAOYSA-N 1 0 302.296 3.806 20 5 DHBDRO Cc1ccc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001179385567 1035476686 /nfs/dbraw/zinc/47/66/86/1035476686.db2.gz BIFIMXOXMPXWSO-NSCUHMNNSA-N 1 0 318.323 3.984 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC001179699522 1035490985 /nfs/dbraw/zinc/49/09/85/1035490985.db2.gz AHLHETOTXDUWRP-HNNXBMFYSA-N 1 0 318.417 3.793 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037141579 1035610409 /nfs/dbraw/zinc/61/04/09/1035610409.db2.gz ZUYUHQOHFYFGDT-VXGBXAGGSA-N 1 0 302.296 3.806 20 5 DHBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1C ZINC001193413517 1035632089 /nfs/dbraw/zinc/63/20/89/1035632089.db2.gz OBXDTOQRCIHZPM-YOEHRIQHSA-N 1 0 306.406 3.874 20 5 DHBDRO C[C@@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1cccc([N+](=O)[O-])c1 ZINC000442774733 1035673967 /nfs/dbraw/zinc/67/39/67/1035673967.db2.gz DHKYXIZXJLLQHR-TZMCWYRMSA-N 1 0 321.380 3.894 20 5 DHBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001193648213 1035692532 /nfs/dbraw/zinc/69/25/32/1035692532.db2.gz DTQFDNOAMDVFAH-LSDHHAIUSA-N 1 0 306.406 3.922 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)CCC2 ZINC001193742390 1035714018 /nfs/dbraw/zinc/71/40/18/1035714018.db2.gz BKJXHDACSYUNFL-UHFFFAOYSA-N 1 0 310.397 3.758 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC001180688586 1035745526 /nfs/dbraw/zinc/74/55/26/1035745526.db2.gz YVZMUYCUQVTGBA-VIFPVBQESA-N 1 0 311.794 3.598 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494704451 1035770265 /nfs/dbraw/zinc/77/02/65/1035770265.db2.gz SEGYXWUZEQTRMZ-WMLDXEAASA-N 1 0 318.417 3.855 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494705579 1035771251 /nfs/dbraw/zinc/77/12/51/1035771251.db2.gz XKWCTTWERMYXRU-SUMWQHHRSA-N 1 0 304.390 3.547 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000485710405 1035884856 /nfs/dbraw/zinc/88/48/56/1035884856.db2.gz RHVBWXFFOVSFKM-LBPRGKRZSA-N 1 0 318.348 3.936 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000485741572 1035929555 /nfs/dbraw/zinc/92/95/55/1035929555.db2.gz CQNHWZRLTZZNGI-NSHDSACASA-N 1 0 306.387 3.858 20 5 DHBDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001181574674 1035942724 /nfs/dbraw/zinc/94/27/24/1035942724.db2.gz BFJRHMGOYJDHOM-LBPRGKRZSA-N 1 0 302.296 3.892 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C)C2(CCCCC2)C1 ZINC001194477545 1035943566 /nfs/dbraw/zinc/94/35/66/1035943566.db2.gz MDVZRVLGAHAWGA-HNNXBMFYSA-N 1 0 317.433 3.606 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCOCC3CCC3)C2)cc1 ZINC001194476961 1035944016 /nfs/dbraw/zinc/94/40/16/1035944016.db2.gz GNBRZCXBYVVVBB-KRWDZBQOSA-N 1 0 318.417 3.591 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC000540139906 1035984059 /nfs/dbraw/zinc/98/40/59/1035984059.db2.gz HOBTUPLQFKNLHL-BBRMVZONSA-N 1 0 308.422 3.597 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000540192427 1036009990 /nfs/dbraw/zinc/00/99/90/1036009990.db2.gz LSPMWELYJQNOHC-AWEZNQCLSA-N 1 0 319.449 3.817 20 5 DHBDRO CC[NH+](CC)CCSCc1cc([N+](=O)[O-])ccc1Cl ZINC000088733664 1036184926 /nfs/dbraw/zinc/18/49/26/1036184926.db2.gz JWGFQOBPJDFPIB-UHFFFAOYSA-N 1 0 302.827 3.823 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccccc1O ZINC000541387333 1036318297 /nfs/dbraw/zinc/31/82/97/1036318297.db2.gz MBWYGERQTAMTPU-CYBMUJFWSA-N 1 0 300.358 3.536 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000541568491 1036365936 /nfs/dbraw/zinc/36/59/36/1036365936.db2.gz SUDGBJUNFHTARZ-TZMCWYRMSA-N 1 0 324.446 3.930 20 5 DHBDRO C[C@@H]([NH2+]C(C)(C)CNc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000609132438 1036385856 /nfs/dbraw/zinc/38/58/56/1036385856.db2.gz WGFWQLHSKYXAFV-CYBMUJFWSA-N 1 0 314.389 3.531 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271637193 1036429750 /nfs/dbraw/zinc/42/97/50/1036429750.db2.gz ZICYHRYYMBTONC-ZQIUZPCESA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCCCO1)CCC2 ZINC000193288195 1036481625 /nfs/dbraw/zinc/48/16/25/1036481625.db2.gz SLDULBASLSCBSW-FUHWJXTLSA-N 1 0 318.417 3.911 20 5 DHBDRO C[C@H]1c2ccccc2OCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000609145422 1036508606 /nfs/dbraw/zinc/50/86/06/1036508606.db2.gz BRNZMCFMEQKGGS-AWEZNQCLSA-N 1 0 312.369 3.593 20 5 DHBDRO C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000596144520 1036546768 /nfs/dbraw/zinc/54/67/68/1036546768.db2.gz GMIBBVQYXOIXSF-MWLCHTKSSA-N 1 0 317.311 3.508 20 5 DHBDRO C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001196606749 1036573207 /nfs/dbraw/zinc/57/32/07/1036573207.db2.gz WOEHUBWSFRODOM-XGACYXMMSA-N 1 0 304.390 3.782 20 5 DHBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000774625067 1036586477 /nfs/dbraw/zinc/58/64/77/1036586477.db2.gz OIEITSTXHLNXRQ-GUYCJALGSA-N 1 0 314.389 3.536 20 5 DHBDRO COc1ccccc1CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001197646646 1036824913 /nfs/dbraw/zinc/82/49/13/1036824913.db2.gz ILJDTOZPGYLZIF-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO CCOc1cc(C[N@H+](C)[C@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000492534854 1036910373 /nfs/dbraw/zinc/91/03/73/1036910373.db2.gz KQNLOTLUMCGVMP-GFCCVEGCSA-N 1 0 312.435 3.567 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCSC[C@@H]1C ZINC001198518330 1037057506 /nfs/dbraw/zinc/05/75/06/1037057506.db2.gz YFWVWUNNWIIZCN-ZDUSSCGKSA-N 1 0 324.446 3.709 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000493108260 1037180113 /nfs/dbraw/zinc/18/01/13/1037180113.db2.gz VDSKHGMNOSNCCT-INIZCTEOSA-N 1 0 324.808 3.641 20 5 DHBDRO CSC[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000076769268 1037234191 /nfs/dbraw/zinc/23/41/91/1037234191.db2.gz PGOMRYRCZGQQGJ-JTQLQIEISA-N 1 0 323.443 3.559 20 5 DHBDRO CCN(CCC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1Cl ZINC001186144333 1037321248 /nfs/dbraw/zinc/32/12/48/1037321248.db2.gz JXRJYZVVVYACFS-UHFFFAOYSA-N 1 0 313.829 3.806 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)cc1Cl ZINC000761526510 1037349366 /nfs/dbraw/zinc/34/93/66/1037349366.db2.gz NXRBTNDHBIZLTJ-HOCLYGCPSA-N 1 0 316.788 3.969 20 5 DHBDRO CC[C@H](C)C[N@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000489353373 1037368100 /nfs/dbraw/zinc/36/81/00/1037368100.db2.gz GXLFBDGEEKHZCT-GXTWGEPZSA-N 1 0 321.421 3.598 20 5 DHBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC001186367491 1037374729 /nfs/dbraw/zinc/37/47/29/1037374729.db2.gz CLWYZVHKLCFVCP-CQSZACIVSA-N 1 0 311.813 3.781 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090774588 1037598124 /nfs/dbraw/zinc/59/81/24/1037598124.db2.gz WPCWVVPFGZYPFJ-NEPJUHHUSA-N 1 0 318.398 3.763 20 5 DHBDRO Cc1ccc(N2CCC(C)([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC001187533433 1037649956 /nfs/dbraw/zinc/64/99/56/1037649956.db2.gz IAMUWUPSMDBWCY-UHFFFAOYSA-N 1 0 317.433 3.748 20 5 DHBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301128002 1037671777 /nfs/dbraw/zinc/67/17/77/1037671777.db2.gz XMVLZSQIPHXUEI-UHFFFAOYSA-N 1 0 317.311 3.510 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CC2CC2)C2CCCCC2)c1 ZINC000153944389 1037738770 /nfs/dbraw/zinc/73/87/70/1037738770.db2.gz MWQAAMHAENDWEP-SFHVURJKSA-N 1 0 318.417 3.673 20 5 DHBDRO C[C@@H](CCc1ccccc1)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001201823131 1037912315 /nfs/dbraw/zinc/91/23/15/1037912315.db2.gz VAHDSGXFTLPYKE-INIZCTEOSA-N 1 0 312.413 3.996 20 5 DHBDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000571226499 1038113577 /nfs/dbraw/zinc/11/35/77/1038113577.db2.gz NCMAJAVGJABHPX-UHFFFAOYSA-N 1 0 308.422 3.570 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000572015841 1038318974 /nfs/dbraw/zinc/31/89/74/1038318974.db2.gz QIEYYSWYXVWAKY-CZUORRHYSA-N 1 0 316.401 3.521 20 5 DHBDRO C[C@@H](C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C ZINC000589210470 1038451847 /nfs/dbraw/zinc/45/18/47/1038451847.db2.gz FWMYUQXRHDXECI-LBPRGKRZSA-N 1 0 303.406 3.890 20 5 DHBDRO CCCC[C@@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000589310113 1038462648 /nfs/dbraw/zinc/46/26/48/1038462648.db2.gz LJLPPATWGAPZDO-CYBMUJFWSA-N 1 0 321.421 3.742 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCC13CCOCC3)C2 ZINC001191350304 1038488037 /nfs/dbraw/zinc/48/80/37/1038488037.db2.gz JKQOXWOOMQHUGH-INIZCTEOSA-N 1 0 316.401 3.507 20 5 DHBDRO CC(C)CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001191496477 1038509215 /nfs/dbraw/zinc/50/92/15/1038509215.db2.gz PUKRNYQLUVPIJY-UHFFFAOYSA-N 1 0 306.406 3.732 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC3(C2)CCCCCC3)cc1 ZINC001191549599 1038520524 /nfs/dbraw/zinc/52/05/24/1038520524.db2.gz FGIYIEPVBCTKGE-UHFFFAOYSA-N 1 0 318.417 3.563 20 5 DHBDRO CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001191560030 1038521155 /nfs/dbraw/zinc/52/11/55/1038521155.db2.gz VIXJJSZSIVRTPS-SNVBAGLBSA-N 1 0 313.195 3.589 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000590662308 1038686961 /nfs/dbraw/zinc/68/69/61/1038686961.db2.gz RBCYEECQUJUEAF-UHFFFAOYSA-N 1 0 314.332 3.543 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000775550224 1038704461 /nfs/dbraw/zinc/70/44/61/1038704461.db2.gz VYTHDEJSCZTCRU-ONGXEEELSA-N 1 0 303.189 3.748 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)CCCC2 ZINC000591347988 1038832212 /nfs/dbraw/zinc/83/22/12/1038832212.db2.gz PBUWKHQXQCZGEJ-JOQOYGCGSA-N 1 0 318.417 3.503 20 5 DHBDRO CCC([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)(C1CC1)C1CC1 ZINC000598987870 1038964524 /nfs/dbraw/zinc/96/45/24/1038964524.db2.gz MWSBZOIJHFARAZ-UHFFFAOYSA-N 1 0 304.390 3.662 20 5 DHBDRO COc1ccc(C[NH2+]C23CC(c4ccccc4)(C2)C3)cc1[N+](=O)[O-] ZINC000603431445 1038973433 /nfs/dbraw/zinc/97/34/33/1038973433.db2.gz XJZBBCOPSVSRAU-UHFFFAOYSA-N 1 0 324.380 3.567 20 5 DHBDRO CCC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599055979 1039017669 /nfs/dbraw/zinc/01/76/69/1039017669.db2.gz FVBOCOMDXHHTKP-WMLDXEAASA-N 1 0 306.406 3.842 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599074379 1039027894 /nfs/dbraw/zinc/02/78/94/1039027894.db2.gz RAXIEDOQRBZDOR-QZTJIDSGSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@@H](c1ccccc1F)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603894839 1039215280 /nfs/dbraw/zinc/21/52/80/1039215280.db2.gz ZBBLPTYLNVQKOQ-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000604013232 1039281939 /nfs/dbraw/zinc/28/19/39/1039281939.db2.gz URWZRMBDNFQVDE-MRXNPFEDSA-N 1 0 304.390 3.758 20 5 DHBDRO Cc1cccc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000604016361 1039285781 /nfs/dbraw/zinc/28/57/81/1039285781.db2.gz VNRUKPSAAPABKV-UHFFFAOYSA-N 1 0 314.385 3.804 20 5 DHBDRO CC(C)c1ccc(C[NH2+]Cc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000592372404 1039362028 /nfs/dbraw/zinc/36/20/28/1039362028.db2.gz VMUMPEJCKUKGHK-UHFFFAOYSA-N 1 0 314.385 3.500 20 5 DHBDRO C[N@H+](CCCNc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000058666368 1039456962 /nfs/dbraw/zinc/45/69/62/1039456962.db2.gz PETJRHTWIYKBTJ-UHFFFAOYSA-N 1 0 309.385 3.800 20 5 DHBDRO O=[N+]([O-])c1sccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000604433065 1039474222 /nfs/dbraw/zinc/47/42/22/1039474222.db2.gz DEHAXKZHJUDUQZ-HNNXBMFYSA-N 1 0 317.414 3.905 20 5 DHBDRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594489970 1039793978 /nfs/dbraw/zinc/79/39/78/1039793978.db2.gz IITRKPDVHWCYPI-MLGOLLRUSA-N 1 0 312.369 3.942 20 5 DHBDRO COCCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000594503355 1039802840 /nfs/dbraw/zinc/80/28/40/1039802840.db2.gz WFBAOVPMZKXZTR-INIZCTEOSA-N 1 0 318.417 3.769 20 5 DHBDRO CS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594508785 1039812489 /nfs/dbraw/zinc/81/24/89/1039812489.db2.gz WDZLFJFCWHWORS-IIAWOOMASA-N 1 0 306.431 3.846 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000594514702 1039820205 /nfs/dbraw/zinc/82/02/05/1039820205.db2.gz ZQOAUGOZZGINPY-VUCTXSBTSA-N 1 0 304.390 3.593 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000594515556 1039821682 /nfs/dbraw/zinc/82/16/82/1039821682.db2.gz UKXQQVLLIUZFDQ-AAEUAGOBSA-N 1 0 322.405 3.532 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@H]1CCCCO1 ZINC000594522494 1039827167 /nfs/dbraw/zinc/82/71/67/1039827167.db2.gz YSCNLPOEWUSJCO-UKPHBRMFSA-N 1 0 306.406 3.902 20 5 DHBDRO CSCC1(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000594963222 1039969069 /nfs/dbraw/zinc/96/90/69/1039969069.db2.gz KZJORBKFADGAHQ-XQRVVYSFSA-N 1 0 306.431 3.731 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3=CCCC3)cs2)c1 ZINC000594988744 1040003469 /nfs/dbraw/zinc/00/34/69/1040003469.db2.gz CZOWMQXSQUQSTI-UHFFFAOYSA-N 1 0 315.398 3.918 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cccs1 ZINC000595003091 1040013084 /nfs/dbraw/zinc/01/30/84/1040013084.db2.gz CXLLOBIKCZBEDJ-NSHDSACASA-N 1 0 306.387 3.558 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000595056916 1040022551 /nfs/dbraw/zinc/02/25/51/1040022551.db2.gz SOERNYVMZFOIKQ-WBVHZDCISA-N 1 0 306.406 3.841 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595056864 1040023305 /nfs/dbraw/zinc/02/33/05/1040023305.db2.gz RWNJGGCBOYGVDZ-ZBFHGGJFSA-N 1 0 305.422 3.508 20 5 DHBDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000595029278 1040037429 /nfs/dbraw/zinc/03/74/29/1040037429.db2.gz YHLFXDDQDLFSOW-QWHCGFSZSA-N 1 0 322.405 3.613 20 5 DHBDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000595029276 1040037594 /nfs/dbraw/zinc/03/75/94/1040037594.db2.gz YHLFXDDQDLFSOW-CHWSQXEVSA-N 1 0 322.405 3.613 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000595032662 1040038686 /nfs/dbraw/zinc/03/86/86/1040038686.db2.gz KMPMJXIZRKBTOV-BDAKNGLRSA-N 1 0 306.284 3.595 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000595031489 1040039669 /nfs/dbraw/zinc/03/96/69/1040039669.db2.gz HNDHXQGQIWHGST-MNOVXSKESA-N 1 0 321.402 3.514 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000595042215 1040043955 /nfs/dbraw/zinc/04/39/55/1040043955.db2.gz QUBJWYHCDOUQAS-MNOVXSKESA-N 1 0 314.332 3.689 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCCO1 ZINC000595046204 1040048982 /nfs/dbraw/zinc/04/89/82/1040048982.db2.gz JUNAUGIXZSUWEJ-KCXAZCMYSA-N 1 0 322.405 3.602 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1noc2ccccc12 ZINC000595049806 1040050283 /nfs/dbraw/zinc/05/02/83/1040050283.db2.gz OZCJHGXTLZKXDA-HNNXBMFYSA-N 1 0 323.352 3.556 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CCC(F)CC1 ZINC000595048043 1040050918 /nfs/dbraw/zinc/05/09/18/1040050918.db2.gz WJWZHBWJMUOXOA-HIFPTAJRSA-N 1 0 310.369 3.782 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000595051920 1040052731 /nfs/dbraw/zinc/05/27/31/1040052731.db2.gz XHWOETDNCKTBFA-BBRMVZONSA-N 1 0 304.390 3.519 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000595052523 1040055205 /nfs/dbraw/zinc/05/52/05/1040055205.db2.gz RLIVIOHNJNUSAZ-NXEZZACHSA-N 1 0 320.311 3.843 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000595076914 1040069847 /nfs/dbraw/zinc/06/98/47/1040069847.db2.gz NSSIESKLESOVRA-CYBMUJFWSA-N 1 0 324.421 3.849 20 5 DHBDRO C[C@]1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000595078859 1040071941 /nfs/dbraw/zinc/07/19/41/1040071941.db2.gz GLWUPQXNXWTGAJ-DZGCQCFKSA-N 1 0 310.344 3.952 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@]1(C)CC1(F)F ZINC000595079526 1040072496 /nfs/dbraw/zinc/07/24/96/1040072496.db2.gz FKGUSHSSMXVHRK-IUODEOHRSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCOC(C)(C)C ZINC000595078046 1040073605 /nfs/dbraw/zinc/07/36/05/1040073605.db2.gz XEQOEQJMTKZEOJ-AWEZNQCLSA-N 1 0 308.422 3.711 20 5 DHBDRO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000595081930 1040076304 /nfs/dbraw/zinc/07/63/04/1040076304.db2.gz UXUBSMLEVLTOEZ-IVMMDQJWSA-N 1 0 324.371 3.941 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ccc(O)cc31)CCC2 ZINC000595089270 1040076406 /nfs/dbraw/zinc/07/64/06/1040076406.db2.gz NBUPKCFQPFXZCD-OALUTQOASA-N 1 0 324.380 3.955 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCc1ccoc1 ZINC000595087617 1040076514 /nfs/dbraw/zinc/07/65/14/1040076514.db2.gz NGSKVFBEZPKAQQ-DOTOQJQBSA-N 1 0 314.385 3.731 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595329910 1040100581 /nfs/dbraw/zinc/10/05/81/1040100581.db2.gz DOVPNIQCTLYIRM-KGLIPLIRSA-N 1 0 312.410 3.840 20 5 DHBDRO Cc1noc(C[N@@H+]2CCCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000595457728 1040144981 /nfs/dbraw/zinc/14/49/81/1040144981.db2.gz ZXPSTZFULRMOEV-UHFFFAOYSA-N 1 0 307.394 3.828 20 5 DHBDRO CC[C@@H](CC(F)F)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595478127 1040150811 /nfs/dbraw/zinc/15/08/11/1040150811.db2.gz XRURMONNYSQFNX-LBPRGKRZSA-N 1 0 300.349 3.751 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595503143 1040155949 /nfs/dbraw/zinc/15/59/49/1040155949.db2.gz QRQYICPOQJHSQY-ZDUSSCGKSA-N 1 0 315.348 3.509 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CCCC3)CC2)s1 ZINC000063282597 1040171710 /nfs/dbraw/zinc/17/17/10/1040171710.db2.gz XSUGCAVPKHGDFJ-UHFFFAOYSA-N 1 0 309.435 3.723 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595787652 1040253284 /nfs/dbraw/zinc/25/32/84/1040253284.db2.gz FQSRPGYBVJXGIT-CXAGYDPISA-N 1 0 322.380 3.515 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595787655 1040253927 /nfs/dbraw/zinc/25/39/27/1040253927.db2.gz FQSRPGYBVJXGIT-SUMWQHHRSA-N 1 0 322.380 3.515 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(F)c1 ZINC000595786550 1040257069 /nfs/dbraw/zinc/25/70/69/1040257069.db2.gz BHMJGLKLXITJGW-RHSMWYFYSA-N 1 0 322.380 3.515 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595904465 1040273670 /nfs/dbraw/zinc/27/36/70/1040273670.db2.gz DELKUNBGLAIJPE-JCGIZDLHSA-N 1 0 316.401 3.548 20 5 DHBDRO COCC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000596056990 1040291627 /nfs/dbraw/zinc/29/16/27/1040291627.db2.gz DKFKOUMEFHJEGL-VQHVLOKHSA-N 1 0 304.390 3.547 20 5 DHBDRO C[NH+](C)C1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596278648 1040352065 /nfs/dbraw/zinc/35/20/65/1040352065.db2.gz RRGVUTIULDHIDH-UHFFFAOYSA-N 1 0 313.348 3.817 20 5 DHBDRO Cc1c(CN2CC(C)(C)[C@@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000596593697 1040505400 /nfs/dbraw/zinc/50/54/00/1040505400.db2.gz QZOHCWKOJFFKMD-KRWDZBQOSA-N 1 0 311.385 3.881 20 5 DHBDRO CCN(Cc1csc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(C)cc1 ZINC000174282091 1040604940 /nfs/dbraw/zinc/60/49/40/1040604940.db2.gz ZLMLUGJDDWUHNB-OAHLLOKOSA-N 1 0 320.414 3.520 20 5 DHBDRO Cc1ccc(CN(Cn2nc(C)c([N+](=O)[O-])c2C)C(C)C)s1 ZINC000064028073 1040644115 /nfs/dbraw/zinc/64/41/15/1040644115.db2.gz PCNVYEMUVWYRDG-UHFFFAOYSA-N 1 0 322.434 3.646 20 5 DHBDRO C[C@H](C[N@H+](C)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000608976597 1040656516 /nfs/dbraw/zinc/65/65/16/1040656516.db2.gz BULFQECIDYXZJR-OAHLLOKOSA-N 1 0 314.385 3.709 20 5 DHBDRO Cc1ccc([C@@H](CNc2ccsc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000064114127 1040670319 /nfs/dbraw/zinc/67/03/19/1040670319.db2.gz XQIHEAKCEGELBT-CQSZACIVSA-N 1 0 305.403 3.680 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000597224012 1040703731 /nfs/dbraw/zinc/70/37/31/1040703731.db2.gz ARRNSUAXFAXBFG-WMZOPIPTSA-N 1 0 318.417 3.684 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCc3ccccc3N2)cc1 ZINC000593318395 1040717648 /nfs/dbraw/zinc/71/76/48/1040717648.db2.gz ORFZTHKYWBQEDV-MRXNPFEDSA-N 1 0 311.385 3.501 20 5 DHBDRO CCC(CC)[C@@H](CNc1ccc(C(C)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000601683843 1040734557 /nfs/dbraw/zinc/73/45/57/1040734557.db2.gz ARARUKKSJGCPCF-QGZVFWFLSA-N 1 0 321.421 3.576 20 5 DHBDRO C[C@@H](Cc1cccs1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602509736 1041078008 /nfs/dbraw/zinc/07/80/08/1041078008.db2.gz JLTKJWHZKZZMEQ-JTQLQIEISA-N 1 0 317.370 3.518 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1 ZINC000602691834 1041154839 /nfs/dbraw/zinc/15/48/39/1041154839.db2.gz UCTMPLDWPFLNRE-LDYMZIIASA-N 1 0 320.336 3.597 20 5 DHBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602803762 1041226004 /nfs/dbraw/zinc/22/60/04/1041226004.db2.gz DJMIORPZPUZFRJ-INIZCTEOSA-N 1 0 316.405 3.514 20 5 DHBDRO Cc1ccccc1[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602807479 1041229124 /nfs/dbraw/zinc/22/91/24/1041229124.db2.gz UYHFJMAKKKZSOV-HNNXBMFYSA-N 1 0 316.405 3.514 20 5 DHBDRO CC(C)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236698344 201970578 /nfs/dbraw/zinc/97/05/78/201970578.db2.gz KXGLXYFWOUFMAA-UHFFFAOYSA-N 1 0 316.405 3.521 20 5 DHBDRO C[C@H](C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000273109156 130090419 /nfs/dbraw/zinc/09/04/19/130090419.db2.gz XBXPNBSADARDOF-NEPJUHHUSA-N 1 0 305.403 3.848 20 5 DHBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000273123064 130091116 /nfs/dbraw/zinc/09/11/16/130091116.db2.gz ZZMXQHJRDSBMOV-NEPJUHHUSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000273354883 130111654 /nfs/dbraw/zinc/11/16/54/130111654.db2.gz BTWWZYUWDZIYQJ-GDBMZVCRSA-N 1 0 306.406 3.587 20 5 DHBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000284076732 131046157 /nfs/dbraw/zinc/04/61/57/131046157.db2.gz LPYQCJGPMFMGBL-RYUDHWBXSA-N 1 0 315.373 3.597 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289288961 131371234 /nfs/dbraw/zinc/37/12/34/131371234.db2.gz HABAVYMTCUJVFY-YOEHRIQHSA-N 1 0 311.385 3.930 20 5 DHBDRO Cc1cccnc1CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000294716718 131855019 /nfs/dbraw/zinc/85/50/19/131855019.db2.gz CGRUVKDHHLNUNP-WEVVVXLNSA-N 1 0 311.385 3.534 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000297455166 132016187 /nfs/dbraw/zinc/01/61/87/132016187.db2.gz XHSWKLRZXPMINO-CQSZACIVSA-N 1 0 313.401 3.927 20 5 DHBDRO CCOC1(C)CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000298254951 132052969 /nfs/dbraw/zinc/05/29/69/132052969.db2.gz LIZGCABXZCRWJO-AWEZNQCLSA-N 1 0 306.406 3.855 20 5 DHBDRO CCC[C@H](NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000320520124 335070581 /nfs/dbraw/zinc/07/05/81/335070581.db2.gz GOAZFTHRIIVYAF-SFHVURJKSA-N 1 0 319.449 3.900 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000179409388 331523462 /nfs/dbraw/zinc/52/34/62/331523462.db2.gz BKCSKFCVIMKELY-NSHDSACASA-N 1 0 304.390 3.833 20 5 DHBDRO CC[C@@H](C)[NH2+][C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000557695953 331809212 /nfs/dbraw/zinc/80/92/12/331809212.db2.gz WZLDYXAPDXJPCO-YPMHNXCESA-N 1 0 321.352 3.868 20 5 DHBDRO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000262083238 332019156 /nfs/dbraw/zinc/01/91/56/332019156.db2.gz HFQRXAALZXNBTF-IIAWOOMASA-N 1 0 305.422 3.556 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C ZINC000518461665 332055108 /nfs/dbraw/zinc/05/51/08/332055108.db2.gz GQARRWNTYFYNDV-CYBMUJFWSA-N 1 0 322.405 3.676 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000409844385 332059795 /nfs/dbraw/zinc/05/97/95/332059795.db2.gz UDJHYVMOVBOJBO-ZDUSSCGKSA-N 1 0 309.369 3.969 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000520948037 332114746 /nfs/dbraw/zinc/11/47/46/332114746.db2.gz OCNZSDBYJUMUAG-RYUDHWBXSA-N 1 0 316.357 3.609 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448024642 332190993 /nfs/dbraw/zinc/19/09/93/332190993.db2.gz ZONLQPIKADRSLD-PBHICJAKSA-N 1 0 319.449 3.674 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H]3CCSC3)C2)cc1 ZINC000449495441 332308037 /nfs/dbraw/zinc/30/80/37/332308037.db2.gz DHVCOTQJOBMSBY-UKRRQHHQSA-N 1 0 306.431 3.527 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000562066684 332541008 /nfs/dbraw/zinc/54/10/08/332541008.db2.gz XIZUMCQMSREWCW-PYJNHQTQSA-N 1 0 310.344 3.549 20 5 DHBDRO CC(C)CSCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000562498990 332599041 /nfs/dbraw/zinc/59/90/41/332599041.db2.gz RLSCTPWNLOKVOO-MRXNPFEDSA-N 1 0 308.447 3.951 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOCC(F)(F)F ZINC000151828113 332621005 /nfs/dbraw/zinc/62/10/05/332621005.db2.gz YOTDTBOWIJUPQS-LLVKDONJSA-N 1 0 320.311 3.523 20 5 DHBDRO COc1cccc(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178653478 333017969 /nfs/dbraw/zinc/01/79/69/333017969.db2.gz JGIVPZMICUZFJI-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000180437167 333028575 /nfs/dbraw/zinc/02/85/75/333028575.db2.gz OCKBKSHCHQYCCJ-LBPRGKRZSA-N 1 0 315.329 3.662 20 5 DHBDRO C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173341637 333072590 /nfs/dbraw/zinc/07/25/90/333072590.db2.gz KCPMIQYLIJIGDE-ZBEGNZNMSA-N 1 0 320.776 3.632 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](CC(C)C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314060735 333085018 /nfs/dbraw/zinc/08/50/18/333085018.db2.gz AIGKPSLLIJXROF-SJORKVTESA-N 1 0 307.438 3.612 20 5 DHBDRO C[C@H](NCC1([NH+](C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000314122306 333088367 /nfs/dbraw/zinc/08/83/67/333088367.db2.gz PMFVKAXTQJMFMV-AWEZNQCLSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1ccc(CN2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000179620672 333153452 /nfs/dbraw/zinc/15/34/52/333153452.db2.gz NHCMERRFYKODEW-LBPRGKRZSA-N 1 0 302.296 3.678 20 5 DHBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390705827 333316370 /nfs/dbraw/zinc/31/63/70/333316370.db2.gz QBZDVPBCBACICG-INIZCTEOSA-N 1 0 311.385 3.671 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2cccnc21 ZINC000365003394 333334268 /nfs/dbraw/zinc/33/42/68/333334268.db2.gz WOJOZSPICIMQSZ-QGZVFWFLSA-N 1 0 311.385 3.889 20 5 DHBDRO CCOC(C)(C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000186541224 333374475 /nfs/dbraw/zinc/37/44/75/333374475.db2.gz ZMPMKGIBHJVJEG-UHFFFAOYSA-N 1 0 318.373 3.760 20 5 DHBDRO C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000188662342 333384476 /nfs/dbraw/zinc/38/44/76/333384476.db2.gz WCYCIJGQORXQLS-GUYCJALGSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000188662364 333384522 /nfs/dbraw/zinc/38/45/22/333384522.db2.gz WCYCIJGQORXQLS-DYVFJYSZSA-N 1 0 306.406 3.577 20 5 DHBDRO C[NH+](C)Cc1cccc(NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000121755973 333388196 /nfs/dbraw/zinc/38/81/96/333388196.db2.gz NXBSOBMYGVMHFR-UHFFFAOYSA-N 1 0 319.792 3.922 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCNc1ccccc1 ZINC000563416828 333602469 /nfs/dbraw/zinc/60/24/69/333602469.db2.gz KBVBYIVSZKRZJU-QGZVFWFLSA-N 1 0 311.385 3.674 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCOc2ccccc21 ZINC000563418167 333602798 /nfs/dbraw/zinc/60/27/98/333602798.db2.gz OXIPLTJAJCUROR-DYVFJYSZSA-N 1 0 324.380 3.738 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000343355691 335154514 /nfs/dbraw/zinc/15/45/14/335154514.db2.gz ZGCXBAZDYDZABH-OAHLLOKOSA-N 1 0 321.352 3.822 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)CCSC ZINC000353832217 335155180 /nfs/dbraw/zinc/15/51/80/335155180.db2.gz XBAODHWOSMDTMX-LBPRGKRZSA-N 1 0 312.435 3.567 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000216254416 333804524 /nfs/dbraw/zinc/80/45/24/333804524.db2.gz UXMJIAUFTHNMKN-GFCCVEGCSA-N 1 0 320.776 3.978 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000343458262 335166155 /nfs/dbraw/zinc/16/61/55/335166155.db2.gz CAGFWZHMFKMUKF-OAHLLOKOSA-N 1 0 306.406 3.719 20 5 DHBDRO CCC[C@@H]([NH2+]C1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414198534 333912846 /nfs/dbraw/zinc/91/28/46/333912846.db2.gz ZWXHPHTVQXJLOL-BDVYOWHSSA-N 1 0 306.406 3.983 20 5 DHBDRO COC1([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000414293673 333934947 /nfs/dbraw/zinc/93/49/47/333934947.db2.gz BRMJFLNRQDSVOP-MLGOLLRUSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnn1-c1ccccc1 ZINC000343491221 335169170 /nfs/dbraw/zinc/16/91/70/335169170.db2.gz OQQCMOYSHRZFAU-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CS1 ZINC000414503966 334000265 /nfs/dbraw/zinc/00/02/65/334000265.db2.gz RPTYLJOAQSZBND-RYUDHWBXSA-N 1 0 318.398 3.838 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000430225914 334002665 /nfs/dbraw/zinc/00/26/65/334002665.db2.gz ZLWHCXNGUGSNOT-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000414521196 334006192 /nfs/dbraw/zinc/00/61/92/334006192.db2.gz DTIUGMWKZDYZDG-KRWDZBQOSA-N 1 0 318.417 3.540 20 5 DHBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000414612636 334040973 /nfs/dbraw/zinc/04/09/73/334040973.db2.gz DTDVQUGTKQMTGN-ZDUSSCGKSA-N 1 0 318.377 3.814 20 5 DHBDRO C[N@H+](CCCCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000276598820 334083300 /nfs/dbraw/zinc/08/33/00/334083300.db2.gz DZOPCPMPXRSWQB-UHFFFAOYSA-N 1 0 320.414 3.528 20 5 DHBDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1C ZINC000531964910 334319358 /nfs/dbraw/zinc/31/93/58/334319358.db2.gz JCLRPRBHIIAHPN-LBPRGKRZSA-N 1 0 316.405 3.587 20 5 DHBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000049530327 334345489 /nfs/dbraw/zinc/34/54/89/334345489.db2.gz UZVLFVRAFVVDDF-AWEZNQCLSA-N 1 0 306.387 3.776 20 5 DHBDRO CC[C@H]([NH2+]Cc1c(C)nc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000342254189 334520723 /nfs/dbraw/zinc/52/07/23/334520723.db2.gz BJCIBDPGJDROMC-INIZCTEOSA-N 1 0 324.384 3.792 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CC(C)C)OC)cc1[N+](=O)[O-] ZINC000417368390 334760547 /nfs/dbraw/zinc/76/05/47/334760547.db2.gz OOWSIMIKTHRPCZ-UKRRQHHQSA-N 1 0 324.421 3.705 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000330650335 334795313 /nfs/dbraw/zinc/79/53/13/334795313.db2.gz JNUWPURMLNYENP-ZQIUZPCESA-N 1 0 306.406 3.757 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CC2CC(F)(F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000425961474 334865629 /nfs/dbraw/zinc/86/56/29/334865629.db2.gz SYNIMWWAZFCGQT-AWEZNQCLSA-N 1 0 310.344 3.952 20 5 DHBDRO CC1(C)C[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000343633367 335183377 /nfs/dbraw/zinc/18/33/77/335183377.db2.gz DYGIMVJWAMMCHE-CYBMUJFWSA-N 1 0 303.387 3.606 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3ccc(F)cc32)cc1 ZINC000344091357 335217261 /nfs/dbraw/zinc/21/72/61/335217261.db2.gz DKZMNJOXKODLTO-SFHVURJKSA-N 1 0 314.360 3.944 20 5 DHBDRO CC[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000344336788 335242160 /nfs/dbraw/zinc/24/21/60/335242160.db2.gz VQUMLWDTVOFBJT-YOEHRIQHSA-N 1 0 320.433 3.824 20 5 DHBDRO CC[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000344336785 335242188 /nfs/dbraw/zinc/24/21/88/335242188.db2.gz VQUMLWDTVOFBJT-RHSMWYFYSA-N 1 0 320.433 3.824 20 5 DHBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688879 338482812 /nfs/dbraw/zinc/48/28/12/338482812.db2.gz LGGLHFLHMDYNOO-WCQYABFASA-N 1 0 316.405 3.776 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1F ZINC000366978257 335472494 /nfs/dbraw/zinc/47/24/94/335472494.db2.gz XXVGJTGDDRVYPJ-UHFFFAOYSA-N 1 0 315.348 3.509 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCSC1)CCC2 ZINC000348217552 335562373 /nfs/dbraw/zinc/56/23/73/335562373.db2.gz AUPYDEOKOMLQNA-LRDDRELGSA-N 1 0 306.431 3.705 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000520663314 336003463 /nfs/dbraw/zinc/00/34/63/336003463.db2.gz DWDKSBDWWDKHGG-WFASDCNBSA-N 1 0 321.421 3.645 20 5 DHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000445902043 338514946 /nfs/dbraw/zinc/51/49/46/338514946.db2.gz BKTKGKKZDJIMLK-CYBMUJFWSA-N 1 0 304.312 3.704 20 5 DHBDRO Cc1ncsc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000331970601 336154722 /nfs/dbraw/zinc/15/47/22/336154722.db2.gz RBHBBUGVSRSBQG-CQSZACIVSA-N 1 0 303.387 3.527 20 5 DHBDRO C[C@@H]1CCC[C@@H](CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000332339421 336169300 /nfs/dbraw/zinc/16/93/00/336169300.db2.gz VIGGPVVQTZUSGH-CABCVRRESA-N 1 0 320.437 3.645 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540039 336223339 /nfs/dbraw/zinc/22/33/39/336223339.db2.gz GMMBQHHVSVAOKB-KBPBESRZSA-N 1 0 324.446 3.709 20 5 DHBDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352780897 336236022 /nfs/dbraw/zinc/23/60/22/336236022.db2.gz WIGKLTUBNLKJNI-LBPRGKRZSA-N 1 0 312.435 3.567 20 5 DHBDRO COc1cc(CN([C@@H](C)c2ccco2)C2CC2)ccc1[N+](=O)[O-] ZINC000352780278 336236060 /nfs/dbraw/zinc/23/60/60/336236060.db2.gz SRYYVIYVJWKGDC-LBPRGKRZSA-N 1 0 316.357 3.922 20 5 DHBDRO C[C@@H]1C[C@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000532575214 336257051 /nfs/dbraw/zinc/25/70/51/336257051.db2.gz NGIFWAFTOYBCTD-OLZOCXBDSA-N 1 0 315.373 3.523 20 5 DHBDRO CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192919704 336284387 /nfs/dbraw/zinc/28/43/87/336284387.db2.gz GLYGHVAGLOIHAD-KBXCAEBGSA-N 1 0 320.433 3.607 20 5 DHBDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192919689 336284401 /nfs/dbraw/zinc/28/44/01/336284401.db2.gz GLYGHVAGLOIHAD-RDTXWAMCSA-N 1 0 320.433 3.607 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000301272227 336297989 /nfs/dbraw/zinc/29/79/89/336297989.db2.gz JWVWAIZEXMFETB-JKSUJKDBSA-N 1 0 317.433 3.686 20 5 DHBDRO C[NH+](C)Cc1cc(CNc2ccc(F)cc2[N+](=O)[O-])ccc1F ZINC000301295816 336299415 /nfs/dbraw/zinc/29/94/15/336299415.db2.gz OZWMUSJAOWNZAA-UHFFFAOYSA-N 1 0 321.327 3.547 20 5 DHBDRO Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000301439779 336306919 /nfs/dbraw/zinc/30/69/19/336306919.db2.gz LWCXOLSNIRBXCI-AWEZNQCLSA-N 1 0 323.780 3.864 20 5 DHBDRO Cc1ccc(NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301518088 336311837 /nfs/dbraw/zinc/31/18/37/336311837.db2.gz FWTLPHILTVNXIY-UHFFFAOYSA-N 1 0 303.406 3.722 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](C2CCCC2)CC1 ZINC000301524814 336312315 /nfs/dbraw/zinc/31/23/15/336312315.db2.gz IKGLQUMOWPYQOU-UHFFFAOYSA-N 1 0 303.406 3.722 20 5 DHBDRO CC[C@H](C)[C@@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302186010 336353040 /nfs/dbraw/zinc/35/30/40/336353040.db2.gz PGYFXIPXPOMTCL-GTNSWQLSSA-N 1 0 317.389 3.660 20 5 DHBDRO Cc1cccc(NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000302518382 336360764 /nfs/dbraw/zinc/36/07/64/336360764.db2.gz WJRBZDAWFJSECD-ZDUSSCGKSA-N 1 0 305.403 3.680 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000302653798 336363595 /nfs/dbraw/zinc/36/35/95/336363595.db2.gz HBACFIYHVZMJCD-CYBMUJFWSA-N 1 0 323.824 3.621 20 5 DHBDRO CC1(C)CCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000563913744 336383252 /nfs/dbraw/zinc/38/32/52/336383252.db2.gz SDEUOTBIBRFVHN-MRXNPFEDSA-N 1 0 301.390 3.787 20 5 DHBDRO CCC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353038689 336386833 /nfs/dbraw/zinc/38/68/33/336386833.db2.gz LDZKFGKBGHKWOB-OAHLLOKOSA-N 1 0 322.405 3.757 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3cc[nH]c3n2)cc1[N+](=O)[O-] ZINC000353631985 336430333 /nfs/dbraw/zinc/43/03/33/336430333.db2.gz RDIDSXANCFLXEI-LBPRGKRZSA-N 1 0 310.357 3.630 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000357989014 336605153 /nfs/dbraw/zinc/60/51/53/336605153.db2.gz GFTDWNOXGXCSLD-ZBEGNZNMSA-N 1 0 316.405 3.747 20 5 DHBDRO Cc1c(C[NH2+]C2CCC3(CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000358325022 336624189 /nfs/dbraw/zinc/62/41/89/336624189.db2.gz OPITZKNCJLFSEJ-UHFFFAOYSA-N 1 0 318.417 3.732 20 5 DHBDRO CCC[C@H]([NH2+]CCc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000359016471 336653289 /nfs/dbraw/zinc/65/32/89/336653289.db2.gz QWXJGMAHLBHKFZ-SFHVURJKSA-N 1 0 313.401 3.972 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000361000781 336731851 /nfs/dbraw/zinc/73/18/51/336731851.db2.gz ZVCSJSIHJVACHE-KRWDZBQOSA-N 1 0 312.369 3.510 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000361877626 336776422 /nfs/dbraw/zinc/77/64/22/336776422.db2.gz QMVHVOUMYABMLL-ROUUACIJSA-N 1 0 314.385 3.759 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C1CCCCC1)CCC2 ZINC000583686993 336950003 /nfs/dbraw/zinc/95/00/03/336950003.db2.gz BJCXHYQOLPKZQN-ROUUACIJSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000374329241 336987417 /nfs/dbraw/zinc/98/74/17/336987417.db2.gz JWKHEUDROCENQI-PBHICJAKSA-N 1 0 311.385 3.806 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000374579088 336992884 /nfs/dbraw/zinc/99/28/84/336992884.db2.gz WWONQMJNZQVXET-SDNTUTLCSA-N 1 0 318.417 3.757 20 5 DHBDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000305183213 337018022 /nfs/dbraw/zinc/01/80/22/337018022.db2.gz WPXCBPSTMXARNP-KSSFIOAISA-N 1 0 314.385 3.759 20 5 DHBDRO NC(=O)C[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000377847002 337062542 /nfs/dbraw/zinc/06/25/42/337062542.db2.gz IHEPTOIYJIPVJR-OAHLLOKOSA-N 1 0 318.420 3.690 20 5 DHBDRO CSC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000193809677 337080263 /nfs/dbraw/zinc/08/02/63/337080263.db2.gz GIMYCQYLLQSFCC-CYBMUJFWSA-N 1 0 308.447 3.791 20 5 DHBDRO C[C@@H]1CC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000582762769 337138308 /nfs/dbraw/zinc/13/83/08/337138308.db2.gz MXGKBGQEWGKBHK-QFSBIZTOSA-N 1 0 318.417 3.863 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000174349402 337140938 /nfs/dbraw/zinc/14/09/38/337140938.db2.gz JKLRWVBRFQKMLR-RYUDHWBXSA-N 1 0 300.449 3.762 20 5 DHBDRO COC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000181082730 337179658 /nfs/dbraw/zinc/17/96/58/337179658.db2.gz UCAYJDQGVGTMDU-UHFFFAOYSA-N 1 0 316.357 3.514 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CSC)C1 ZINC000429295689 337271876 /nfs/dbraw/zinc/27/18/76/337271876.db2.gz QQMPFVPPSCYJDD-CYBMUJFWSA-N 1 0 324.446 3.569 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191660684 337298465 /nfs/dbraw/zinc/29/84/65/337298465.db2.gz NLTOLJNTHTVXNM-QGZVFWFLSA-N 1 0 312.369 3.776 20 5 DHBDRO C[C@H]([N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000532928543 337393350 /nfs/dbraw/zinc/39/33/50/337393350.db2.gz NJPISLIOQGEAJW-NSHDSACASA-N 1 0 318.377 3.511 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000195147196 337465570 /nfs/dbraw/zinc/46/55/70/337465570.db2.gz PUCZXLSBOFNATP-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000246421052 337547149 /nfs/dbraw/zinc/54/71/49/337547149.db2.gz NGEPIQKEUUBBSP-GDZNZVCISA-N 1 0 312.369 3.810 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000107039781 337825529 /nfs/dbraw/zinc/82/55/29/337825529.db2.gz JEUSACQUONUDDE-ZDUSSCGKSA-N 1 0 309.410 3.526 20 5 DHBDRO Cc1cccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c1C ZINC000537088211 337888254 /nfs/dbraw/zinc/88/82/54/337888254.db2.gz YPBIJTIKEKXOKH-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000315118725 337980935 /nfs/dbraw/zinc/98/09/35/337980935.db2.gz NCOGYNRVZYVTQF-JTQLQIEISA-N 1 0 319.327 3.756 20 5 DHBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000315118726 337980987 /nfs/dbraw/zinc/98/09/87/337980987.db2.gz NCOGYNRVZYVTQF-SNVBAGLBSA-N 1 0 319.327 3.756 20 5 DHBDRO COCc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516313199 338009541 /nfs/dbraw/zinc/00/95/41/338009541.db2.gz NLDOAVSRMBNCBK-QGZVFWFLSA-N 1 0 312.369 3.518 20 5 DHBDRO COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000426351442 338028414 /nfs/dbraw/zinc/02/84/14/338028414.db2.gz LCKRGXOXAPENGA-GDBMZVCRSA-N 1 0 320.433 3.568 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@H](C)CC1 ZINC000426389398 338030090 /nfs/dbraw/zinc/03/00/90/338030090.db2.gz FDFXPWIBAVPHFZ-QLKUMGTLSA-N 1 0 306.431 3.826 20 5 DHBDRO CC(C)([NH2+]CCOc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000429262801 338075276 /nfs/dbraw/zinc/07/52/76/338075276.db2.gz HCLDXOXQPSBUJF-UHFFFAOYSA-N 1 0 318.348 3.638 20 5 DHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000429678619 338087074 /nfs/dbraw/zinc/08/70/74/338087074.db2.gz GBBJSISCRJUZEY-GOEBONIOSA-N 1 0 324.446 3.757 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000430213980 338101792 /nfs/dbraw/zinc/10/17/92/338101792.db2.gz DHLNJTUDFZVWNM-QGZVFWFLSA-N 1 0 312.369 3.723 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232219 338102394 /nfs/dbraw/zinc/10/23/94/338102394.db2.gz FWGQEWVMCGWENA-DZGCQCFKSA-N 1 0 324.446 3.709 20 5 DHBDRO CC(C)(C)OC1CC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000432241911 338150180 /nfs/dbraw/zinc/15/01/80/338150180.db2.gz UIALVBPGTBVTCA-UHFFFAOYSA-N 1 0 306.406 3.668 20 5 DHBDRO CC(C)c1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000432813179 338168689 /nfs/dbraw/zinc/16/86/89/338168689.db2.gz LTFFKFCHFKWQJE-INIZCTEOSA-N 1 0 319.449 3.634 20 5 DHBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433283845 338189264 /nfs/dbraw/zinc/18/92/64/338189264.db2.gz CXXWCGXBFNSXJA-OGHNNQOOSA-N 1 0 320.433 3.704 20 5 DHBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433289742 338189614 /nfs/dbraw/zinc/18/96/14/338189614.db2.gz PTRJZYDMYMPQKW-YESZJQIVSA-N 1 0 318.417 3.864 20 5 DHBDRO CCC1(C)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434853610 338226451 /nfs/dbraw/zinc/22/64/51/338226451.db2.gz QIGIBIUBXFTGAM-UHFFFAOYSA-N 1 0 303.362 3.748 20 5 DHBDRO COc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000153594206 338226763 /nfs/dbraw/zinc/22/67/63/338226763.db2.gz ZGIKJTQCRQPTLA-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO CC(C)C(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437109333 338301452 /nfs/dbraw/zinc/30/14/52/338301452.db2.gz RCPNXCBCVMCQFN-CYBMUJFWSA-N 1 0 321.421 3.584 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1Cc3ccccc3O1)CCC2 ZINC000447528641 338554335 /nfs/dbraw/zinc/55/43/35/338554335.db2.gz JHZSGFQCFCZOOG-WMZOPIPTSA-N 1 0 324.380 3.566 20 5 DHBDRO C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447587308 338559673 /nfs/dbraw/zinc/55/96/73/338559673.db2.gz QVOCOYQCLKEQJY-FZKQIMNGSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCS1 ZINC000447588017 338559885 /nfs/dbraw/zinc/55/98/85/338559885.db2.gz SHWIYOVJCYMJIG-JKSUJKDBSA-N 1 0 306.431 3.848 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOc2ccccc21 ZINC000449058989 338589176 /nfs/dbraw/zinc/58/91/76/338589176.db2.gz NQFQGFUBZXTHGI-CZUORRHYSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)cc1F ZINC000449106242 338593997 /nfs/dbraw/zinc/59/39/97/338593997.db2.gz LIDOWTQHPIHBNS-LLVKDONJSA-N 1 0 306.312 3.594 20 5 DHBDRO Cc1csc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449116683 338594736 /nfs/dbraw/zinc/59/47/36/338594736.db2.gz MFCOHJJOFLGYES-JQWIXIFHSA-N 1 0 305.403 3.642 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000449485052 338629691 /nfs/dbraw/zinc/62/96/91/338629691.db2.gz KOFNFLTXRYSQHP-UHFFFAOYSA-N 1 0 324.396 3.574 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000449493608 338631227 /nfs/dbraw/zinc/63/12/27/338631227.db2.gz LUDWVSPLRZZTSV-LBPRGKRZSA-N 1 0 314.332 3.519 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC000453365022 338832380 /nfs/dbraw/zinc/83/23/80/338832380.db2.gz CKVCTXDUMSGUGO-AWEZNQCLSA-N 1 0 320.433 3.885 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000453379101 338834875 /nfs/dbraw/zinc/83/48/75/338834875.db2.gz WISHHYLAVABBOJ-UGFHNGPFSA-N 1 0 304.390 3.690 20 5 DHBDRO CCC(C)(C)OCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000453402978 338838810 /nfs/dbraw/zinc/83/88/10/338838810.db2.gz GHCNXFFXHPBLDH-AWEZNQCLSA-N 1 0 308.422 3.711 20 5 DHBDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000453637454 338851701 /nfs/dbraw/zinc/85/17/01/338851701.db2.gz UXILCOAIBIVYLN-SJCJKPOMSA-N 1 0 320.389 3.520 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)[C@H]1SC ZINC000459431714 339028747 /nfs/dbraw/zinc/02/87/47/339028747.db2.gz SVQPGTOESVPSIK-QKPAOTATSA-N 1 0 324.446 3.545 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)co2)cc1 ZINC000459794055 339048966 /nfs/dbraw/zinc/04/89/66/339048966.db2.gz WIXHYVSODOONFG-KCXAZCMYSA-N 1 0 313.357 3.528 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)co2)cc1 ZINC000459794056 339049024 /nfs/dbraw/zinc/04/90/24/339049024.db2.gz WIXHYVSODOONFG-UHOFOFEASA-N 1 0 313.357 3.528 20 5 DHBDRO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H](C)OC ZINC000462828276 339092757 /nfs/dbraw/zinc/09/27/57/339092757.db2.gz VVHYIFJMHWTQJW-CYBMUJFWSA-N 1 0 318.373 3.712 20 5 DHBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)(C)C ZINC000463357885 339115559 /nfs/dbraw/zinc/11/55/59/339115559.db2.gz KNYLLNKTJDRNOD-UHFFFAOYSA-N 1 0 321.421 3.600 20 5 DHBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)(C)C ZINC000463368075 339116022 /nfs/dbraw/zinc/11/60/22/339116022.db2.gz MXYUROCMRNUQFD-UHFFFAOYSA-N 1 0 321.421 3.600 20 5 DHBDRO COc1cc(C[NH2+]C(C)(C)c2cccs2)c([N+](=O)[O-])cc1F ZINC000464481323 339143084 /nfs/dbraw/zinc/14/30/84/339143084.db2.gz ORRYYVVRFWUFOC-UHFFFAOYSA-N 1 0 324.377 3.829 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000467850346 339247647 /nfs/dbraw/zinc/24/76/47/339247647.db2.gz KFIXYRVKYDCDPQ-QWHCGFSZSA-N 1 0 318.348 3.852 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000468002737 339250812 /nfs/dbraw/zinc/25/08/12/339250812.db2.gz GBOQHRGTHXXECH-LBPRGKRZSA-N 1 0 312.360 3.941 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC1CCCCC1 ZINC000468634418 339267543 /nfs/dbraw/zinc/26/75/43/339267543.db2.gz DHCXTXPGLPKHLW-QINSGFPZSA-N 1 0 318.417 3.937 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[NH+](C(C)C)C(C)C ZINC000468646357 339267900 /nfs/dbraw/zinc/26/79/00/339267900.db2.gz CUSXQJJEYNHZNG-LFIBNONCSA-N 1 0 319.449 3.707 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000468646734 339267920 /nfs/dbraw/zinc/26/79/20/339267920.db2.gz YKPUWUZZFBWMDO-WAFIBAPDSA-N 1 0 324.380 3.591 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[NH+](C(C)C)C(C)C ZINC000468646358 339267939 /nfs/dbraw/zinc/26/79/39/339267939.db2.gz CUSXQJJEYNHZNG-WJDWOHSUSA-N 1 0 319.449 3.707 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(F)c1 ZINC000468646876 339267959 /nfs/dbraw/zinc/26/79/59/339267959.db2.gz ZRMMJBOHBYVBOW-MDWZMJQESA-N 1 0 300.333 3.927 20 5 DHBDRO CCCC(O)(CCC)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468650517 339268065 /nfs/dbraw/zinc/26/80/65/339268065.db2.gz YLTGYTRUHJCMPQ-RVDMUPIBSA-N 1 0 320.433 3.919 20 5 DHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000469775197 339298882 /nfs/dbraw/zinc/29/88/82/339298882.db2.gz KKJRYQCTLMJCSB-BBRMVZONSA-N 1 0 324.446 3.757 20 5 DHBDRO CSC[C@@H]1CCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470179518 339313145 /nfs/dbraw/zinc/31/31/45/339313145.db2.gz YFZCAROPLDTYHX-WQMJKPAKSA-N 1 0 306.431 3.826 20 5 DHBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000471049524 339335870 /nfs/dbraw/zinc/33/58/70/339335870.db2.gz ZMAYKIHXMHJEGL-KBXCAEBGSA-N 1 0 312.369 3.667 20 5 DHBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000471522763 339346734 /nfs/dbraw/zinc/34/67/34/339346734.db2.gz PAEIEVOLAHAAFT-YPMHNXCESA-N 1 0 311.813 3.557 20 5 DHBDRO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000475682264 339459467 /nfs/dbraw/zinc/45/94/67/339459467.db2.gz PJOYQSDBQGWNCO-LBPRGKRZSA-N 1 0 314.813 3.525 20 5 DHBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000480660837 339581761 /nfs/dbraw/zinc/58/17/61/339581761.db2.gz IYUGKAIFHNZGNF-MFKMUULPSA-N 1 0 316.323 3.704 20 5 DHBDRO CCCC(O)(CCC)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000483301122 339660456 /nfs/dbraw/zinc/66/04/56/339660456.db2.gz ZWTAABVOCJZLRZ-AWEZNQCLSA-N 1 0 308.422 3.885 20 5 DHBDRO COC1CCC(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000484288122 339683745 /nfs/dbraw/zinc/68/37/45/339683745.db2.gz HSTNCWRLWNBMHH-VQCLRJIVSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000484861511 339694371 /nfs/dbraw/zinc/69/43/71/339694371.db2.gz DVIBHLBHFHNPPY-GFCCVEGCSA-N 1 0 309.410 3.524 20 5 DHBDRO CC(C)([NH2+]Cc1scnc1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000487332883 339751642 /nfs/dbraw/zinc/75/16/42/339751642.db2.gz KZRMVYWKMSNZPV-UHFFFAOYSA-N 1 0 317.414 3.954 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000488545062 339787233 /nfs/dbraw/zinc/78/72/33/339787233.db2.gz OIFFQDOTOSNDBV-HIFRSBDPSA-N 1 0 308.447 3.913 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000492786885 339908865 /nfs/dbraw/zinc/90/88/65/339908865.db2.gz ZZITVJXFRUPHCL-SUMWQHHRSA-N 1 0 306.406 3.759 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCSC2)c2ccccc2)c1 ZINC000494036209 339939530 /nfs/dbraw/zinc/93/95/30/339939530.db2.gz BPQMZMVPAKYBCO-WBVHZDCISA-N 1 0 314.410 3.779 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000497112395 340020605 /nfs/dbraw/zinc/02/06/05/340020605.db2.gz DZUBLUOGVOSYEI-YJBOKZPZSA-N 1 0 320.433 3.701 20 5 DHBDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502413355 340102540 /nfs/dbraw/zinc/10/25/40/340102540.db2.gz GRMAOYMHDXRXBA-WQVCFCJDSA-N 1 0 308.809 3.959 20 5 DHBDRO C[C@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000502663921 340109814 /nfs/dbraw/zinc/10/98/14/340109814.db2.gz QQSZNGWOTLNFTA-JTQLQIEISA-N 1 0 324.302 3.905 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000503582677 340131716 /nfs/dbraw/zinc/13/17/16/340131716.db2.gz FEYXDHZJPIRLQU-AWEZNQCLSA-N 1 0 300.333 3.723 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503858649 340135308 /nfs/dbraw/zinc/13/53/08/340135308.db2.gz RHIDKCCCXVWMKY-LERXQTSPSA-N 1 0 314.332 3.714 20 5 DHBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000505608362 340172819 /nfs/dbraw/zinc/17/28/19/340172819.db2.gz LAKQYZSDNGLSIT-RYUDHWBXSA-N 1 0 311.813 3.781 20 5 DHBDRO Cc1ccc(C[N@H+](C)CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000506148367 340186841 /nfs/dbraw/zinc/18/68/41/340186841.db2.gz PUULUAVCTVUUDW-UHFFFAOYSA-N 1 0 318.348 3.553 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc3c(c2)CCO3)C2CC2)c1 ZINC000507157272 340209927 /nfs/dbraw/zinc/20/99/27/340209927.db2.gz WKRIAUQZIOYKRJ-UHFFFAOYSA-N 1 0 324.380 3.694 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000507813633 340232859 /nfs/dbraw/zinc/23/28/59/340232859.db2.gz KKWQQJTVKHSTRL-HNNXBMFYSA-N 1 0 318.323 3.693 20 5 DHBDRO C[N@H+](CCSc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000509090031 340260960 /nfs/dbraw/zinc/26/09/60/340260960.db2.gz NWNHAZCHZLPRMW-UHFFFAOYSA-N 1 0 320.389 3.958 20 5 DHBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccc(F)cc1 ZINC000510455593 340299946 /nfs/dbraw/zinc/29/99/46/340299946.db2.gz CFJCNVZSIHXCQE-XQRVVYSFSA-N 1 0 314.360 3.922 20 5 DHBDRO COCC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000510985246 340317160 /nfs/dbraw/zinc/31/71/60/340317160.db2.gz ZYDNATNBZXRSFC-WMLDXEAASA-N 1 0 322.449 3.957 20 5 DHBDRO COCC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000510985244 340317239 /nfs/dbraw/zinc/31/72/39/340317239.db2.gz ZYDNATNBZXRSFC-PBHICJAKSA-N 1 0 322.449 3.957 20 5 DHBDRO COc1ccc(C)cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071958 340319993 /nfs/dbraw/zinc/31/99/93/340319993.db2.gz BWRQQVMZPSXCHF-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000512599418 340368476 /nfs/dbraw/zinc/36/84/76/340368476.db2.gz CNXRTHCXTOVRLA-NSHDSACASA-N 1 0 320.776 3.675 20 5 DHBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512863806 340381320 /nfs/dbraw/zinc/38/13/20/340381320.db2.gz GTHNELYQBJYMJQ-XHDPSFHLSA-N 1 0 318.398 3.696 20 5 DHBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512863800 340381332 /nfs/dbraw/zinc/38/13/32/340381332.db2.gz GTHNELYQBJYMJQ-ABAIWWIYSA-N 1 0 318.398 3.696 20 5 DHBDRO CCC[C@]1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000512880389 340382207 /nfs/dbraw/zinc/38/22/07/340382207.db2.gz TVXJWTHFLHANTE-KRWDZBQOSA-N 1 0 306.406 3.767 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000540168731 340919925 /nfs/dbraw/zinc/91/99/25/340919925.db2.gz NTFWWJUNVACNEO-SFHVURJKSA-N 1 0 312.369 3.559 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000540192428 340922551 /nfs/dbraw/zinc/92/25/51/340922551.db2.gz LSPMWELYJQNOHC-CQSZACIVSA-N 1 0 319.449 3.817 20 5 DHBDRO Cc1c([C@@H](C)NCC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000542486472 341009840 /nfs/dbraw/zinc/00/98/40/341009840.db2.gz JWQQJNUQJDHETE-GDBMZVCRSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)Oc1ccccc1 ZINC000542704584 341018134 /nfs/dbraw/zinc/01/81/34/341018134.db2.gz GTBDPBNTGBHALS-UHFFFAOYSA-N 1 0 314.385 3.850 20 5 DHBDRO C[C@H](Cc1ccsc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000543096346 341031659 /nfs/dbraw/zinc/03/16/59/341031659.db2.gz XEZCWDYZGZNEKT-GFCCVEGCSA-N 1 0 302.399 3.646 20 5 DHBDRO Cc1ccc([C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000543246193 341037876 /nfs/dbraw/zinc/03/78/76/341037876.db2.gz OKGWJKZIQCKPNA-OAHLLOKOSA-N 1 0 302.399 3.954 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCc1ccccc1O ZINC000543249358 341038281 /nfs/dbraw/zinc/03/82/81/341038281.db2.gz QQRZWKPHMKPXQB-CQSZACIVSA-N 1 0 314.385 3.844 20 5 DHBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000544185320 341073379 /nfs/dbraw/zinc/07/33/79/341073379.db2.gz ZTFGACNQUGYVOF-SJCJKPOMSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000545201022 341113332 /nfs/dbraw/zinc/11/33/32/341113332.db2.gz DDXOVXSJSACTCA-JDFRZJQESA-N 1 0 304.390 3.511 20 5 DHBDRO CCC(CC)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000546165460 341155410 /nfs/dbraw/zinc/15/54/10/341155410.db2.gz GVXNHBDALPBWLF-CYBMUJFWSA-N 1 0 322.405 3.533 20 5 DHBDRO Cc1ccc([C@H](C)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000546931193 341186999 /nfs/dbraw/zinc/18/69/99/341186999.db2.gz RVHGVIDVETXSMG-HNNXBMFYSA-N 1 0 319.449 3.676 20 5 DHBDRO Cc1ccc2c(CC[NH2+]Cc3cccc([N+](=O)[O-])c3)c[nH]c2c1 ZINC000237885426 341222495 /nfs/dbraw/zinc/22/24/95/341222495.db2.gz SOAXZWUGIMDGJS-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO COc1cc(C)ccc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548710080 341270113 /nfs/dbraw/zinc/27/01/13/341270113.db2.gz WVVBFCINRMFYEN-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO CO[C@H](C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000549551555 341297503 /nfs/dbraw/zinc/29/75/03/341297503.db2.gz VVBNHOSTAABAGA-GFCCVEGCSA-N 1 0 320.414 3.838 20 5 DHBDRO Cc1ccccc1C(C)(C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000550263023 341313809 /nfs/dbraw/zinc/31/38/09/341313809.db2.gz SMQYPJDAJHZOBG-UHFFFAOYSA-N 1 0 314.385 3.807 20 5 DHBDRO CC(C)(C)C1CC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000551242669 341335335 /nfs/dbraw/zinc/33/53/35/341335335.db2.gz VWBGLFANOMKVLB-PFSRBDOWSA-N 1 0 320.437 3.689 20 5 DHBDRO CC(C)(C)C1CC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000551242668 341335338 /nfs/dbraw/zinc/33/53/38/341335338.db2.gz VWBGLFANOMKVLB-NEXFUWMNSA-N 1 0 320.437 3.689 20 5 DHBDRO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000246918822 341358672 /nfs/dbraw/zinc/35/86/72/341358672.db2.gz YJRIKRLDZAWVPY-RYUDHWBXSA-N 1 0 303.362 3.604 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCc2ccc(F)cc2C1 ZINC000552242551 341380632 /nfs/dbraw/zinc/38/06/32/341380632.db2.gz VDQKCMJTUVGUML-HYXAFXHYSA-N 1 0 312.344 3.805 20 5 DHBDRO C[C@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC[C@@H]1O ZINC000249056653 341392722 /nfs/dbraw/zinc/39/27/22/341392722.db2.gz YSYMONNJMLTKGG-OKZBNKHCSA-N 1 0 318.417 3.503 20 5 DHBDRO C[NH+](C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000552909606 341408334 /nfs/dbraw/zinc/40/83/34/341408334.db2.gz JCTKPCUPXBNOKE-OAHLLOKOSA-N 1 0 321.327 3.588 20 5 DHBDRO Cc1sccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000555586608 341486017 /nfs/dbraw/zinc/48/60/17/341486017.db2.gz YEDPPEBKZCTRQB-UHFFFAOYSA-N 1 0 315.398 3.778 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000556099816 341494219 /nfs/dbraw/zinc/49/42/19/341494219.db2.gz ZNOATASAZPTJQW-RHSMWYFYSA-N 1 0 319.449 3.674 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2c1cccc2O ZINC000567061509 341577541 /nfs/dbraw/zinc/57/75/41/341577541.db2.gz YQUIUIPZWKCHHF-CVEARBPZSA-N 1 0 310.353 3.565 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000574662233 341765196 /nfs/dbraw/zinc/76/51/96/341765196.db2.gz HORQDRNNRLWTHM-HDMKZQKVSA-N 1 0 320.433 3.824 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)c1ccccc1 ZINC000480626651 518182312 /nfs/dbraw/zinc/18/23/12/518182312.db2.gz QQGWJGGYXPYFBB-CABCVRRESA-N 1 0 313.401 3.770 20 5 DHBDRO CCOCc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119556017 520214020 /nfs/dbraw/zinc/21/40/20/520214020.db2.gz BXSJWUREXQSJRU-CQSZACIVSA-N 1 0 314.385 3.982 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCCO[C@H]21 ZINC000266157088 520667529 /nfs/dbraw/zinc/66/75/29/520667529.db2.gz MIWDYIQTKYWOEF-BPLDGKMQSA-N 1 0 324.808 3.541 20 5 DHBDRO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000265853747 521692738 /nfs/dbraw/zinc/69/27/38/521692738.db2.gz ITWIHJJQQVSGNB-YUELXQCFSA-N 1 0 324.446 3.682 20 5 DHBDRO CC[C@H]([NH2+]CCc1sc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000157979782 522608158 /nfs/dbraw/zinc/60/81/58/522608158.db2.gz OYNRUKHZBRSDGZ-HNNXBMFYSA-N 1 0 319.430 3.952 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266887506 524706686 /nfs/dbraw/zinc/70/66/86/524706686.db2.gz QLRIKOZYOIOEFT-CHWSQXEVSA-N 1 0 300.358 3.582 20 5 DHBDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000266748326 525409429 /nfs/dbraw/zinc/40/94/29/525409429.db2.gz BURMJPRUOJQRIL-ZBEGNZNMSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@@H]([NH2+]CCCCNc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000162906239 525434866 /nfs/dbraw/zinc/43/48/66/525434866.db2.gz FLSLFZMDLKTSIT-CQSZACIVSA-N 1 0 314.389 3.533 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000180718620 525647920 /nfs/dbraw/zinc/64/79/20/525647920.db2.gz BFAXQPAGOLXVQC-BDJLRTHQSA-N 1 0 316.332 3.908 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3c2cccc3O)cccc1[N+](=O)[O-] ZINC000130439257 525906070 /nfs/dbraw/zinc/90/60/70/525906070.db2.gz VWJRJYPSRIMLME-WBMJQRKESA-N 1 0 312.369 3.947 20 5 DHBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000130673835 525976739 /nfs/dbraw/zinc/97/67/39/525976739.db2.gz LMXFWERZTFVSMV-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000368218130 526083853 /nfs/dbraw/zinc/08/38/53/526083853.db2.gz DTCOTJDZMMIRGK-ZIAGYGMSSA-N 1 0 304.390 3.547 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000130435628 526090195 /nfs/dbraw/zinc/09/01/95/526090195.db2.gz AGULOJPKLMVQON-YVEFUNNKSA-N 1 0 312.369 3.947 20 5 DHBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000359870830 1013059552 /nfs/dbraw/zinc/05/95/52/1013059552.db2.gz JNMKSNPFHSXJLV-RDTXWAMCSA-N 1 0 311.385 3.615 20 5 DHBDRO Cc1ncsc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000154466274 1013101726 /nfs/dbraw/zinc/10/17/26/1013101726.db2.gz CMIVXIZLRAEGFE-UHFFFAOYSA-N 1 0 305.403 3.770 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCC1CC(F)(F)C1 ZINC000894803951 1013492789 /nfs/dbraw/zinc/49/27/89/1013492789.db2.gz FEZFLYFIPVCXKM-UHFFFAOYSA-N 1 0 304.724 3.773 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000247231051 1013595559 /nfs/dbraw/zinc/59/55/59/1013595559.db2.gz WYXAAPKRSGRUGG-QRTARXTBSA-N 1 0 306.406 3.577 20 5 DHBDRO COc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000237160356 1013718100 /nfs/dbraw/zinc/71/81/00/1013718100.db2.gz ITNLZPSHCLWHSZ-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000441462425 1013909852 /nfs/dbraw/zinc/90/98/52/1013909852.db2.gz IAWUHPUHBMWIPP-IOASZLSFSA-N 1 0 304.390 3.756 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610341917 1013949206 /nfs/dbraw/zinc/94/92/06/1013949206.db2.gz JDFYZFSGJPDSIF-CABCVRRESA-N 1 0 311.385 3.524 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccsc1)C1CC1 ZINC000177726742 1014051214 /nfs/dbraw/zinc/05/12/14/1014051214.db2.gz GQQGBGKCSHAYAM-MRXNPFEDSA-N 1 0 316.426 3.810 20 5 DHBDRO C[C@H]([NH2+]CCCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000119047380 1014103285 /nfs/dbraw/zinc/10/32/85/1014103285.db2.gz ZMAHZOSKTYELJH-AWEZNQCLSA-N 1 0 324.384 3.685 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000275946443 1014330644 /nfs/dbraw/zinc/33/06/44/1014330644.db2.gz ZXBUZYSWLLTBRC-HNNXBMFYSA-N 1 0 318.348 3.983 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@H]21 ZINC000248447882 1014500474 /nfs/dbraw/zinc/50/04/74/1014500474.db2.gz HPETYKFEYGWBOZ-BPLDGKMQSA-N 1 0 324.808 3.541 20 5 DHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000521480325 1014708187 /nfs/dbraw/zinc/70/81/87/1014708187.db2.gz XMPFSAJDCOJKQR-GOSISDBHSA-N 1 0 312.369 3.593 20 5 DHBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001167457841 1014771258 /nfs/dbraw/zinc/77/12/58/1014771258.db2.gz LYIOMEUPFNRSAJ-RHSMWYFYSA-N 1 0 306.406 3.874 20 5 DHBDRO COc1ccc(C[NH2+]C[C@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000521834073 1014817172 /nfs/dbraw/zinc/81/71/72/1014817172.db2.gz MAHOODYRNAGZRU-ZDUSSCGKSA-N 1 0 306.406 3.909 20 5 DHBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])c1C ZINC001167465599 1014902557 /nfs/dbraw/zinc/90/25/57/1014902557.db2.gz YMLJZTMQYQTESV-KRWDZBQOSA-N 1 0 311.385 3.944 20 5 DHBDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276291990 1014917529 /nfs/dbraw/zinc/91/75/29/1014917529.db2.gz HZPQSXDVKWOIJJ-HNNXBMFYSA-N 1 0 303.337 3.712 20 5 DHBDRO CCC[NH+](CCC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173185947 1033585133 /nfs/dbraw/zinc/58/51/33/1033585133.db2.gz QFFYTBIPHQTYND-GFCCVEGCSA-N 1 0 312.385 3.796 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000051129847 1015102332 /nfs/dbraw/zinc/10/23/32/1015102332.db2.gz CCYQQAIWQMXHGV-LBPRGKRZSA-N 1 0 318.348 3.936 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CSC3)s2)cc1 ZINC000895422886 1015147499 /nfs/dbraw/zinc/14/74/99/1015147499.db2.gz RYNFGLFEBKVJPB-UHFFFAOYSA-N 1 0 320.439 3.776 20 5 DHBDRO CCOCC(C)(C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000581689217 1015226408 /nfs/dbraw/zinc/22/64/08/1015226408.db2.gz GYRCUCRMWAYBDX-UHFFFAOYSA-N 1 0 308.422 3.871 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000895663345 1015248194 /nfs/dbraw/zinc/24/81/94/1015248194.db2.gz JYDIXUIOFIIIIM-GXTWGEPZSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 ZINC000090910139 1015297934 /nfs/dbraw/zinc/29/79/34/1015297934.db2.gz JFWTXWCUJSKQPE-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000025500381 1015442616 /nfs/dbraw/zinc/44/26/16/1015442616.db2.gz QNTYWUVCLVSLDW-GFCCVEGCSA-N 1 0 317.414 3.515 20 5 DHBDRO CC(C)(C)OCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610995240 1015574021 /nfs/dbraw/zinc/57/40/21/1015574021.db2.gz SYSOGHYAMRVPDZ-UHFFFAOYSA-N 1 0 306.406 3.764 20 5 DHBDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581137 1015631659 /nfs/dbraw/zinc/63/16/59/1015631659.db2.gz PVCCMVRWQAUVMG-SMDDNHRTSA-N 1 0 303.362 3.747 20 5 DHBDRO C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000187667768 1015777695 /nfs/dbraw/zinc/77/76/95/1015777695.db2.gz NZGCNQDLDPUZLT-KBXCAEBGSA-N 1 0 314.385 3.543 20 5 DHBDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000380693359 1016142399 /nfs/dbraw/zinc/14/23/99/1016142399.db2.gz UYCHPPLLVLZIOR-LBPRGKRZSA-N 1 0 313.195 3.636 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000065533480 1016201707 /nfs/dbraw/zinc/20/17/07/1016201707.db2.gz QTUJHYBGRVQCBM-UHFFFAOYSA-N 1 0 318.398 3.700 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)ccc1Cl ZINC000846908855 1032145098 /nfs/dbraw/zinc/14/50/98/1032145098.db2.gz WTTCGMXLSWSTNJ-CQSZACIVSA-N 1 0 317.776 3.633 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000071959567 1016284949 /nfs/dbraw/zinc/28/49/49/1016284949.db2.gz NADSPHGFCYKJJH-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000119879408 1016402672 /nfs/dbraw/zinc/40/26/72/1016402672.db2.gz XBXGPEKHTLBEKU-CQSZACIVSA-N 1 0 313.401 3.820 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000178548727 1016488970 /nfs/dbraw/zinc/48/89/70/1016488970.db2.gz PRMKSULJMQGTOU-UONOGXRCSA-N 1 0 314.385 3.807 20 5 DHBDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000281473610 1016532968 /nfs/dbraw/zinc/53/29/68/1016532968.db2.gz FJTJYOPCBIUVMW-MRXNPFEDSA-N 1 0 316.332 3.520 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000349707077 1016582715 /nfs/dbraw/zinc/58/27/15/1016582715.db2.gz MZEVJNLNXCGNIX-JSGCOSHPSA-N 1 0 322.405 3.623 20 5 DHBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000076458679 1016977782 /nfs/dbraw/zinc/97/77/82/1016977782.db2.gz LWDBMOONDQGPES-UHFFFAOYSA-N 1 0 306.387 3.557 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]CC3CCC3)o2)c([N+](=O)[O-])c1 ZINC000237425326 1016990356 /nfs/dbraw/zinc/99/03/56/1016990356.db2.gz FMUXOUUDYCRPLE-UHFFFAOYSA-N 1 0 316.357 3.753 20 5 DHBDRO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000089513215 1032155541 /nfs/dbraw/zinc/15/55/41/1032155541.db2.gz JWBYITYVWRBXRY-JTQLQIEISA-N 1 0 305.403 3.773 20 5 DHBDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000772981442 1032311389 /nfs/dbraw/zinc/31/13/89/1032311389.db2.gz PKUBUNDGMMGKNT-GOSISDBHSA-N 1 0 312.369 3.559 20 5 DHBDRO [NH3+]CCc1cc2ccccc2n1-c1cc([N+](=O)[O-])ccc1Cl ZINC001171303979 1032313287 /nfs/dbraw/zinc/31/32/87/1032313287.db2.gz ACXAFBFDDZDDKB-UHFFFAOYSA-N 1 0 315.760 3.693 20 5 DHBDRO C[C@@H]1CSCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000537636778 1032466534 /nfs/dbraw/zinc/46/65/34/1032466534.db2.gz VAUUSEBHGWGYDU-GFCCVEGCSA-N 1 0 318.398 3.792 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000282741037 1032471387 /nfs/dbraw/zinc/47/13/87/1032471387.db2.gz NDRRUCJEWDNZQC-SJORKVTESA-N 1 0 318.417 3.985 20 5 DHBDRO CC1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C(C)(C)O1 ZINC000773038692 1032535669 /nfs/dbraw/zinc/53/56/69/1032535669.db2.gz BHOGEWMSRQBCTN-ZDUSSCGKSA-N 1 0 312.797 3.684 20 5 DHBDRO Cc1cc(NCc2ccc([N+](=O)[O-])cc2Cl)nc(C2CC2)n1 ZINC000183980118 1011934306 /nfs/dbraw/zinc/93/43/06/1011934306.db2.gz REXBSRLOZDRVPP-UHFFFAOYSA-N 1 0 318.764 3.836 20 5 DHBDRO C[C@@H]1C[C@H](Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000557589812 1011937519 /nfs/dbraw/zinc/93/75/19/1011937519.db2.gz ZHLJVTIAUDQWAM-PSASIEDQSA-N 1 0 318.204 3.796 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000034996512 1011956723 /nfs/dbraw/zinc/95/67/23/1011956723.db2.gz MQZXNGUENHOMBZ-OAHLLOKOSA-N 1 0 300.383 3.922 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccnc1Cl ZINC000123187461 1032638468 /nfs/dbraw/zinc/63/84/68/1032638468.db2.gz CXEWDRRBHDJKHJ-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO CCc1nc([C@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000515311144 1012600847 /nfs/dbraw/zinc/60/08/47/1012600847.db2.gz CDFVHBKLZSMHQO-GXFFZTMASA-N 1 0 317.414 3.952 20 5 DHBDRO CCCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCC[C@@H](C)C1 ZINC000339646871 1012720059 /nfs/dbraw/zinc/72/00/59/1012720059.db2.gz LCOIFOWSGSQSEA-ZIAGYGMSSA-N 1 0 308.426 3.509 20 5 DHBDRO O=[N+]([O-])c1cccnc1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000015168932 1012999870 /nfs/dbraw/zinc/99/98/70/1012999870.db2.gz PMJRUYLGVNIUCQ-UHFFFAOYSA-N 1 0 318.421 3.591 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1[N+](=O)[O-] ZINC000124923741 1032685445 /nfs/dbraw/zinc/68/54/45/1032685445.db2.gz RLNQTLQZFOFZMX-DPAVQSFQSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1c([C@@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)cccc1[N+](=O)[O-] ZINC000611480882 1017216993 /nfs/dbraw/zinc/21/69/93/1017216993.db2.gz NPRXAQPJHNKVHL-CYBMUJFWSA-N 1 0 323.356 3.657 20 5 DHBDRO COC1(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000323925846 1017443185 /nfs/dbraw/zinc/44/31/85/1017443185.db2.gz XCVLIJPMVXHCCX-UHFFFAOYSA-N 1 0 315.373 3.823 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000178659775 1017568132 /nfs/dbraw/zinc/56/81/32/1017568132.db2.gz SDRJMCZYVVWSOP-OLZOCXBDSA-N 1 0 318.348 3.852 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000021043548 1017573847 /nfs/dbraw/zinc/57/38/47/1017573847.db2.gz AYUCQWZKHWMUIW-UHFFFAOYSA-N 1 0 306.749 3.547 20 5 DHBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000083168328 1017597172 /nfs/dbraw/zinc/59/71/72/1017597172.db2.gz BZQCJZWKTMDZBU-UHFFFAOYSA-N 1 0 303.362 3.891 20 5 DHBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444652755 1017606296 /nfs/dbraw/zinc/60/62/96/1017606296.db2.gz KCDVPQGGMZGSOM-LRDDRELGSA-N 1 0 316.405 3.872 20 5 DHBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC(C)(C)CC1 ZINC000444639644 1017613006 /nfs/dbraw/zinc/61/30/06/1017613006.db2.gz AVCIQCMJDVPMBK-UHFFFAOYSA-N 1 0 316.405 3.872 20 5 DHBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688876 1017631539 /nfs/dbraw/zinc/63/15/39/1017631539.db2.gz LGGLHFLHMDYNOO-AAEUAGOBSA-N 1 0 316.405 3.776 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000444769775 1017667034 /nfs/dbraw/zinc/66/70/34/1017667034.db2.gz JNFGTNPWPCJELP-LBPRGKRZSA-N 1 0 310.369 3.611 20 5 DHBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000523386932 1017672305 /nfs/dbraw/zinc/67/23/05/1017672305.db2.gz KGUSKUDXDYMIGQ-QGZVFWFLSA-N 1 0 318.348 3.854 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000444828578 1017689524 /nfs/dbraw/zinc/68/95/24/1017689524.db2.gz OGRFCVFNXCENNN-VXGBXAGGSA-N 1 0 309.797 3.595 20 5 DHBDRO C[C@H]1c2c(F)cccc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000523448666 1017702793 /nfs/dbraw/zinc/70/27/93/1017702793.db2.gz DOOJJYSLICMPGE-ZDUSSCGKSA-N 1 0 314.360 3.896 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)o1 ZINC000572878024 1017748006 /nfs/dbraw/zinc/74/80/06/1017748006.db2.gz LZCYLZDJQCWYBN-NEPJUHHUSA-N 1 0 304.321 3.835 20 5 DHBDRO CN(Cc1nc2ccccc2s1)Cc1cccc([N+](=O)[O-])c1 ZINC000021313559 1017748598 /nfs/dbraw/zinc/74/85/98/1017748598.db2.gz ATBYQBYXSQJPCW-UHFFFAOYSA-N 1 0 313.382 3.837 20 5 DHBDRO Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000164631593 1017778872 /nfs/dbraw/zinc/77/88/72/1017778872.db2.gz GQXSSGXKDFWALK-CQSZACIVSA-N 1 0 316.405 3.539 20 5 DHBDRO CCC[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612539152 1017816759 /nfs/dbraw/zinc/81/67/59/1017816759.db2.gz VXNVXUQJPYWWLO-GFCCVEGCSA-N 1 0 303.362 3.891 20 5 DHBDRO CC[C@@H]([NH2+]CC1(CC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000268929394 1017859789 /nfs/dbraw/zinc/85/97/89/1017859789.db2.gz LWRWBVASWCKJBN-MRXNPFEDSA-N 1 0 306.406 3.842 20 5 DHBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000524266075 1017945001 /nfs/dbraw/zinc/94/50/01/1017945001.db2.gz RHQXTXAFLKLLRJ-LBPRGKRZSA-N 1 0 309.385 3.656 20 5 DHBDRO CC[C@H](NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000171509889 1017950351 /nfs/dbraw/zinc/95/03/51/1017950351.db2.gz YQQLVLQEVMHRFS-KRWDZBQOSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000127317440 1017955228 /nfs/dbraw/zinc/95/52/28/1017955228.db2.gz KSCXFWKDCRVYEW-KGLIPLIRSA-N 1 0 304.390 3.737 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)C1CC1 ZINC000121599399 1017959227 /nfs/dbraw/zinc/95/92/27/1017959227.db2.gz GVEMCMUWVQJSNL-PKOBYXMFSA-N 1 0 322.408 3.845 20 5 DHBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1F ZINC000524426361 1017992024 /nfs/dbraw/zinc/99/20/24/1017992024.db2.gz NXZDMTNJNJHSLQ-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000248826290 1018072149 /nfs/dbraw/zinc/07/21/49/1018072149.db2.gz LYTZUHYQMNVSCQ-DXCKQFNASA-N 1 0 304.390 3.511 20 5 DHBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000524895232 1018119038 /nfs/dbraw/zinc/11/90/38/1018119038.db2.gz PSVFTJUBXZOVNL-CVEARBPZSA-N 1 0 306.406 3.539 20 5 DHBDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173232044 1018145618 /nfs/dbraw/zinc/14/56/18/1018145618.db2.gz GUTWWOVCKDAEHG-KPZWWZAWSA-N 1 0 312.369 3.942 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278116446 1018155590 /nfs/dbraw/zinc/15/55/90/1018155590.db2.gz ANFQAIBVOWXCJX-OGOUPESXSA-N 1 0 314.307 3.882 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000178823437 1018204357 /nfs/dbraw/zinc/20/43/57/1018204357.db2.gz KRJQNNSXEDEOHA-AHIWAGSCSA-N 1 0 312.369 3.810 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000428452092 1018242837 /nfs/dbraw/zinc/24/28/37/1018242837.db2.gz JDEOBPAFFYHDKW-ZWNOBZJWSA-N 1 0 312.316 3.571 20 5 DHBDRO C[C@H](CC1CCCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446834969 1018264626 /nfs/dbraw/zinc/26/46/26/1018264626.db2.gz IWEHUGRRNDTXQJ-LLVKDONJSA-N 1 0 302.378 3.530 20 5 DHBDRO CS[C@@H]1CCCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000441136341 1018272297 /nfs/dbraw/zinc/27/22/97/1018272297.db2.gz VYYXHPOMIYMYRI-MRXNPFEDSA-N 1 0 324.446 3.581 20 5 DHBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000447057985 1018319857 /nfs/dbraw/zinc/31/98/57/1018319857.db2.gz FPQDFLRSMKVDDU-KRWDZBQOSA-N 1 0 306.406 3.684 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC3(C2)CCCCC3)cc1 ZINC000525637180 1018343629 /nfs/dbraw/zinc/34/36/29/1018343629.db2.gz AUWUZIHIZVMYGY-UHFFFAOYSA-N 1 0 304.390 3.630 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000052306332 1018399638 /nfs/dbraw/zinc/39/96/38/1018399638.db2.gz CYNHBIZJDWAKGY-UHFFFAOYSA-N 1 0 324.380 3.632 20 5 DHBDRO Cc1cc(C)c(CSCc2cccnc2[N+](=O)[O-])c(C)n1 ZINC001350624133 1018404071 /nfs/dbraw/zinc/40/40/71/1018404071.db2.gz YLPMFLXEXLZWLN-UHFFFAOYSA-N 1 0 303.387 3.743 20 5 DHBDRO CCCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447579433 1018437608 /nfs/dbraw/zinc/43/76/08/1018437608.db2.gz KRSNFBYMKGIPOB-LSDHHAIUSA-N 1 0 320.437 3.835 20 5 DHBDRO CC[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765313939 1018752846 /nfs/dbraw/zinc/75/28/46/1018752846.db2.gz WYLXRGWVXVEUHR-KGLIPLIRSA-N 1 0 305.422 3.588 20 5 DHBDRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765313943 1018752888 /nfs/dbraw/zinc/75/28/88/1018752888.db2.gz WYLXRGWVXVEUHR-ZIAGYGMSSA-N 1 0 305.422 3.588 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000921815940 1018898982 /nfs/dbraw/zinc/89/89/82/1018898982.db2.gz CNJVHCZGEGPTJP-PQEBFOHHSA-N 1 0 318.417 3.759 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CCO)CCCC1)CCC2 ZINC000278626768 1018951351 /nfs/dbraw/zinc/95/13/51/1018951351.db2.gz GPWUJVKCEJGDNT-QGZVFWFLSA-N 1 0 318.417 3.505 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000922970082 1018955017 /nfs/dbraw/zinc/95/50/17/1018955017.db2.gz ZQBGELDYLFLQSB-WUTVXBCWSA-N 1 0 316.401 3.689 20 5 DHBDRO CCCC[NH+](CCCC)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000052870258 1019016920 /nfs/dbraw/zinc/01/69/20/1019016920.db2.gz ACIHNBXFCPXVCO-UHFFFAOYSA-N 1 0 321.421 3.744 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCNc3ccccc32)c1 ZINC000278668163 1019017953 /nfs/dbraw/zinc/01/79/53/1019017953.db2.gz JCNUGCGZHYEJRX-GOSISDBHSA-N 1 0 311.385 3.674 20 5 DHBDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000282316061 1019022342 /nfs/dbraw/zinc/02/23/42/1019022342.db2.gz UDCSBZBJDOIZLU-OFQRWUPVSA-N 1 0 306.406 3.759 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000573153061 1019029386 /nfs/dbraw/zinc/02/93/86/1019029386.db2.gz QHXJWTOJILBZOQ-UHFFFAOYSA-N 1 0 318.348 3.683 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1ccccc1[N+](=O)[O-] ZINC000921968036 1019232918 /nfs/dbraw/zinc/23/29/18/1019232918.db2.gz VZQPBLZYPLECRF-QWHCGFSZSA-N 1 0 312.369 3.769 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)cccc1[N+](=O)[O-] ZINC000922048696 1019363855 /nfs/dbraw/zinc/36/38/55/1019363855.db2.gz LIJHTAZYZRAKBO-GFCCVEGCSA-N 1 0 312.369 3.516 20 5 DHBDRO CCC1(O)CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611327779 1019445441 /nfs/dbraw/zinc/44/54/41/1019445441.db2.gz UAQYQVGRWXKZLZ-CBCUQQMYSA-N 1 0 306.406 3.638 20 5 DHBDRO Cc1cccc2c1CC[C@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000611335726 1019448190 /nfs/dbraw/zinc/44/81/90/1019448190.db2.gz QBNBRSDZADWYRW-GOSISDBHSA-N 1 0 312.369 3.559 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336812 1019448309 /nfs/dbraw/zinc/44/83/09/1019448309.db2.gz MFECZPGXHCIIGK-CJNGLKHVSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000611370314 1019456545 /nfs/dbraw/zinc/45/65/45/1019456545.db2.gz XTNLSBYLSWTMIF-OCCSQVGLSA-N 1 0 317.414 3.904 20 5 DHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000611370315 1019457492 /nfs/dbraw/zinc/45/74/92/1019457492.db2.gz XTNLSBYLSWTMIF-TZMCWYRMSA-N 1 0 317.414 3.904 20 5 DHBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750053920 1019582823 /nfs/dbraw/zinc/58/28/23/1019582823.db2.gz AGVIORIPGPXWSI-JKSUJKDBSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1c([C@@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000480552813 1019747423 /nfs/dbraw/zinc/74/74/23/1019747423.db2.gz KLYOJVRHFOVQPI-QAPCUYQASA-N 1 0 319.449 3.674 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000315801818 1019872438 /nfs/dbraw/zinc/87/24/38/1019872438.db2.gz UBMARVFKXFPKEZ-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000158912908 1019922435 /nfs/dbraw/zinc/92/24/35/1019922435.db2.gz GVOSSDYANPBYPT-OAHLLOKOSA-N 1 0 302.761 3.505 20 5 DHBDRO O=[N+]([O-])c1ccccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000068836725 1019931321 /nfs/dbraw/zinc/93/13/21/1019931321.db2.gz OQEYFPGQLKYKMP-HNNXBMFYSA-N 1 0 317.414 3.905 20 5 DHBDRO Cc1c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000922421238 1020065233 /nfs/dbraw/zinc/06/52/33/1020065233.db2.gz RINUAAGLMQNGRY-LQDVMPOASA-N 1 0 306.431 3.667 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1OC ZINC000922620718 1020164435 /nfs/dbraw/zinc/16/44/35/1020164435.db2.gz XARYCWVXEKPYQW-INIZCTEOSA-N 1 0 318.348 3.983 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1OC ZINC000922620687 1020165069 /nfs/dbraw/zinc/16/50/69/1020165069.db2.gz WNQGEIHQVDKTHN-INIZCTEOSA-N 1 0 318.348 3.983 20 5 DHBDRO CC[C@@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000124333592 1020167883 /nfs/dbraw/zinc/16/78/83/1020167883.db2.gz YDKXDLOOVFTXHA-CQSZACIVSA-N 1 0 320.414 3.574 20 5 DHBDRO CC[C@H](C)C[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000732183877 1020208851 /nfs/dbraw/zinc/20/88/51/1020208851.db2.gz ULQGZLZBJFLXHX-JTQLQIEISA-N 1 0 309.391 3.807 20 5 DHBDRO CCS[C@H]1CCCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000732571786 1020253513 /nfs/dbraw/zinc/25/35/13/1020253513.db2.gz YXAVZQPJXUSABR-AWEZNQCLSA-N 1 0 312.410 3.842 20 5 DHBDRO CCCC[NH+]1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122965593 1020333267 /nfs/dbraw/zinc/33/32/67/1020333267.db2.gz DJEBNMJBGKWEMX-CQSZACIVSA-N 1 0 305.422 3.510 20 5 DHBDRO CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1CC1 ZINC000125625370 1020334233 /nfs/dbraw/zinc/33/42/33/1020334233.db2.gz AQCZNPARVCELBV-UHFFFAOYSA-N 1 0 317.414 3.950 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000126059454 1020372389 /nfs/dbraw/zinc/37/23/89/1020372389.db2.gz GWEIRGXUXJSASV-KRWDZBQOSA-N 1 0 312.369 3.771 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000161986099 1020437734 /nfs/dbraw/zinc/43/77/34/1020437734.db2.gz BNWXULUQFVOXRR-NXOAAHMSSA-N 1 0 318.417 3.839 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000480622293 1020464712 /nfs/dbraw/zinc/46/47/12/1020464712.db2.gz GFSOJXMNKBBDFV-FMKPAKJESA-N 1 0 319.449 3.817 20 5 DHBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000411892665 1020623863 /nfs/dbraw/zinc/62/38/63/1020623863.db2.gz MVAHOFKEAJWLLN-RZAIGCCYSA-N 1 0 312.369 3.558 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000612580697 1020627982 /nfs/dbraw/zinc/62/79/82/1020627982.db2.gz WJWPXYLCBJGCJF-MRXNPFEDSA-N 1 0 306.406 3.588 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCCC(=O)OC(C)(C)C ZINC000612581405 1020628855 /nfs/dbraw/zinc/62/88/55/1020628855.db2.gz UQTOOILTUYOSMS-UHFFFAOYSA-N 1 0 322.405 3.505 20 5 DHBDRO CO[C@](C)([C@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000411963928 1020638814 /nfs/dbraw/zinc/63/88/14/1020638814.db2.gz CRLUZZRGHVPHDF-ZUZCIYMTSA-N 1 0 312.797 3.541 20 5 DHBDRO CCCCC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000734829746 1020666778 /nfs/dbraw/zinc/66/67/78/1020666778.db2.gz XNZVJHIIEKBDNZ-UHFFFAOYSA-N 1 0 304.394 3.803 20 5 DHBDRO COc1cc(C[NH2+]CC2CCCCCCC2)c([N+](=O)[O-])cc1O ZINC000725846386 1020704750 /nfs/dbraw/zinc/70/47/50/1020704750.db2.gz CFMJVDPGKVAOFJ-UHFFFAOYSA-N 1 0 322.405 3.759 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000414180181 1020969321 /nfs/dbraw/zinc/96/93/21/1020969321.db2.gz LASCXDXQPVFPME-WFASDCNBSA-N 1 0 321.421 3.726 20 5 DHBDRO C[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276269683 1021142786 /nfs/dbraw/zinc/14/27/86/1021142786.db2.gz ZJRVJEKPWRQYTL-TUAOUCFPSA-N 1 0 316.361 3.579 20 5 DHBDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538020852 1032977442 /nfs/dbraw/zinc/97/74/42/1032977442.db2.gz JBUNVTTXZZDLNS-WFASDCNBSA-N 1 0 320.414 3.657 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1Cc3ccccc31)CCC2 ZINC000618567694 1021425877 /nfs/dbraw/zinc/42/58/77/1021425877.db2.gz CBKGCMLJYFYPEY-BEFAXECRSA-N 1 0 308.381 3.902 20 5 DHBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538020850 1032979638 /nfs/dbraw/zinc/97/96/38/1032979638.db2.gz JBUNVTTXZZDLNS-IUODEOHRSA-N 1 0 320.414 3.657 20 5 DHBDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000850343650 1021480724 /nfs/dbraw/zinc/48/07/24/1021480724.db2.gz XNAQHWFEALNVBB-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000850350855 1021483452 /nfs/dbraw/zinc/48/34/52/1021483452.db2.gz VKUAHTGXJQVHCQ-CYBMUJFWSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCO2 ZINC000850442589 1021537127 /nfs/dbraw/zinc/53/71/27/1021537127.db2.gz NAHGJXOOJWCWEB-ZDUSSCGKSA-N 1 0 312.369 3.771 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](O)c3ccccc31)CCC2 ZINC000850527178 1021580551 /nfs/dbraw/zinc/58/05/51/1021580551.db2.gz UTLRVPSRPLNIDE-QYZOEREBSA-N 1 0 324.380 3.740 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1SCCS1)CCC2 ZINC000850569226 1021612846 /nfs/dbraw/zinc/61/28/46/1021612846.db2.gz XMYDJRKYZGDQHQ-AWEZNQCLSA-N 1 0 324.471 3.758 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC(C(F)(F)F)CC2)cs1 ZINC000037563005 1021839905 /nfs/dbraw/zinc/83/99/05/1021839905.db2.gz XEQSLUCAMDIKDK-UHFFFAOYSA-N 1 0 308.325 3.867 20 5 DHBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccsc2)ccc1[N+](=O)[O-] ZINC000619782635 1021897338 /nfs/dbraw/zinc/89/73/38/1021897338.db2.gz HGSDMEYHBUAJFT-NSHDSACASA-N 1 0 306.387 3.906 20 5 DHBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000170796180 1021991069 /nfs/dbraw/zinc/99/10/69/1021991069.db2.gz HZVFWUVUTNGRGC-UHFFFAOYSA-N 1 0 321.424 3.506 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183229065 1022040909 /nfs/dbraw/zinc/04/09/09/1022040909.db2.gz DDWZMHDRADFLHZ-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000183245454 1022056227 /nfs/dbraw/zinc/05/62/27/1022056227.db2.gz XOLSADIXIMZYKF-UHFFFAOYSA-N 1 0 324.380 3.898 20 5 DHBDRO Cn1cnc2cc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000341319052 1022091979 /nfs/dbraw/zinc/09/19/79/1022091979.db2.gz YITZYFSUPHXWQW-UHFFFAOYSA-N 1 0 324.384 3.506 20 5 DHBDRO CC(C)CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776580749 1022100907 /nfs/dbraw/zinc/10/09/07/1022100907.db2.gz ZQMYDNOQHMATGO-SFHVURJKSA-N 1 0 320.433 3.919 20 5 DHBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C[C@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001168784654 1022101507 /nfs/dbraw/zinc/10/15/07/1022101507.db2.gz FYNXTCVWJLQQEO-MRXNPFEDSA-N 1 0 317.433 3.529 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1F ZINC000852594139 1022144997 /nfs/dbraw/zinc/14/49/97/1022144997.db2.gz AASVSGBRFSWOGE-PBHICJAKSA-N 1 0 322.380 3.515 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cccc1C(F)(F)F ZINC001168979537 1022197706 /nfs/dbraw/zinc/19/77/06/1022197706.db2.gz ZDAHVCZNUHLRPK-AAEUAGOBSA-N 1 0 316.323 3.549 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2F)C2CCC2)C1 ZINC001168984689 1022198909 /nfs/dbraw/zinc/19/89/09/1022198909.db2.gz QAFULNKYJWTOMR-SUYBPPKGSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3cccs3)c2)C1 ZINC001168985273 1022199857 /nfs/dbraw/zinc/19/98/57/1022199857.db2.gz SRCLNWRDQCEXIO-HOCLYGCPSA-N 1 0 316.426 3.950 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001168973512 1022205618 /nfs/dbraw/zinc/20/56/18/1022205618.db2.gz OWGPLCBSYWIAFU-MISXGVKJSA-N 1 0 316.323 3.801 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C1 ZINC001169002710 1022209880 /nfs/dbraw/zinc/20/98/80/1022209880.db2.gz LYFGGOSZMJOYSN-WBAXXEDZSA-N 1 0 302.418 3.953 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2F)C1 ZINC001168997528 1022209953 /nfs/dbraw/zinc/20/99/53/1022209953.db2.gz CWEUXLAKEGBXHM-KEYYUXOJSA-N 1 0 306.381 3.702 20 5 DHBDRO CCN(c1ccc(Nc2cc[nH]c(=O)c2[N+](=O)[O-])cc1)C(C)C ZINC000853085046 1022218434 /nfs/dbraw/zinc/21/84/34/1022218434.db2.gz DBINYMPHLLPVPF-UHFFFAOYSA-N 1 0 316.361 3.674 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3Cl)CCC2)C1 ZINC001168990703 1022219012 /nfs/dbraw/zinc/21/90/12/1022219012.db2.gz DLXQZCBMSTWOHZ-OLZOCXBDSA-N 1 0 308.809 3.754 20 5 DHBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169032928 1022219355 /nfs/dbraw/zinc/21/93/55/1022219355.db2.gz AAAJEVDIHUXJMO-LESCRADOSA-N 1 0 318.417 3.668 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)C1 ZINC001169033308 1022220208 /nfs/dbraw/zinc/22/02/08/1022220208.db2.gz BUFNJMKWNTZNRP-GRYCIOLGSA-N 1 0 314.838 3.984 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC001169035498 1022221995 /nfs/dbraw/zinc/22/19/95/1022221995.db2.gz BNRAWXFRZCYBGO-NXHRZFHOSA-N 1 0 302.418 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccccc3Cl)CC2)C1 ZINC001169039111 1022222052 /nfs/dbraw/zinc/22/20/52/1022222052.db2.gz NDFIOWKZPUXWFJ-UKRRQHHQSA-N 1 0 322.836 3.965 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Sc3ccccc3)CC2)C1 ZINC001169039969 1022225120 /nfs/dbraw/zinc/22/51/20/1022225120.db2.gz WLIWZDHJDBLYAO-LSDHHAIUSA-N 1 0 320.458 3.689 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2c(F)cccc2F)C1 ZINC001169046327 1022229177 /nfs/dbraw/zinc/22/91/77/1022229177.db2.gz KNNAMVYTQGFPSI-LALPHHSUSA-N 1 0 310.344 3.547 20 5 DHBDRO CCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000173398057 1033044432 /nfs/dbraw/zinc/04/44/32/1033044432.db2.gz HGXANOAGGNVHMV-GFCCVEGCSA-N 1 0 318.348 3.983 20 5 DHBDRO CCC[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609598778 1022312363 /nfs/dbraw/zinc/31/23/63/1022312363.db2.gz DVTKVSNQMWQTPL-LLVKDONJSA-N 1 0 305.403 3.997 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000609805239 1022356710 /nfs/dbraw/zinc/35/67/10/1022356710.db2.gz YLIWGRIMUSHEFT-CQSZACIVSA-N 1 0 300.383 3.840 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1Cc2ccccc2C1)C1CC1 ZINC000184008361 1022632986 /nfs/dbraw/zinc/63/29/86/1022632986.db2.gz HWGXNUBNBMHUEW-IBGZPJMESA-N 1 0 322.408 3.673 20 5 DHBDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000767195613 1022661265 /nfs/dbraw/zinc/66/12/65/1022661265.db2.gz MYKAFHBOPRSBLW-HZPDHXFCSA-N 1 0 324.808 3.543 20 5 DHBDRO CC(C)(CCCO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318353 1022673870 /nfs/dbraw/zinc/67/38/70/1022673870.db2.gz YNPILJZLHHDLIO-KRWDZBQOSA-N 1 0 320.433 3.751 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cscn1)CCCC2 ZINC000417316133 1022674208 /nfs/dbraw/zinc/67/42/08/1022674208.db2.gz TXRHTFXWBUXZML-INIZCTEOSA-N 1 0 317.414 3.651 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856805734 1022871314 /nfs/dbraw/zinc/87/13/14/1022871314.db2.gz UKEPXAANTDOXIC-NSHDSACASA-N 1 0 303.189 3.577 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856806153 1022872610 /nfs/dbraw/zinc/87/26/10/1022872610.db2.gz BAHNHJKZOXSJTE-KTLBGCOUSA-N 1 0 315.200 3.782 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c(Cl)c1 ZINC000856805271 1022873051 /nfs/dbraw/zinc/87/30/51/1022873051.db2.gz LVWGDHUILQREEC-VIFPVBQESA-N 1 0 323.607 3.922 20 5 DHBDRO COC1CCC([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000341501960 1022875311 /nfs/dbraw/zinc/87/53/11/1022875311.db2.gz UNQRFYAZDMWRRK-UHFFFAOYSA-N 1 0 312.797 3.638 20 5 DHBDRO CCOc1cc(CN(CC)CCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000617196034 1022887281 /nfs/dbraw/zinc/88/72/81/1022887281.db2.gz AXDQGHPVRQMPFB-UHFFFAOYSA-N 1 0 320.311 3.768 20 5 DHBDRO COc1c(C)cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000110296438 1022937123 /nfs/dbraw/zinc/93/71/23/1022937123.db2.gz MWHMCYCAEJILRI-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])ccc1Cl ZINC001167752580 1023034292 /nfs/dbraw/zinc/03/42/92/1023034292.db2.gz WKGZMTWPDFPBJS-LBPRGKRZSA-N 1 0 311.813 3.925 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cscn1 ZINC000566689013 1023149533 /nfs/dbraw/zinc/14/95/33/1023149533.db2.gz HZSBRYRAIVJULJ-NEPJUHHUSA-N 1 0 305.403 3.723 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000382154523 1023184756 /nfs/dbraw/zinc/18/47/56/1023184756.db2.gz OPUYRYOVGGNYLF-ADNDVJRGSA-N 1 0 318.417 3.908 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000769795512 1023215280 /nfs/dbraw/zinc/21/52/80/1023215280.db2.gz KVBHXOBAQALPDN-SNVBAGLBSA-N 1 0 316.386 3.692 20 5 DHBDRO Cc1cc(NCC2CC[NH+](C3CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000770177194 1023282354 /nfs/dbraw/zinc/28/23/54/1023282354.db2.gz FDBLVTHCRDCNSJ-UHFFFAOYSA-N 1 0 323.824 3.843 20 5 DHBDRO CC(C)([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000785605126 1023594150 /nfs/dbraw/zinc/59/41/50/1023594150.db2.gz CJUVXQLSQNANKT-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000111384315 1023696415 /nfs/dbraw/zinc/69/64/15/1023696415.db2.gz WRIDRUXXWBUQTG-MRXNPFEDSA-N 1 0 320.414 3.574 20 5 DHBDRO CC(C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000541643637 1023758309 /nfs/dbraw/zinc/75/83/09/1023758309.db2.gz CZNIJERSWAXOPL-UHFFFAOYSA-N 1 0 306.387 3.560 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1ccnc3ccccc13)C2 ZINC000538725523 1033160707 /nfs/dbraw/zinc/16/07/07/1033160707.db2.gz ASPQJUMQYXCMPG-UHFFFAOYSA-N 1 0 319.364 3.701 20 5 DHBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000746662540 1023774305 /nfs/dbraw/zinc/77/43/05/1023774305.db2.gz DCMCWUNQEBCBCO-UHFFFAOYSA-N 1 0 316.788 3.847 20 5 DHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000787308496 1023785992 /nfs/dbraw/zinc/78/59/92/1023785992.db2.gz SEDSLYPLNJMGHG-ZFWWWQNUSA-N 1 0 312.410 3.888 20 5 DHBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000788464766 1023888556 /nfs/dbraw/zinc/88/85/56/1023888556.db2.gz NXNGOJNRTMXOBA-BMGDILEWSA-N 1 0 320.433 3.823 20 5 DHBDRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562134 1023905622 /nfs/dbraw/zinc/90/56/22/1023905622.db2.gz JHTVODVFVANXLM-RYUDHWBXSA-N 1 0 317.364 3.598 20 5 DHBDRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562129 1023905754 /nfs/dbraw/zinc/90/57/54/1023905754.db2.gz JHTVODVFVANXLM-NEPJUHHUSA-N 1 0 317.364 3.598 20 5 DHBDRO C[C@H]([NH2+]CCCc1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788691926 1023920327 /nfs/dbraw/zinc/92/03/27/1023920327.db2.gz NINVSXQSANIZNR-NSHDSACASA-N 1 0 305.403 3.522 20 5 DHBDRO CSCCCCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788739745 1023933249 /nfs/dbraw/zinc/93/32/49/1023933249.db2.gz OIMNVHGDHODFEC-GFCCVEGCSA-N 1 0 311.451 3.751 20 5 DHBDRO CCC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876885407 1033176211 /nfs/dbraw/zinc/17/62/11/1033176211.db2.gz OXFQFVROPFSXJN-DQPZFDDXSA-N 1 0 314.389 3.626 20 5 DHBDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268895580 1024188783 /nfs/dbraw/zinc/18/87/83/1024188783.db2.gz OZQMMUJSMNTCPJ-NWDGAFQWSA-N 1 0 320.414 3.745 20 5 DHBDRO CC(C)c1c[nH]c(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000883018063 1024211984 /nfs/dbraw/zinc/21/19/84/1024211984.db2.gz MPUCUYAIYCCKQS-UHFFFAOYSA-N 1 0 316.405 3.554 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCc2ccns2)cc1[N+](=O)[O-] ZINC000883241856 1024314135 /nfs/dbraw/zinc/31/41/35/1024314135.db2.gz MREPYNUISOWIEY-UHFFFAOYSA-N 1 0 305.403 3.507 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 ZINC000270500089 1024397861 /nfs/dbraw/zinc/39/78/61/1024397861.db2.gz NPXXKHNLUZAKOQ-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CCC[C@H]([NH2+]C1CCC2(COC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000883378575 1024411471 /nfs/dbraw/zinc/41/14/71/1024411471.db2.gz RCPPYAJBRXDXSI-KRWDZBQOSA-N 1 0 318.417 3.985 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000568979689 1024446038 /nfs/dbraw/zinc/44/60/38/1024446038.db2.gz RLKJGUOSXJCHCR-MRXNPFEDSA-N 1 0 314.360 3.766 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000453309916 1024456443 /nfs/dbraw/zinc/45/64/43/1024456443.db2.gz FCANKWHRSURZQD-HUUCEWRRSA-N 1 0 318.417 3.903 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cnc(C3CC3)o1)CCC2 ZINC000453338906 1024469229 /nfs/dbraw/zinc/46/92/29/1024469229.db2.gz CSEBRWHFENASSQ-MRXNPFEDSA-N 1 0 313.357 3.627 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271433059 1024504467 /nfs/dbraw/zinc/50/44/67/1024504467.db2.gz DJMFZZGKLSAOLR-DUVNUKRYSA-N 1 0 306.406 3.839 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453409276 1024504818 /nfs/dbraw/zinc/50/48/18/1024504818.db2.gz RELYDQBZFWOESA-YSVLISHTSA-N 1 0 306.406 3.902 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000271569364 1024543474 /nfs/dbraw/zinc/54/34/74/1024543474.db2.gz YYYVDVSFHYDZLO-PRXAMGSTSA-N 1 0 318.348 3.507 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000532202442 1024575287 /nfs/dbraw/zinc/57/52/87/1024575287.db2.gz CMSKSQKAPKTJAA-YJBOKZPZSA-N 1 0 319.449 3.674 20 5 DHBDRO CC[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001202602605 1024594633 /nfs/dbraw/zinc/59/46/33/1024594633.db2.gz HWXCATCWFYURME-GJZGRUSLSA-N 1 0 306.406 3.909 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)cc1F ZINC000283236993 1024613673 /nfs/dbraw/zinc/61/36/73/1024613673.db2.gz UNUQGEVGIILWKW-KRWDZBQOSA-N 1 0 300.333 3.975 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000348931364 1024651110 /nfs/dbraw/zinc/65/11/10/1024651110.db2.gz AWHSAAVBERRQFX-LYLYKKCESA-N 1 0 309.369 3.840 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCCCCC2)c([N+](=O)[O-])c1 ZINC001170293991 1024727026 /nfs/dbraw/zinc/72/70/26/1024727026.db2.gz OAGNTLCUAFMFJM-CYBMUJFWSA-N 1 0 306.406 3.847 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]CC2CCCCC2)c([N+](=O)[O-])c1 ZINC001170295844 1024727136 /nfs/dbraw/zinc/72/71/36/1024727136.db2.gz WGDKWZPBNJDBPZ-ZDUSSCGKSA-N 1 0 306.406 3.704 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170295856 1024727795 /nfs/dbraw/zinc/72/77/95/1024727795.db2.gz WNKGMTPOMYVBCZ-OWYJLGKBSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(F)CCCCC2)c([N+](=O)[O-])c1 ZINC001170299729 1024729984 /nfs/dbraw/zinc/72/99/84/1024729984.db2.gz VQHOOHSXCLQBGY-CYBMUJFWSA-N 1 0 324.396 3.796 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(C)CCCC2)c([N+](=O)[O-])c1 ZINC001170299017 1024730043 /nfs/dbraw/zinc/73/00/43/1024730043.db2.gz PPDZWYVCWBETMQ-CYBMUJFWSA-N 1 0 306.406 3.704 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC23CCCCC3)c([N+](=O)[O-])c1 ZINC001170318935 1024740703 /nfs/dbraw/zinc/74/07/03/1024740703.db2.gz SVMJWEBYYFRWOY-DYVFJYSZSA-N 1 0 318.417 3.847 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170328999 1024746333 /nfs/dbraw/zinc/74/63/33/1024746333.db2.gz MVSZZFNQBVBXFZ-CQSZACIVSA-N 1 0 314.385 3.666 20 5 DHBDRO CC[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170353608 1024748370 /nfs/dbraw/zinc/74/83/70/1024748370.db2.gz ZXYCLSMDARBLAJ-KGLIPLIRSA-N 1 0 306.406 3.656 20 5 DHBDRO CC[C@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352790 1024749224 /nfs/dbraw/zinc/74/92/24/1024749224.db2.gz QGXPRGNHOOCBNH-ZFWWWQNUSA-N 1 0 306.406 3.799 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH+]2CC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC001170352594 1024749267 /nfs/dbraw/zinc/74/92/67/1024749267.db2.gz OGDZXLKWWYRMMW-CQSZACIVSA-N 1 0 318.417 3.801 20 5 DHBDRO CCC[N@H+](CC(C)C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355297 1024750221 /nfs/dbraw/zinc/75/02/21/1024750221.db2.gz ZFHFLQPJHDADMB-AWEZNQCLSA-N 1 0 308.422 3.902 20 5 DHBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC001170345210 1024757558 /nfs/dbraw/zinc/75/75/58/1024757558.db2.gz HYZUKHHTTRVDFH-LBPRGKRZSA-N 1 0 320.414 3.728 20 5 DHBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279176957 1024775152 /nfs/dbraw/zinc/77/51/52/1024775152.db2.gz VGFXQKMCDVULGU-MLGOLLRUSA-N 1 0 320.433 3.704 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000279196614 1024784668 /nfs/dbraw/zinc/78/46/68/1024784668.db2.gz XAIZXZQNAIDVDA-SJKOYZFVSA-N 1 0 318.417 3.722 20 5 DHBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879190 1024821413 /nfs/dbraw/zinc/82/14/13/1024821413.db2.gz FRBFCSVDLXBYHH-FZMZJTMJSA-N 1 0 307.350 3.514 20 5 DHBDRO Cc1csc(C(C)(C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000116382785 1024858154 /nfs/dbraw/zinc/85/81/54/1024858154.db2.gz QFKVLIKGHMCKAG-SOFGYWHQSA-N 1 0 317.414 3.898 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000793242387 1024961543 /nfs/dbraw/zinc/96/15/43/1024961543.db2.gz QHJKTSJVYKZGCN-QZTJIDSGSA-N 1 0 314.385 3.587 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)cs1 ZINC000279769670 1025231168 /nfs/dbraw/zinc/23/11/68/1025231168.db2.gz KCNLXHMAPIXKTQ-CQSZACIVSA-N 1 0 306.362 3.963 20 5 DHBDRO CC[N+](C)(C)Cc1ccccc1NCc1cccc2cn(C)nc21 ZINC001168199192 1025251972 /nfs/dbraw/zinc/25/19/72/1025251972.db2.gz ORWGKUDQBDOVCD-UHFFFAOYSA-N 1 0 323.464 3.782 20 5 DHBDRO COc1cc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000353884236 1025279447 /nfs/dbraw/zinc/27/94/47/1025279447.db2.gz WIBUCUFZIHWPIH-STQMWFEESA-N 1 0 322.405 3.623 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000804423064 1025289014 /nfs/dbraw/zinc/28/90/14/1025289014.db2.gz FNHLYYHZUNJWOI-UHFFFAOYSA-N 1 0 315.720 3.573 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000804472153 1025319517 /nfs/dbraw/zinc/31/95/17/1025319517.db2.gz UETIMVGOGXSHNH-CQSZACIVSA-N 1 0 323.824 3.703 20 5 DHBDRO Cc1c(F)cnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001170453902 1025330539 /nfs/dbraw/zinc/33/05/39/1025330539.db2.gz PUPWEUVOSQNAKT-UHFFFAOYSA-N 1 0 324.400 3.501 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccc(C(F)F)nc1)c1ccccc1[N+](=O)[O-] ZINC000897460101 1025358085 /nfs/dbraw/zinc/35/80/85/1025358085.db2.gz PZEXIJZIWQQWHG-LLVKDONJSA-N 1 0 321.327 3.821 20 5 DHBDRO C[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000897464045 1025367183 /nfs/dbraw/zinc/36/71/83/1025367183.db2.gz JUNRHNQEJHQAFC-YOEHRIQHSA-N 1 0 318.417 3.637 20 5 DHBDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000015300584 1025373866 /nfs/dbraw/zinc/37/38/66/1025373866.db2.gz CLNLWJMNBAZNEX-QGZVFWFLSA-N 1 0 312.369 3.941 20 5 DHBDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886014617 1025438627 /nfs/dbraw/zinc/43/86/27/1025438627.db2.gz LUOLCDDZUXDLHV-GFCCVEGCSA-N 1 0 319.792 3.706 20 5 DHBDRO CCCC[C@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572685004 1025464066 /nfs/dbraw/zinc/46/40/66/1025464066.db2.gz AVYDKOVDDJFERG-LBPRGKRZSA-N 1 0 318.377 3.655 20 5 DHBDRO Cc1ccc(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000354600781 1025464384 /nfs/dbraw/zinc/46/43/84/1025464384.db2.gz KNXHJBCXJCOFPM-UHFFFAOYSA-N 1 0 319.792 3.674 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC2(CCC2)C1 ZINC000886343037 1025597173 /nfs/dbraw/zinc/59/71/73/1025597173.db2.gz OVWZUDUOHALKKN-INIZCTEOSA-N 1 0 322.380 3.563 20 5 DHBDRO COC1CCC(C)(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000355143554 1025616080 /nfs/dbraw/zinc/61/60/80/1025616080.db2.gz BWDVITRDKVUJFQ-FNORWQNLSA-N 1 0 318.417 3.793 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C2CC2)no1 ZINC000886683088 1025781594 /nfs/dbraw/zinc/78/15/94/1025781594.db2.gz WYHVIAXJTBFTEF-LBPRGKRZSA-N 1 0 315.373 3.571 20 5 DHBDRO C[N@@H+](Cc1cc(=O)oc2ccc3ccccc3c12)C[C@H]1CCCO1 ZINC000076299938 1025867247 /nfs/dbraw/zinc/86/72/47/1025867247.db2.gz LVIPSDOGJWDICK-MRXNPFEDSA-N 1 0 323.392 3.557 20 5 DHBDRO C[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000886773910 1025889192 /nfs/dbraw/zinc/88/91/92/1025889192.db2.gz DIFTZPVIWLYMIT-YOEHRIQHSA-N 1 0 318.417 3.985 20 5 DHBDRO COc1c(Cl)cccc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000897483438 1025903945 /nfs/dbraw/zinc/90/39/45/1025903945.db2.gz PIAZLWRZZPDJAZ-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222899 1025955761 /nfs/dbraw/zinc/95/57/61/1025955761.db2.gz OUJJNDWEJXDCKS-OAHLLOKOSA-N 1 0 318.417 3.857 20 5 DHBDRO CC[C@@H](COC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237008254 1026042344 /nfs/dbraw/zinc/04/23/44/1026042344.db2.gz PQOAVNLCENMCDJ-LBPRGKRZSA-N 1 0 320.414 3.838 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000576399646 1026280962 /nfs/dbraw/zinc/28/09/62/1026280962.db2.gz YGCUWEUHRYQGPP-BXBOZWQASA-N 1 0 323.396 3.883 20 5 DHBDRO CC(C)CC1(C)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000808779782 1026390955 /nfs/dbraw/zinc/39/09/55/1026390955.db2.gz AGFZRJZOBSQHCK-QGZVFWFLSA-N 1 0 320.433 3.776 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000513483094 1026518688 /nfs/dbraw/zinc/51/86/88/1026518688.db2.gz AVHOERNMVHULDB-OAHLLOKOSA-N 1 0 300.333 3.723 20 5 DHBDRO COCC(C)(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809770174 1026605421 /nfs/dbraw/zinc/60/54/21/1026605421.db2.gz RUBGDNOUFTTZPV-UHFFFAOYSA-N 1 0 314.813 3.791 20 5 DHBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCSC1 ZINC000809965933 1026647623 /nfs/dbraw/zinc/64/76/23/1026647623.db2.gz QCHGDGRHVFUMMU-JTQLQIEISA-N 1 0 321.229 3.839 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH2+]Cc2ccccc21 ZINC000420292986 1026794373 /nfs/dbraw/zinc/79/43/73/1026794373.db2.gz MFHAGSAPKMGQLE-AWEZNQCLSA-N 1 0 311.385 3.574 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421366992 1026966352 /nfs/dbraw/zinc/96/63/52/1026966352.db2.gz ARGBEPNUICLWAS-ZFWWWQNUSA-N 1 0 320.458 3.649 20 5 DHBDRO CCOC(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811493295 1027011808 /nfs/dbraw/zinc/01/18/08/1027011808.db2.gz IAQOVZWBKPVGFG-UHFFFAOYSA-N 1 0 321.204 3.806 20 5 DHBDRO CCOCC(C)(C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000572518984 1027209323 /nfs/dbraw/zinc/20/93/23/1027209323.db2.gz UEQACQHGGGUEJD-NTEUORMPSA-N 1 0 306.406 3.650 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCSC1 ZINC000573719945 1027320804 /nfs/dbraw/zinc/32/08/04/1027320804.db2.gz MTGWBLPOBLYUQE-NRUITVPNSA-N 1 0 306.431 3.731 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812851052 1027448600 /nfs/dbraw/zinc/44/86/00/1027448600.db2.gz PSDQVJOMANTLGO-KSSFIOAISA-N 1 0 314.385 3.539 20 5 DHBDRO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852391 1027449956 /nfs/dbraw/zinc/44/99/56/1027449956.db2.gz FKFVOROCVMYRJH-WBMJQRKESA-N 1 0 320.414 3.600 20 5 DHBDRO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852388 1027450010 /nfs/dbraw/zinc/45/00/10/1027450010.db2.gz FKFVOROCVMYRJH-BLLLJJGKSA-N 1 0 320.414 3.600 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)cc1F ZINC000296001360 1027515063 /nfs/dbraw/zinc/51/50/63/1027515063.db2.gz PUVGTIPZMGCORW-HNNXBMFYSA-N 1 0 315.348 3.509 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000423362784 1027521635 /nfs/dbraw/zinc/52/16/35/1027521635.db2.gz YEVLDOSUHFRWPW-SGTLLEGYSA-N 1 0 311.385 3.905 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423419806 1027533800 /nfs/dbraw/zinc/53/38/00/1027533800.db2.gz WICCXIZWEUCDRA-CYBMUJFWSA-N 1 0 311.385 3.804 20 5 DHBDRO COc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000158646485 1027600244 /nfs/dbraw/zinc/60/02/44/1027600244.db2.gz SQJIBFLULLKREE-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1cccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000577475087 1027782246 /nfs/dbraw/zinc/78/22/46/1027782246.db2.gz TUPIQPDPHIOAOF-SFHVURJKSA-N 1 0 311.385 3.856 20 5 DHBDRO CCn1ccnc1[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000297056722 1027788778 /nfs/dbraw/zinc/78/87/78/1027788778.db2.gz VTSMXCZZRDQEOE-OLZOCXBDSA-N 1 0 302.378 3.531 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000563419686 1028039724 /nfs/dbraw/zinc/03/97/24/1028039724.db2.gz XYHCXGAZDVIYJS-INIZCTEOSA-N 1 0 300.333 3.819 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000601304038 1028067021 /nfs/dbraw/zinc/06/70/21/1028067021.db2.gz JLEJRKUYNGBPGH-VUCTXSBTSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000601304671 1028071002 /nfs/dbraw/zinc/07/10/02/1028071002.db2.gz ORINHEPHYAPORS-VUCTXSBTSA-N 1 0 304.390 3.593 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccncc2)C2CC2)ccc1Cl ZINC000934695579 1028077203 /nfs/dbraw/zinc/07/72/03/1028077203.db2.gz PGBDMAFCFVEGIR-MRXNPFEDSA-N 1 0 317.776 3.884 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CCCC2)CC1 ZINC000578263923 1028105350 /nfs/dbraw/zinc/10/53/50/1028105350.db2.gz AANRKEFBLWFKAW-UHFFFAOYSA-N 1 0 304.390 3.630 20 5 DHBDRO C[C@H](CCc1ccco1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058975 1028296855 /nfs/dbraw/zinc/29/68/55/1028296855.db2.gz NKBKVNRESVQSJS-ZIAGYGMSSA-N 1 0 302.374 3.730 20 5 DHBDRO C[C@H](Cc1cccs1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449076131 1028339924 /nfs/dbraw/zinc/33/99/24/1028339924.db2.gz SNZQQURFNPGKDQ-QWHCGFSZSA-N 1 0 304.415 3.808 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1cccs1 ZINC000449076130 1028341110 /nfs/dbraw/zinc/34/11/10/1028341110.db2.gz SNZQQURFNPGKDQ-OLZOCXBDSA-N 1 0 304.415 3.808 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)c(F)c1 ZINC000449099374 1028352338 /nfs/dbraw/zinc/35/23/38/1028352338.db2.gz SWRIJZRENNGUNI-LLVKDONJSA-N 1 0 306.312 3.594 20 5 DHBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579279487 1028370315 /nfs/dbraw/zinc/37/03/15/1028370315.db2.gz LUSFMYXYDFIOCP-MLGOLLRUSA-N 1 0 301.390 3.787 20 5 DHBDRO COCC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000579374406 1028396038 /nfs/dbraw/zinc/39/60/38/1028396038.db2.gz REDLTHJSMWIBDK-GJZGRUSLSA-N 1 0 316.357 3.543 20 5 DHBDRO Cc1cnc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449174040 1028414238 /nfs/dbraw/zinc/41/42/38/1028414238.db2.gz GZKMDQQQBVERNH-JQWIXIFHSA-N 1 0 305.403 3.642 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449237640 1028481016 /nfs/dbraw/zinc/48/10/16/1028481016.db2.gz OMCPWTGOCSQOHK-VXGBXAGGSA-N 1 0 319.430 3.684 20 5 DHBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369560535 1028502810 /nfs/dbraw/zinc/50/28/10/1028502810.db2.gz HIUHLWRCURRBFA-WBMJQRKESA-N 1 0 317.414 3.761 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CSc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582049 1028553775 /nfs/dbraw/zinc/55/37/75/1028553775.db2.gz WPIHUBGUJXUEHD-IINYFYTJSA-N 1 0 315.398 3.675 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000565219697 1028561746 /nfs/dbraw/zinc/56/17/46/1028561746.db2.gz YAELCHIUYXHBTG-PVUWLOKVSA-N 1 0 318.417 3.765 20 5 DHBDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600319 1028565170 /nfs/dbraw/zinc/56/51/70/1028565170.db2.gz QLWNZSLRXUHXCH-NEPJUHHUSA-N 1 0 314.389 3.546 20 5 DHBDRO CCCc1nc(C)c(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449338219 1028573350 /nfs/dbraw/zinc/57/33/50/1028573350.db2.gz FWLSFHQKAYRDCY-GFCCVEGCSA-N 1 0 317.389 3.565 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000449366032 1028576908 /nfs/dbraw/zinc/57/69/08/1028576908.db2.gz QUIFGCJJCZEYCM-CQSZACIVSA-N 1 0 314.410 3.882 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000565860960 1028645647 /nfs/dbraw/zinc/64/56/47/1028645647.db2.gz IJPXJAOXQHCCQJ-IBGZPJMESA-N 1 0 324.380 3.565 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C/C=C\c3ccncc3)C2)cc1 ZINC000449496269 1028709663 /nfs/dbraw/zinc/70/96/63/1028709663.db2.gz GLONTQKYXYMCKX-PFOXWKGBSA-N 1 0 323.396 3.883 20 5 DHBDRO CC(C)[C@H]1C[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449502751 1028720994 /nfs/dbraw/zinc/72/09/94/1028720994.db2.gz XACLSVTUCVCLMV-IIDMSEBBSA-N 1 0 320.433 3.567 20 5 DHBDRO CCc1nocc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449503848 1028723812 /nfs/dbraw/zinc/72/38/12/1028723812.db2.gz UXDFRUONKLHGEU-CQSZACIVSA-N 1 0 315.373 3.525 20 5 DHBDRO Cc1ncccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506717 1028728528 /nfs/dbraw/zinc/72/85/28/1028728528.db2.gz ZLKWTBXZXMZWDS-QGZVFWFLSA-N 1 0 311.385 3.678 20 5 DHBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449523971 1028751559 /nfs/dbraw/zinc/75/15/59/1028751559.db2.gz OZIDLQAPKPJNNK-NVXWUHKLSA-N 1 0 316.357 3.512 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000566807084 1028784735 /nfs/dbraw/zinc/78/47/35/1028784735.db2.gz CFPLVIOEEYSUDS-KCITZHQASA-N 1 0 306.365 3.510 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449681482 1028907368 /nfs/dbraw/zinc/90/73/68/1028907368.db2.gz LXXQWNBIWMHBAH-QWSHFYNQSA-N 1 0 316.401 3.501 20 5 DHBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567626352 1028929861 /nfs/dbraw/zinc/92/98/61/1028929861.db2.gz KPAQMBORBJYEHP-QBIMZIAESA-N 1 0 318.417 3.623 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000449731144 1028941566 /nfs/dbraw/zinc/94/15/66/1028941566.db2.gz HKQMCAXDZWBTIT-GPCFVJJQSA-N 1 0 318.442 3.827 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2cc(C)c(O)c(C)c2)cc1[N+](=O)[O-] ZINC000190398312 1028948899 /nfs/dbraw/zinc/94/88/99/1028948899.db2.gz WIZAESFJOTXLPX-UHFFFAOYSA-N 1 0 314.385 3.558 20 5 DHBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411131475 1029040370 /nfs/dbraw/zinc/04/03/70/1029040370.db2.gz JPZVTHQCKFDERB-DOTOQJQBSA-N 1 0 300.333 3.722 20 5 DHBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1F ZINC000568445157 1029070022 /nfs/dbraw/zinc/07/00/22/1029070022.db2.gz PXWBSZLABCUJPV-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000568612829 1029099493 /nfs/dbraw/zinc/09/94/93/1029099493.db2.gz GHVFBCAAOSDCPS-KRWDZBQOSA-N 1 0 318.348 3.854 20 5 DHBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc(C)n1 ZINC000817411895 1029152177 /nfs/dbraw/zinc/15/21/77/1029152177.db2.gz YPQQZNZHSBOLND-UHFFFAOYSA-N 1 0 305.765 3.550 20 5 DHBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000412033163 1029297638 /nfs/dbraw/zinc/29/76/38/1029297638.db2.gz CMSQOYLNZNGMSL-LBPRGKRZSA-N 1 0 315.373 3.870 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000570176414 1029325253 /nfs/dbraw/zinc/32/52/53/1029325253.db2.gz SDZOSFRPGDRLAB-GOSISDBHSA-N 1 0 321.380 3.896 20 5 DHBDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000570207534 1029331372 /nfs/dbraw/zinc/33/13/72/1029331372.db2.gz PQPXAIGDABEGSH-OAHLLOKOSA-N 1 0 313.401 3.808 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374806656 1029463738 /nfs/dbraw/zinc/46/37/38/1029463738.db2.gz MUFCOEFAANMEKX-SCLBCKFNSA-N 1 0 312.369 3.595 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCCC2CCCC2)c1 ZINC000819122991 1029492702 /nfs/dbraw/zinc/49/27/02/1029492702.db2.gz RRRRXUOMMGDIEI-QGZVFWFLSA-N 1 0 306.406 3.578 20 5 DHBDRO CC(C)OCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551334 1029910588 /nfs/dbraw/zinc/91/05/88/1029910588.db2.gz UIWNGYUHVXMAIL-INIZCTEOSA-N 1 0 306.406 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC23CCOCC3)c(Cl)c1 ZINC000865778582 1030020563 /nfs/dbraw/zinc/02/05/63/1030020563.db2.gz WSWHYBJRFZKZIB-ZDUSSCGKSA-N 1 0 324.808 3.545 20 5 DHBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865872468 1030072701 /nfs/dbraw/zinc/07/27/01/1030072701.db2.gz RZRGXEDVUVCBSX-NSHDSACASA-N 1 0 313.348 3.676 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451966714 1030074539 /nfs/dbraw/zinc/07/45/39/1030074539.db2.gz POUKIVDFJDMIJO-CJNGLKHVSA-N 1 0 306.431 3.875 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)nc1 ZINC000866239864 1030173205 /nfs/dbraw/zinc/17/32/05/1030173205.db2.gz VVIOFWIFGALWPZ-JTQLQIEISA-N 1 0 323.755 3.503 20 5 DHBDRO Cc1nc(C)c(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866273152 1030194639 /nfs/dbraw/zinc/19/46/39/1030194639.db2.gz FPVBMWQPPAAACF-SECBINFHSA-N 1 0 323.393 3.528 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCc3cccc(C)c32)cc1[N+](=O)[O-] ZINC000924842623 1030202587 /nfs/dbraw/zinc/20/25/87/1030202587.db2.gz SJTNYLDVDRXVRT-OAHLLOKOSA-N 1 0 312.369 3.689 20 5 DHBDRO CC[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000357844579 1030220081 /nfs/dbraw/zinc/22/00/81/1030220081.db2.gz FZJWBYXXHKGRAV-QGZVFWFLSA-N 1 0 319.449 3.758 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000866351837 1030246986 /nfs/dbraw/zinc/24/69/86/1030246986.db2.gz RVCNTUGNHNLQAU-GHMZBOCLSA-N 1 0 316.323 3.690 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000866394594 1030275552 /nfs/dbraw/zinc/27/55/52/1030275552.db2.gz WNVFCHJDMMWCQL-NOZJJQNGSA-N 1 0 316.323 3.546 20 5 DHBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866455213 1030304120 /nfs/dbraw/zinc/30/41/20/1030304120.db2.gz KBWQUJYSGBXNBP-ZJUUUORDSA-N 1 0 323.393 3.781 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(F)c1)CCCC2 ZINC000866475376 1030312232 /nfs/dbraw/zinc/31/22/32/1030312232.db2.gz XOEVJJMMRVQJPK-MRXNPFEDSA-N 1 0 315.348 3.686 20 5 DHBDRO O=[N+]([O-])c1ccccc1CN[C@H]1CCCc2c(Cl)ccnc21 ZINC000925311237 1030338770 /nfs/dbraw/zinc/33/87/70/1030338770.db2.gz RKISOMINBPQLLK-AWEZNQCLSA-N 1 0 317.776 3.810 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866528645 1030347190 /nfs/dbraw/zinc/34/71/90/1030347190.db2.gz HIKYEUAPUOFFME-GJZGRUSLSA-N 1 0 318.417 3.761 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000866612523 1030403302 /nfs/dbraw/zinc/40/33/02/1030403302.db2.gz KMOOODHYUZHYKP-SWLSCSKDSA-N 1 0 302.378 3.520 20 5 DHBDRO CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000291575525 1030554747 /nfs/dbraw/zinc/55/47/47/1030554747.db2.gz OGLMWLZOPCUETN-HNNXBMFYSA-N 1 0 306.406 3.683 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCC1CCOCC1 ZINC000824477053 1030560661 /nfs/dbraw/zinc/56/06/61/1030560661.db2.gz ADQFHUXCRVHDRK-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843435280 1030561848 /nfs/dbraw/zinc/56/18/48/1030561848.db2.gz RVGYHYNUZAMFEI-RDDDGLTNSA-N 1 0 321.229 3.885 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1(Cl)Cl ZINC000824765129 1030628417 /nfs/dbraw/zinc/62/84/17/1030628417.db2.gz HWCPVWWUEYAJPY-NSHDSACASA-N 1 0 323.607 3.922 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1(Cl)Cl ZINC000824771725 1030630656 /nfs/dbraw/zinc/63/06/56/1030630656.db2.gz COAHRKGWMOYGQA-LLVKDONJSA-N 1 0 323.607 3.922 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1(Cl)Cl ZINC000824771394 1030631053 /nfs/dbraw/zinc/63/10/53/1030631053.db2.gz BXEAXYXNONWTNA-NSHDSACASA-N 1 0 323.607 3.922 20 5 DHBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000291784100 1030642224 /nfs/dbraw/zinc/64/22/24/1030642224.db2.gz VGKHWWWORCRLHN-YMTOWFKASA-N 1 0 324.427 3.510 20 5 DHBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000291784093 1030642389 /nfs/dbraw/zinc/64/23/89/1030642389.db2.gz VGKHWWWORCRLHN-OTYXRUKQSA-N 1 0 324.427 3.510 20 5 DHBDRO CC(C)CCC[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558574103 1030655203 /nfs/dbraw/zinc/65/52/03/1030655203.db2.gz ALIBYWHBPBIRIG-AWEZNQCLSA-N 1 0 321.421 3.728 20 5 DHBDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000359558465 1031030660 /nfs/dbraw/zinc/03/06/60/1031030660.db2.gz OJTVDFYGBXGOOS-YVEFUNNKSA-N 1 0 315.373 3.748 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927030306 1031040754 /nfs/dbraw/zinc/04/07/54/1031040754.db2.gz HQMDDEDQTMRJAT-NFAWXSAZSA-N 1 0 308.447 3.790 20 5 DHBDRO C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927126739 1031107792 /nfs/dbraw/zinc/10/77/92/1031107792.db2.gz ZJYOWZJLWAGZDZ-QWHCGFSZSA-N 1 0 322.380 3.876 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000927124385 1031108738 /nfs/dbraw/zinc/10/87/38/1031108738.db2.gz KOXRMGLOTCJDAP-XJKSGUPXSA-N 1 0 316.401 3.664 20 5 DHBDRO Cc1ccncc1CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292746439 1031156495 /nfs/dbraw/zinc/15/64/95/1031156495.db2.gz HZUTYIAAITWSIP-UHFFFAOYSA-N 1 0 313.401 3.756 20 5 DHBDRO CC(C)[N@H+](CC[C@H]1CCCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000347392386 1031216110 /nfs/dbraw/zinc/21/61/10/1031216110.db2.gz LCBMRXYNYALYEF-QGZVFWFLSA-N 1 0 306.406 3.764 20 5 DHBDRO C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000844631094 1031260197 /nfs/dbraw/zinc/26/01/97/1031260197.db2.gz MNFRMKQLYJAGSX-BPNCWPANSA-N 1 0 300.761 3.950 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)CC2 ZINC000536677280 1031384800 /nfs/dbraw/zinc/38/48/00/1031384800.db2.gz IKIBCHOMUBJWHX-IEBWSBKVSA-N 1 0 308.381 3.757 20 5 DHBDRO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035586 1031420020 /nfs/dbraw/zinc/42/00/20/1031420020.db2.gz XIENAQMDRLSAAG-UONOGXRCSA-N 1 0 323.412 3.505 20 5 DHBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038674 1031421346 /nfs/dbraw/zinc/42/13/46/1031421346.db2.gz ORXZWRBDZCGDNC-KOLCDFICSA-N 1 0 321.352 3.621 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037719 1031421812 /nfs/dbraw/zinc/42/18/12/1031421812.db2.gz FNZGXYRMUHSJMK-IRHXVLAXSA-N 1 0 322.380 3.588 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000872041629 1031425589 /nfs/dbraw/zinc/42/55/89/1031425589.db2.gz VJTPJJVWKOMFPQ-BXUZGUMPSA-N 1 0 310.369 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000872042553 1031427747 /nfs/dbraw/zinc/42/77/47/1031427747.db2.gz CBDWGTZNUHYUCG-VXGBXAGGSA-N 1 0 324.446 3.782 20 5 DHBDRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050782 1031438876 /nfs/dbraw/zinc/43/88/76/1031438876.db2.gz FNAPONAZMPCUFA-SECBINFHSA-N 1 0 302.296 3.962 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053039 1031440657 /nfs/dbraw/zinc/44/06/57/1031440657.db2.gz WAMUKUSMSQGPPA-ZOWXZIJZSA-N 1 0 324.396 3.978 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536840128 1031451542 /nfs/dbraw/zinc/45/15/42/1031451542.db2.gz PZBSYJOZBUMNSP-NWDGAFQWSA-N 1 0 317.389 3.962 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060602 1031453801 /nfs/dbraw/zinc/45/38/01/1031453801.db2.gz RWOGTIVXIKRODU-FRRDWIJNSA-N 1 0 310.369 3.590 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872062424 1031456268 /nfs/dbraw/zinc/45/62/68/1031456268.db2.gz MQJCVXCRPDHVFX-MWLCHTKSSA-N 1 0 323.393 3.953 20 5 DHBDRO C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063575 1031458631 /nfs/dbraw/zinc/45/86/31/1031458631.db2.gz XSFGVJWRCRKKPR-QWHCGFSZSA-N 1 0 310.369 3.734 20 5 DHBDRO C[C@@H]([NH2+]CCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000536875339 1031463557 /nfs/dbraw/zinc/46/35/57/1031463557.db2.gz HSEZDUJWBLATSW-GFCCVEGCSA-N 1 0 320.776 3.978 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872072642 1031469834 /nfs/dbraw/zinc/46/98/34/1031469834.db2.gz HZSWWWZVYZEFCI-NEPJUHHUSA-N 1 0 316.332 3.561 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872073853 1031469954 /nfs/dbraw/zinc/46/99/54/1031469954.db2.gz WBUSXUHJYXSLCN-PRXAMGSTSA-N 1 0 318.348 3.507 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCCCO ZINC000872076323 1031471098 /nfs/dbraw/zinc/47/10/98/1031471098.db2.gz ZHEPMEJACQYBBQ-VXGBXAGGSA-N 1 0 312.435 3.518 20 5 DHBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872078838 1031475159 /nfs/dbraw/zinc/47/51/59/1031475159.db2.gz SPSNCRPZFCUGKA-GDLVEWKHSA-N 1 0 324.446 3.781 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872080062 1031477266 /nfs/dbraw/zinc/47/72/66/1031477266.db2.gz SKIGOEITZGFNSC-USBNGQNGSA-N 1 0 310.369 3.588 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000872083813 1031478992 /nfs/dbraw/zinc/47/89/92/1031478992.db2.gz ALCNRQDXXCHZQV-RYUDHWBXSA-N 1 0 322.430 3.679 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083481 1031479093 /nfs/dbraw/zinc/47/90/93/1031479093.db2.gz BMUTXYOIEAXVHE-DGCLKSJQSA-N 1 0 310.369 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000872084072 1031480881 /nfs/dbraw/zinc/48/08/81/1031480881.db2.gz GHIACKLZGBIKNS-QWRGUYRKSA-N 1 0 310.419 3.535 20 5 DHBDRO Cc1cnc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c(C)c1 ZINC000872084108 1031480899 /nfs/dbraw/zinc/48/08/99/1031480899.db2.gz PIRSRWKRJUCKJI-CYBMUJFWSA-N 1 0 317.364 3.639 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000872084073 1031481787 /nfs/dbraw/zinc/48/17/87/1031481787.db2.gz GHIACKLZGBIKNS-WDEREUQCSA-N 1 0 310.419 3.535 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088476 1031486491 /nfs/dbraw/zinc/48/64/91/1031486491.db2.gz OYGBMTGQMFYCBB-LDYMZIIASA-N 1 0 302.296 3.676 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000872090887 1031487330 /nfs/dbraw/zinc/48/73/30/1031487330.db2.gz FAZRXKILXCTWOB-FBKDDSFISA-N 1 0 310.419 3.533 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872260177 1031565123 /nfs/dbraw/zinc/56/51/23/1031565123.db2.gz KLKHDAYUZDWAIS-KRWDZBQOSA-N 1 0 304.390 3.518 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000873104799 1031712259 /nfs/dbraw/zinc/71/22/59/1031712259.db2.gz QZPPJTRBHNPTML-DZGCQCFKSA-N 1 0 306.406 3.506 20 5 DHBDRO Cc1c(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873122819 1031718175 /nfs/dbraw/zinc/71/81/75/1031718175.db2.gz VGXIEXYEAHDOAM-AGGWBTHJSA-N 1 0 306.406 3.587 20 5 DHBDRO C[C@@H](C[N+](C)(C)C)O[C@@H]1CCc2cc(Br)ccc21 ZINC001224013270 1031734387 /nfs/dbraw/zinc/73/43/87/1031734387.db2.gz XYTXZKNXQLQBQS-XHDPSFHLSA-N 1 0 313.259 3.548 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897746408 1031827458 /nfs/dbraw/zinc/82/74/58/1031827458.db2.gz HYOHRYDYGIKHNN-UKAJUAJCSA-N 1 0 304.415 3.598 20 5 DHBDRO Cc1ccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846039103 1031832883 /nfs/dbraw/zinc/83/28/83/1031832883.db2.gz UAXCGTOIUACTGS-ZIAGYGMSSA-N 1 0 300.761 3.698 20 5 DHBDRO CS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846180734 1031913890 /nfs/dbraw/zinc/91/38/90/1031913890.db2.gz VFUNJYBKVBUYQG-WDBKCZKBSA-N 1 0 309.435 3.502 20 5 DHBDRO CC[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@H](C)C(C)C ZINC000777955022 1032037750 /nfs/dbraw/zinc/03/77/50/1032037750.db2.gz SFYTXNMVSASTFF-CQSZACIVSA-N 1 0 316.405 3.782 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000877603634 1033376502 /nfs/dbraw/zinc/37/65/02/1033376502.db2.gz RKUKFBMKZGJUDQ-YJBOKZPZSA-N 1 0 318.417 3.603 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1Cc3ccccc3C1)CC2 ZINC001172897326 1033435151 /nfs/dbraw/zinc/43/51/51/1033435151.db2.gz ZGLPLBCOKGRMEZ-GOSISDBHSA-N 1 0 322.408 3.599 20 5 DHBDRO C[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903280 1033437132 /nfs/dbraw/zinc/43/71/32/1033437132.db2.gz GJXOYQUVZNYNLE-RHSMWYFYSA-N 1 0 302.418 3.964 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C[C@@H]3CCC[C@H]3C1)CC2 ZINC001172907909 1033440893 /nfs/dbraw/zinc/44/08/93/1033440893.db2.gz JLVLFRDRWXXMHU-YESZJQIVSA-N 1 0 300.402 3.574 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccn1 ZINC001172895397 1033462505 /nfs/dbraw/zinc/46/25/05/1033462505.db2.gz CLNCAZNUMONDCA-CJNGLKHVSA-N 1 0 311.385 3.588 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H](CF)C1)CC2 ZINC001172916528 1033465072 /nfs/dbraw/zinc/46/50/72/1033465072.db2.gz TXCOHBFKUBVYKL-CZUORRHYSA-N 1 0 306.381 3.524 20 5 DHBDRO CSC1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172912898 1033486379 /nfs/dbraw/zinc/48/63/79/1033486379.db2.gz COIHXXFVYGJDIE-OAHLLOKOSA-N 1 0 320.458 3.670 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)C(C)(C)C)c1F ZINC001173175146 1033581313 /nfs/dbraw/zinc/58/13/13/1033581313.db2.gz AKVSHEKCKLFFAU-WDEREUQCSA-N 1 0 312.385 3.698 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC001173192052 1033583476 /nfs/dbraw/zinc/58/34/76/1033583476.db2.gz HUTIWTZNPMHBJJ-FRRDWIJNSA-N 1 0 324.396 3.651 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC001173192056 1033583628 /nfs/dbraw/zinc/58/36/28/1033583628.db2.gz HUTIWTZNPMHBJJ-XQQFMLRXSA-N 1 0 324.396 3.651 20 5 DHBDRO CC[N@H+](CC(C)C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000153738878 1033591361 /nfs/dbraw/zinc/59/13/61/1033591361.db2.gz WOHHHCYNILLRJF-LBPRGKRZSA-N 1 0 318.377 3.684 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)ccc1F ZINC001173215543 1033597003 /nfs/dbraw/zinc/59/70/03/1033597003.db2.gz WPNFPSIYWPHRIK-NSHDSACASA-N 1 0 306.312 3.594 20 5 DHBDRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215557 1033597204 /nfs/dbraw/zinc/59/72/04/1033597204.db2.gz WSMCDYDOJUQLPC-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(F)cc1F ZINC001173220051 1033599465 /nfs/dbraw/zinc/59/94/65/1033599465.db2.gz SISDLCJIOXEVJA-GFCCVEGCSA-N 1 0 320.339 3.636 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001173219921 1033600531 /nfs/dbraw/zinc/60/05/31/1033600531.db2.gz RBWIEGQZINOIJC-KZULUSFZSA-N 1 0 314.360 3.942 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001173218590 1033600762 /nfs/dbraw/zinc/60/07/62/1033600762.db2.gz KUADYRICLKLFNC-OCBCSQNSSA-N 1 0 314.360 3.811 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC(F)C2)CC1 ZINC001173222470 1033603168 /nfs/dbraw/zinc/60/31/68/1033603168.db2.gz RYCCMWFHCDEIRM-ZDUSSCGKSA-N 1 0 306.381 3.740 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001173224255 1033603824 /nfs/dbraw/zinc/60/38/24/1033603824.db2.gz DDMOHYXSQJCQOK-SMDDNHRTSA-N 1 0 316.323 3.595 20 5 DHBDRO Cc1cccc2c1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173230414 1033604862 /nfs/dbraw/zinc/60/48/62/1033604862.db2.gz XXJZBFWGCWHQLH-OAHLLOKOSA-N 1 0 310.397 3.893 20 5 DHBDRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001173230641 1033605419 /nfs/dbraw/zinc/60/54/19/1033605419.db2.gz ZGLGRZCOAQDTQG-KBXCAEBGSA-N 1 0 313.401 3.908 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOc1ccccc1 ZINC001173228258 1033606055 /nfs/dbraw/zinc/60/60/55/1033606055.db2.gz UVGHAHQYFBWDNZ-OAHLLOKOSA-N 1 0 314.385 3.537 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ccn(C)c2c1 ZINC001173227423 1033606271 /nfs/dbraw/zinc/60/62/71/1033606271.db2.gz FMOXDHMTNZGCSZ-CQSZACIVSA-N 1 0 323.396 3.807 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(F)cc1 ZINC001173229404 1033606547 /nfs/dbraw/zinc/60/65/47/1033606547.db2.gz UGOMYSWZWQSFPQ-CYBMUJFWSA-N 1 0 302.349 3.797 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc2ccccc2n1C ZINC001173213482 1033614217 /nfs/dbraw/zinc/61/42/17/1033614217.db2.gz HVRANKWJQJBDMI-AWEZNQCLSA-N 1 0 323.396 3.807 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOc2ccccc21 ZINC001173212220 1033614542 /nfs/dbraw/zinc/61/45/42/1033614542.db2.gz XPGHUWNOBJFZCE-SUMWQHHRSA-N 1 0 312.369 3.639 20 5 DHBDRO CC[NH+](CC)[C@H](C)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000479479925 1033773497 /nfs/dbraw/zinc/77/34/97/1033773497.db2.gz MAELNNRNWGPQKZ-DYVFJYSZSA-N 1 0 319.449 3.637 20 5 DHBDRO CC1(C)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000173817787 1033883831 /nfs/dbraw/zinc/88/38/31/1033883831.db2.gz GQSDEDKTCHTUKA-UHFFFAOYSA-N 1 0 315.373 3.524 20 5 DHBDRO Cc1cncc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000879746614 1034106586 /nfs/dbraw/zinc/10/65/86/1034106586.db2.gz BSTGDZRDKUJMCO-GOSISDBHSA-N 1 0 311.385 3.944 20 5 DHBDRO Cc1cncc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000879747201 1034109594 /nfs/dbraw/zinc/10/95/94/1034109594.db2.gz KHAHCUUPDMBBCW-SFHVURJKSA-N 1 0 311.385 3.678 20 5 DHBDRO Cc1csc([C@@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880010430 1034183349 /nfs/dbraw/zinc/18/33/49/1034183349.db2.gz UEKLCQWLWFWZRN-GXTWGEPZSA-N 1 0 317.414 3.910 20 5 DHBDRO COc1ccccc1/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000480449458 1034253504 /nfs/dbraw/zinc/25/35/04/1034253504.db2.gz YXZOHUSZYHVALT-RMKNXTFCSA-N 1 0 312.369 3.715 20 5 DHBDRO C[C@@H](c1cccc(F)c1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554848575 1034371022 /nfs/dbraw/zinc/37/10/22/1034371022.db2.gz NQDQWDDHXVBSGR-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000183480918 1034390500 /nfs/dbraw/zinc/39/05/00/1034390500.db2.gz ODZNLGCOIDFTOD-UHFFFAOYSA-N 1 0 300.333 3.821 20 5 DHBDRO COC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000480687154 1034390583 /nfs/dbraw/zinc/39/05/83/1034390583.db2.gz DZNBKIUDGQFYCF-OAHLLOKOSA-N 1 0 320.433 3.855 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000183983673 1034432543 /nfs/dbraw/zinc/43/25/43/1034432543.db2.gz JICXQVKTSKFMHL-GDBMZVCRSA-N 1 0 306.406 3.903 20 5 DHBDRO CCn1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001174571780 1034486338 /nfs/dbraw/zinc/48/63/38/1034486338.db2.gz KXXLFTIONBPCGS-UHFFFAOYSA-N 1 0 303.369 3.930 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000555106440 1034510283 /nfs/dbraw/zinc/51/02/83/1034510283.db2.gz UYOKAPLGXNBNKO-KRWDZBQOSA-N 1 0 320.433 3.605 20 5 DHBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481179544 1034632277 /nfs/dbraw/zinc/63/22/77/1034632277.db2.gz YZKCFRBKWJKBOB-SMDDNHRTSA-N 1 0 310.369 3.801 20 5 DHBDRO COc1cc(C[NH2+][C@@H]2CCCCC2(C)C)c([N+](=O)[O-])cc1F ZINC000481182016 1034635009 /nfs/dbraw/zinc/63/50/09/1034635009.db2.gz ONZOFXLCZHUUIR-OAHLLOKOSA-N 1 0 310.369 3.801 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C)CN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000481183181 1034635312 /nfs/dbraw/zinc/63/53/12/1034635312.db2.gz QPBAFBTYTVQATP-LZWOXQAQSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000186566778 1034644507 /nfs/dbraw/zinc/64/45/07/1034644507.db2.gz CWARUINDMMBQEE-CMPLNLGQSA-N 1 0 305.403 3.814 20 5 DHBDRO CC[C@H]1CCCC[C@@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000600155151 1034775583 /nfs/dbraw/zinc/77/55/83/1034775583.db2.gz DDWVMXACVDHIGU-LSDHHAIUSA-N 1 0 320.437 3.645 20 5 DHBDRO C[C@@H]1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000600182363 1034794196 /nfs/dbraw/zinc/79/41/96/1034794196.db2.gz AYHUZLRCEVORHQ-WFMXKNRHSA-N 1 0 310.344 3.831 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(Cc2cccs2)C1 ZINC000600215820 1034818542 /nfs/dbraw/zinc/81/85/42/1034818542.db2.gz OGHDZPMZXOCFCJ-UHFFFAOYSA-N 1 0 302.399 3.639 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC000555582986 1034826877 /nfs/dbraw/zinc/82/68/77/1034826877.db2.gz KIJYUUBLXYIBPA-GFCCVEGCSA-N 1 0 318.323 3.863 20 5 DHBDRO COc1ccc(C)cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080347266 1034849927 /nfs/dbraw/zinc/84/99/27/1034849927.db2.gz OKWOLLUSMUIVAO-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO CC(C)(C)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000555743601 1034884360 /nfs/dbraw/zinc/88/43/60/1034884360.db2.gz GEEPGVHBBUVXIS-UONOGXRCSA-N 1 0 308.426 3.691 20 5 DHBDRO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000481768364 1034969890 /nfs/dbraw/zinc/96/98/90/1034969890.db2.gz MNZHOGHAZULYKR-FZMZJTMJSA-N 1 0 316.323 3.800 20 5 DHBDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000160059570 1035131646 /nfs/dbraw/zinc/13/16/46/1035131646.db2.gz SDWRNDRZYAHXQU-SFHVURJKSA-N 1 0 311.385 3.678 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCN2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000482627046 1035149390 /nfs/dbraw/zinc/14/93/90/1035149390.db2.gz GRGBGVUPQOVPRP-LZWOXQAQSA-N 1 0 319.449 3.817 20 5 DHBDRO C[C@H](NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000482631586 1035151787 /nfs/dbraw/zinc/15/17/87/1035151787.db2.gz SNLBIKNEEMLHGM-KKUMJFAQSA-N 1 0 305.422 3.508 20 5 DHBDRO CC[C@H](C)C[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000482870843 1035191031 /nfs/dbraw/zinc/19/10/31/1035191031.db2.gz QBNIMXCQCGCLMR-ZDUSSCGKSA-N 1 0 321.421 3.600 20 5 DHBDRO Cc1cc(Nc2cc3cccnc3c3ncccc23)cc(C)[nH+]1 ZINC001176058343 1035198922 /nfs/dbraw/zinc/19/89/22/1035198922.db2.gz ZHBYGQCXPPBHSW-UHFFFAOYSA-N 1 0 300.365 3.960 20 5 DHBDRO CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482941708 1035203198 /nfs/dbraw/zinc/20/31/98/1035203198.db2.gz AKGVETSGRMDNTD-JKSUJKDBSA-N 1 0 319.449 3.818 20 5 DHBDRO COc1cc(C[N@H+](CC2CC2)CC2CCC2)ccc1[N+](=O)[O-] ZINC000483272491 1035245883 /nfs/dbraw/zinc/24/58/83/1035245883.db2.gz QGYDJXVNQNVYDE-UHFFFAOYSA-N 1 0 304.390 3.616 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000483489908 1035273575 /nfs/dbraw/zinc/27/35/75/1035273575.db2.gz HDELKWCRNYXWIG-OAHLLOKOSA-N 1 0 317.433 3.606 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000483713069 1035293336 /nfs/dbraw/zinc/29/33/36/1035293336.db2.gz MDPMIBFVTWRSPT-IAOVAPTHSA-N 1 0 318.417 3.902 20 5 DHBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000485126575 1035476106 /nfs/dbraw/zinc/47/61/06/1035476106.db2.gz RMJNKNRPCFAOFK-UHFFFAOYSA-N 1 0 309.410 3.524 20 5 DHBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001193079963 1035553422 /nfs/dbraw/zinc/55/34/22/1035553422.db2.gz AJAAYIVLKGCWOM-RHSMWYFYSA-N 1 0 306.406 3.922 20 5 DHBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000494592820 1035715667 /nfs/dbraw/zinc/71/56/67/1035715667.db2.gz USOUYZXHRDFGEF-KBXCAEBGSA-N 1 0 314.385 3.503 20 5 DHBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000494592823 1035716536 /nfs/dbraw/zinc/71/65/36/1035716536.db2.gz USOUYZXHRDFGEF-RDTXWAMCSA-N 1 0 314.385 3.503 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000539667715 1035823183 /nfs/dbraw/zinc/82/31/83/1035823183.db2.gz JSWMMIBNBMFWNG-BBRMVZONSA-N 1 0 312.369 3.558 20 5 DHBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC000594978853 1035831766 /nfs/dbraw/zinc/83/17/66/1035831766.db2.gz XQGBGKYNDNAIGC-LBPRGKRZSA-N 1 0 304.724 3.773 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCCC2(CCC2)O1 ZINC001194262534 1035894029 /nfs/dbraw/zinc/89/40/29/1035894029.db2.gz PAWKJGCUKHUBDC-MRXNPFEDSA-N 1 0 318.417 3.561 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000485719870 1035901537 /nfs/dbraw/zinc/90/15/37/1035901537.db2.gz WPLMDJMZUFFEAI-ZDUSSCGKSA-N 1 0 300.358 3.796 20 5 DHBDRO CCCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC001181514292 1035929729 /nfs/dbraw/zinc/92/97/29/1035929729.db2.gz DRXFIFPRGKKHTN-UHFFFAOYSA-N 1 0 324.396 3.953 20 5 DHBDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540220542 1036018326 /nfs/dbraw/zinc/01/83/26/1036018326.db2.gz QDQNGCQZWZQZKA-OCCSQVGLSA-N 1 0 320.414 3.657 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000774193736 1036215738 /nfs/dbraw/zinc/21/57/38/1036215738.db2.gz VLEOHNVGXNFVAX-MGPQQGTHSA-N 1 0 308.426 3.547 20 5 DHBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000443451691 1036224942 /nfs/dbraw/zinc/22/49/42/1036224942.db2.gz HAEJSFPXJCYWCD-UHFFFAOYSA-N 1 0 309.410 3.524 20 5 DHBDRO COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000541074491 1036230452 /nfs/dbraw/zinc/23/04/52/1036230452.db2.gz MXYYMSHSSLWRNC-UHFFFAOYSA-N 1 0 320.776 3.889 20 5 DHBDRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774215060 1036245427 /nfs/dbraw/zinc/24/54/27/1036245427.db2.gz UTVKNQAPIOYNNP-XPKDYRNWSA-N 1 0 306.431 3.846 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC001182508282 1036368656 /nfs/dbraw/zinc/36/86/56/1036368656.db2.gz JVGGBVDWBVVREI-JQFCIGGWSA-N 1 0 302.418 3.942 20 5 DHBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000775677964 1036409293 /nfs/dbraw/zinc/40/92/93/1036409293.db2.gz LKIZGJFCVRQTFY-XOKHGSTOSA-N 1 0 306.406 3.577 20 5 DHBDRO CC1(C)CC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000193317103 1036501729 /nfs/dbraw/zinc/50/17/29/1036501729.db2.gz QCUUOUBGSIISJJ-ZBFHGGJFSA-N 1 0 304.390 3.519 20 5 DHBDRO CC(C)(CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000174579201 1036528577 /nfs/dbraw/zinc/52/85/77/1036528577.db2.gz NBNLNXMYOFZSFW-UHFFFAOYSA-N 1 0 320.414 3.574 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000271833991 1036567046 /nfs/dbraw/zinc/56/70/46/1036567046.db2.gz RPAQTZUYBGRALC-GUDXXQAFSA-N 1 0 316.401 3.511 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000495370074 1036573888 /nfs/dbraw/zinc/57/38/88/1036573888.db2.gz ZVJISRZWQXLCGE-WFASDCNBSA-N 1 0 306.406 3.900 20 5 DHBDRO CC(C)CC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774628859 1036592912 /nfs/dbraw/zinc/59/29/12/1036592912.db2.gz XYWGOMRMXLVVEG-UHFFFAOYSA-N 1 0 310.785 3.533 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000271941054 1036714381 /nfs/dbraw/zinc/71/43/81/1036714381.db2.gz AQJLLGZQVMQARZ-FRFSOERESA-N 1 0 306.406 3.839 20 5 DHBDRO COc1ccccc1CN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000487858312 1036746096 /nfs/dbraw/zinc/74/60/96/1036746096.db2.gz MMYRCXWZWQUZSF-CYBMUJFWSA-N 1 0 300.358 3.796 20 5 DHBDRO C[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000492192742 1036782590 /nfs/dbraw/zinc/78/25/90/1036782590.db2.gz JBAMFKDIWJUSGD-AWEZNQCLSA-N 1 0 320.433 3.872 20 5 DHBDRO COc1cc(C[N@H+](C)C[C@@H](C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001197602140 1036816201 /nfs/dbraw/zinc/81/62/01/1036816201.db2.gz OCUOCRYDPQXIEE-LLVKDONJSA-N 1 0 312.385 3.857 20 5 DHBDRO CC[NH+](CC)CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001184580849 1036893536 /nfs/dbraw/zinc/89/35/36/1036893536.db2.gz XPFNDUQYNMQLQC-UHFFFAOYSA-N 1 0 306.193 3.655 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)COCC2CCCCC2)cc1[N+](=O)[O-] ZINC001198000537 1036924590 /nfs/dbraw/zinc/92/45/90/1036924590.db2.gz HFEPDYXEIGEACP-OAHLLOKOSA-N 1 0 320.433 3.978 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2scnc2C)cc1[N+](=O)[O-] ZINC000153627438 1036937300 /nfs/dbraw/zinc/93/73/00/1036937300.db2.gz JKGHCRGWIUCJRO-JTQLQIEISA-N 1 0 321.402 3.609 20 5 DHBDRO CCCC[NH+]1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001184874482 1036967211 /nfs/dbraw/zinc/96/72/11/1036967211.db2.gz OQVCEYHEYKWQLX-UHFFFAOYSA-N 1 0 311.813 3.925 20 5 DHBDRO CCOc1cc(C[N@H+](C)C(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000492695616 1036967372 /nfs/dbraw/zinc/96/73/72/1036967372.db2.gz JSJWYZQTCZFDQU-UHFFFAOYSA-N 1 0 304.390 3.614 20 5 DHBDRO C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488710675 1037113851 /nfs/dbraw/zinc/11/38/51/1037113851.db2.gz GDKSCJUBLHCDOK-GFCCVEGCSA-N 1 0 323.824 3.559 20 5 DHBDRO Cc1cc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001185449978 1037160049 /nfs/dbraw/zinc/16/00/49/1037160049.db2.gz APNLTUHXTOAISL-UHFFFAOYSA-N 1 0 319.327 3.722 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000489179481 1037298438 /nfs/dbraw/zinc/29/84/38/1037298438.db2.gz ZIACYALUIWGJMC-INIZCTEOSA-N 1 0 312.369 3.593 20 5 DHBDRO Cc1noc(C)c1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761527600 1037349492 /nfs/dbraw/zinc/34/94/92/1037349492.db2.gz LAMRRDSMHFYNEP-UHFFFAOYSA-N 1 0 323.780 3.575 20 5 DHBDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122790796 1037413544 /nfs/dbraw/zinc/41/35/44/1037413544.db2.gz INYYUIDIXRRBEN-ZIAGYGMSSA-N 1 0 314.385 3.972 20 5 DHBDRO COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000089623216 1037615002 /nfs/dbraw/zinc/61/50/02/1037615002.db2.gz UXVYIICCVSLDHY-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000490397654 1037703085 /nfs/dbraw/zinc/70/30/85/1037703085.db2.gz IUZBMXYUNNEFTG-CQSZACIVSA-N 1 0 312.410 3.842 20 5 DHBDRO Cc1[nH+]ccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)c1Cl ZINC000775176282 1037920364 /nfs/dbraw/zinc/92/03/64/1037920364.db2.gz NIBQTPUHCHPKFC-UHFFFAOYSA-N 1 0 312.156 3.639 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000917064404 1038156361 /nfs/dbraw/zinc/15/63/61/1038156361.db2.gz RZKNRWILHWADLT-UHFFFAOYSA-N 1 0 317.433 3.687 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000164536916 1038205533 /nfs/dbraw/zinc/20/55/33/1038205533.db2.gz VUZIYMUQISHFSZ-ZDUSSCGKSA-N 1 0 321.421 3.598 20 5 DHBDRO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](CC)c1ccccc1 ZINC001190582074 1038351206 /nfs/dbraw/zinc/35/12/06/1038351206.db2.gz OIJWXVREOSOORV-INIZCTEOSA-N 1 0 316.405 3.692 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2cccnc2)CC1 ZINC000589196032 1038447504 /nfs/dbraw/zinc/44/75/04/1038447504.db2.gz BDMWCBONMTZGED-QPJJXVBHSA-N 1 0 323.396 3.883 20 5 DHBDRO C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1(F)F ZINC000572767937 1038504510 /nfs/dbraw/zinc/50/45/10/1038504510.db2.gz ZLXUWXHGXJXXFO-VIFPVBQESA-N 1 0 304.724 3.725 20 5 DHBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000249746967 1038509542 /nfs/dbraw/zinc/50/95/42/1038509542.db2.gz NMDUJLGSSDPIND-KDOFPFPSSA-N 1 0 312.369 3.557 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cs1 ZINC000589743973 1038535948 /nfs/dbraw/zinc/53/59/48/1038535948.db2.gz VKOWHAMJPSQMSM-KFWWJZLASA-N 1 0 324.446 3.562 20 5 DHBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001191744088 1038541309 /nfs/dbraw/zinc/54/13/09/1038541309.db2.gz YJPCMWJIDNJDDP-HZPDHXFCSA-N 1 0 306.406 3.620 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCC[NH+](C2CCC2)C2CCC2)cc1 ZINC000590025612 1038568616 /nfs/dbraw/zinc/56/86/16/1038568616.db2.gz DMGUMAVOGVNJIW-UHFFFAOYSA-N 1 0 304.390 3.771 20 5 DHBDRO Cc1ccc(C[NH2+]C2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590662464 1038686868 /nfs/dbraw/zinc/68/68/68/1038686868.db2.gz STWBBOSANKYJHS-UHFFFAOYSA-N 1 0 314.332 3.543 20 5 DHBDRO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757331 1038700268 /nfs/dbraw/zinc/70/02/68/1038700268.db2.gz PXFPTEAHWGEMIS-YOEHRIQHSA-N 1 0 311.385 3.930 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CC4(CC(F)C4)C3)o2)c1 ZINC000590969343 1038733675 /nfs/dbraw/zinc/73/36/75/1038733675.db2.gz XLXJAVLGWRNUDH-UHFFFAOYSA-N 1 0 316.332 3.789 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@H]3CC3(F)F)o2)cc1 ZINC000598646208 1038804085 /nfs/dbraw/zinc/80/40/85/1038804085.db2.gz CWIXFNQYUWDWRR-GFCCVEGCSA-N 1 0 322.311 3.990 20 5 DHBDRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593622922 1038886967 /nfs/dbraw/zinc/88/69/67/1038886967.db2.gz ZQZMVWICJJZWBG-YPMHNXCESA-N 1 0 302.378 3.530 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000598985519 1038980355 /nfs/dbraw/zinc/98/03/55/1038980355.db2.gz QZKJCVDZYCQRTC-AWEZNQCLSA-N 1 0 306.406 3.625 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(C(F)(F)F)CCCC1 ZINC000599013280 1038984863 /nfs/dbraw/zinc/98/48/63/1038984863.db2.gz GMMPVKXIYGHLJG-UHFFFAOYSA-N 1 0 302.296 3.807 20 5 DHBDRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000599068652 1039026865 /nfs/dbraw/zinc/02/68/65/1039026865.db2.gz BLTZMUXJASKQSV-CQSZACIVSA-N 1 0 313.401 3.927 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599074383 1039027612 /nfs/dbraw/zinc/02/76/12/1039027612.db2.gz RAXIEDOQRBZDOR-ZWKOTPCHSA-N 1 0 317.433 3.652 20 5 DHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CC=CCC2)n1 ZINC000599073094 1039029431 /nfs/dbraw/zinc/02/94/31/1039029431.db2.gz KVMJYGIRKWVUMM-HRCADAONSA-N 1 0 318.421 3.611 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593717246 1039105820 /nfs/dbraw/zinc/10/58/20/1039105820.db2.gz WTCYBUQOSVGGSP-UGSOOPFHSA-N 1 0 318.417 3.759 20 5 DHBDRO CCCCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131281 1039127720 /nfs/dbraw/zinc/12/77/20/1039127720.db2.gz WGDDPTIKNGLFNC-QAQDUYKDSA-N 1 0 320.433 3.891 20 5 DHBDRO Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC2CC2)cn1 ZINC000592144472 1039137751 /nfs/dbraw/zinc/13/77/51/1039137751.db2.gz GHFMLNDUIVATSF-UHFFFAOYSA-N 1 0 311.385 3.710 20 5 DHBDRO COc1ccccc1C1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000592374263 1039168637 /nfs/dbraw/zinc/16/86/37/1039168637.db2.gz IYUFMOTWKMYJJT-SOFGYWHQSA-N 1 0 324.380 3.896 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183971 1039172711 /nfs/dbraw/zinc/17/27/11/1039172711.db2.gz MQCNYCKYRDTVQG-LSDHHAIUSA-N 1 0 318.417 3.855 20 5 DHBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000603847237 1039183616 /nfs/dbraw/zinc/18/36/16/1039183616.db2.gz KRFHLEZWGCYHIN-BZUAXINKSA-N 1 0 318.417 3.874 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](C1CC1)C1CCCCC1 ZINC000603848768 1039183896 /nfs/dbraw/zinc/18/38/96/1039183896.db2.gz MWBMYTGQXASVLR-UHFFFAOYSA-N 1 0 304.390 3.771 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000604016863 1039283472 /nfs/dbraw/zinc/28/34/72/1039283472.db2.gz JMKYPXBCHRXPRI-QGZVFWFLSA-N 1 0 314.360 3.941 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593053775 1039377952 /nfs/dbraw/zinc/37/79/52/1039377952.db2.gz MGVLPUWRFBJBQZ-GDBMZVCRSA-N 1 0 306.406 3.854 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc([N+](=O)[O-])s2)C1 ZINC000604409263 1039457552 /nfs/dbraw/zinc/45/75/52/1039457552.db2.gz LNHQNTFKDCLEIR-BETUJISGSA-N 1 0 311.451 3.826 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccsc2[N+](=O)[O-])C1 ZINC000604433443 1039475424 /nfs/dbraw/zinc/47/54/24/1039475424.db2.gz BXQXWBKXFVHDDY-BETUJISGSA-N 1 0 311.451 3.826 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000604532804 1039496291 /nfs/dbraw/zinc/49/62/91/1039496291.db2.gz KXRFOENBUFAGJO-OAHLLOKOSA-N 1 0 319.449 3.540 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000058932562 1039633101 /nfs/dbraw/zinc/63/31/01/1039633101.db2.gz FYDAIYBKVQJBDZ-GOSISDBHSA-N 1 0 312.369 3.811 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495002 1039795853 /nfs/dbraw/zinc/79/58/53/1039795853.db2.gz JYQAXCUTEKTAKI-OTYXRUKQSA-N 1 0 301.346 3.538 20 5 DHBDRO CS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594508786 1039813146 /nfs/dbraw/zinc/81/31/46/1039813146.db2.gz WDZLFJFCWHWORS-SQWLQELKSA-N 1 0 306.431 3.846 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594512900 1039816922 /nfs/dbraw/zinc/81/69/22/1039816922.db2.gz SPOJYQJDTQOFQY-VHSSKADRSA-N 1 0 318.417 3.902 20 5 DHBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594519727 1039825298 /nfs/dbraw/zinc/82/52/98/1039825298.db2.gz UGDOTKYTBTUBAE-LALPHHSUSA-N 1 0 304.390 3.518 20 5 DHBDRO COc1ccc(CNc2[nH+]ccc(C)c2C2CC2)cc1[N+](=O)[O-] ZINC000594742082 1039905117 /nfs/dbraw/zinc/90/51/17/1039905117.db2.gz JVWAQBFIYIAQJD-UHFFFAOYSA-N 1 0 313.357 3.796 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000059394237 1039951661 /nfs/dbraw/zinc/95/16/61/1039951661.db2.gz XBVUOHMBZCWXQT-INIZCTEOSA-N 1 0 321.327 3.588 20 5 DHBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230698570 1039959571 /nfs/dbraw/zinc/95/95/71/1039959571.db2.gz DUJLLAJBSXTFMS-CMPLNLGQSA-N 1 0 300.811 3.622 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)c1ccccn1 ZINC000594952308 1039962700 /nfs/dbraw/zinc/96/27/00/1039962700.db2.gz BJHDNTQYFRXRRG-YVGNARHYSA-N 1 0 311.385 3.786 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CSCCF)cc1[N+](=O)[O-] ZINC000595025110 1039993191 /nfs/dbraw/zinc/99/31/91/1039993191.db2.gz GKYGDLBEMOBFIB-VXGBXAGGSA-N 1 0 300.399 3.645 20 5 DHBDRO CCSC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000594986896 1040003642 /nfs/dbraw/zinc/00/36/42/1040003642.db2.gz MFZFDXDUVBGYFX-UKTHLTGXSA-N 1 0 306.431 3.873 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)C2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000594989729 1040004808 /nfs/dbraw/zinc/00/48/08/1040004808.db2.gz IYVWIJPEKROJMI-XGNXJENSSA-N 1 0 310.369 3.610 20 5 DHBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595031433 1040039366 /nfs/dbraw/zinc/03/93/66/1040039366.db2.gz GPVYHGUMRSWHSU-VHSXEESVSA-N 1 0 320.311 3.985 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)c1ccccn1 ZINC000595049698 1040052377 /nfs/dbraw/zinc/05/23/77/1040052377.db2.gz NKBSWKLLKQAMDC-GJZGRUSLSA-N 1 0 313.401 3.704 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000595076916 1040070109 /nfs/dbraw/zinc/07/01/09/1040070109.db2.gz NSSIESKLESOVRA-ZDUSSCGKSA-N 1 0 324.421 3.849 20 5 DHBDRO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000595080026 1040071581 /nfs/dbraw/zinc/07/15/81/1040071581.db2.gz NKSITKLELOWLEQ-PVUWLOKVSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595078770 1040071809 /nfs/dbraw/zinc/07/18/09/1040071809.db2.gz ATVWWVAOXSQJDT-HOCLYGCPSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000595080028 1040072824 /nfs/dbraw/zinc/07/28/24/1040072824.db2.gz NKSITKLELOWLEQ-SRCQZFHVSA-N 1 0 304.390 3.519 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000595079274 1040073441 /nfs/dbraw/zinc/07/34/41/1040073441.db2.gz JLMKXLRLBOLRMS-KCQAQPDRSA-N 1 0 322.405 3.602 20 5 DHBDRO CC1(C)[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1(F)F ZINC000595093191 1040077796 /nfs/dbraw/zinc/07/77/96/1040077796.db2.gz NYOTZHXARSINLF-HIFRSBDPSA-N 1 0 324.371 3.797 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000595091869 1040079328 /nfs/dbraw/zinc/07/93/28/1040079328.db2.gz KIAXOVYWENMIBM-RISCZKNCSA-N 1 0 312.360 3.797 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000595091867 1040079661 /nfs/dbraw/zinc/07/96/61/1040079661.db2.gz KIAXOVYWENMIBM-BXUZGUMPSA-N 1 0 312.360 3.797 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCCc2ccco2)cc1[N+](=O)[O-] ZINC000595093692 1040079834 /nfs/dbraw/zinc/07/98/34/1040079834.db2.gz NDMFPIBPUYTENJ-CYBMUJFWSA-N 1 0 318.373 3.870 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCCc2sccc2C1 ZINC000595310674 1040105456 /nfs/dbraw/zinc/10/54/56/1040105456.db2.gz CQTOURPUKZKOON-UHFFFAOYSA-N 1 0 306.362 3.744 20 5 DHBDRO CC[C@H](C[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595448153 1040142169 /nfs/dbraw/zinc/14/21/69/1040142169.db2.gz JQIQTMKHPFREQC-CQSZACIVSA-N 1 0 317.389 3.907 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccsc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000063263257 1040164408 /nfs/dbraw/zinc/16/44/08/1040164408.db2.gz WDSPXXCPLHMPMM-CYBMUJFWSA-N 1 0 309.366 3.510 20 5 DHBDRO CCc1ccc([C@@H](CNc2ccsc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000063256217 1040166916 /nfs/dbraw/zinc/16/69/16/1040166916.db2.gz YVFNWBMKFXUXKM-OAHLLOKOSA-N 1 0 319.430 3.934 20 5 DHBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000575195643 1040184046 /nfs/dbraw/zinc/18/40/46/1040184046.db2.gz PSPMCDTUIGJUOM-LALPHHSUSA-N 1 0 306.431 3.846 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595784473 1040251932 /nfs/dbraw/zinc/25/19/32/1040251932.db2.gz ABQGKRVGNJACAH-KSSFIOAISA-N 1 0 318.417 3.937 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595784471 1040256598 /nfs/dbraw/zinc/25/65/98/1040256598.db2.gz ABQGKRVGNJACAH-KBXCAEBGSA-N 1 0 318.417 3.937 20 5 DHBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000596307321 1040375721 /nfs/dbraw/zinc/37/57/21/1040375721.db2.gz KNSXBSBEZGCVSA-LBPRGKRZSA-N 1 0 309.385 3.575 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000601321544 1040599416 /nfs/dbraw/zinc/59/94/16/1040599416.db2.gz SQGDNHJSIFUPTF-HOTGVXAUSA-N 1 0 314.389 3.757 20 5 DHBDRO C[C@@H](C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000608976677 1040656479 /nfs/dbraw/zinc/65/64/79/1040656479.db2.gz GTCGJGGUXCGQFW-HNNXBMFYSA-N 1 0 314.385 3.709 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000597222720 1040703068 /nfs/dbraw/zinc/70/30/68/1040703068.db2.gz YMVKVIQDMQWHQH-GHHZWIFUSA-N 1 0 300.402 3.694 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000597224400 1040704104 /nfs/dbraw/zinc/70/41/04/1040704104.db2.gz ICAMMXRHGMJUDJ-SFHVURJKSA-N 1 0 318.417 3.684 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000593318597 1040718191 /nfs/dbraw/zinc/71/81/91/1040718191.db2.gz PUZIQHWOJYDQAK-MRXNPFEDSA-N 1 0 311.385 3.501 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCc3ccccc3N2)cs1 ZINC000593319797 1040719575 /nfs/dbraw/zinc/71/95/75/1040719575.db2.gz YDNVWCCXHFMWDT-AWEZNQCLSA-N 1 0 317.414 3.563 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000534331860 1040807391 /nfs/dbraw/zinc/80/73/91/1040807391.db2.gz AZGVTRZSXPUFEC-MOTZXUDYSA-N 1 0 309.369 3.840 20 5 DHBDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000594514882 1040874489 /nfs/dbraw/zinc/87/44/89/1040874489.db2.gz LRMUAGSUKFYWGR-SCLBCKFNSA-N 1 0 311.385 3.588 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(F)F)nc1 ZINC000602657381 1041144658 /nfs/dbraw/zinc/14/46/58/1041144658.db2.gz FXCBRLRIRSAAQJ-UHFFFAOYSA-N 1 0 321.327 3.602 20 5 DHBDRO Cc1cccc([C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000602805342 1041232172 /nfs/dbraw/zinc/23/21/72/1041232172.db2.gz KIBKRDJHADTVNL-OAHLLOKOSA-N 1 0 316.405 3.514 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602904153 1041305274 /nfs/dbraw/zinc/30/52/74/1041305274.db2.gz MLEVBFJVBKQRGA-UHFFFAOYSA-N 1 0 315.348 3.509 20 5 DHBDRO CSC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000602920970 1041316125 /nfs/dbraw/zinc/31/61/25/1041316125.db2.gz SOIZQARAJOILSQ-UHFFFAOYSA-N 1 0 324.446 3.709 20 5 DHBDRO CCOc1cc(C[NH2+][C@@H](C)c2cnc(C)s2)ccc1[N+](=O)[O-] ZINC000602956917 1041327671 /nfs/dbraw/zinc/32/76/71/1041327671.db2.gz PKPJJPAFBWJJNE-JTQLQIEISA-N 1 0 321.402 3.609 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cncc(Cl)c2)cc1[N+](=O)[O-] ZINC000598603315 1041351821 /nfs/dbraw/zinc/35/18/21/1041351821.db2.gz ZMYHGXLDMLLFQQ-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000078973084 185137934 /nfs/dbraw/zinc/13/79/34/185137934.db2.gz AYDKWMKJUNGILI-RYUDHWBXSA-N 1 0 314.341 3.735 20 5 DHBDRO COc1ccccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000079121342 185159763 /nfs/dbraw/zinc/15/97/63/185159763.db2.gz MGGMPNPATJCYOQ-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090728481 185311602 /nfs/dbraw/zinc/31/16/02/185311602.db2.gz URXHDTAWWGVTFF-MNOVXSKESA-N 1 0 303.362 3.654 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC(C(F)(F)F)CC2)c1 ZINC000035258394 182766136 /nfs/dbraw/zinc/76/61/36/182766136.db2.gz DENAEIHTZUSKCK-UHFFFAOYSA-N 1 0 302.296 3.806 20 5 DHBDRO CC1(C)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104694719 194027648 /nfs/dbraw/zinc/02/76/48/194027648.db2.gz FCYOMSCXLNESHN-UHFFFAOYSA-N 1 0 315.373 3.667 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000271571826 129936078 /nfs/dbraw/zinc/93/60/78/129936078.db2.gz YUKWFGOFQNWHLQ-GDBMZVCRSA-N 1 0 318.417 3.607 20 5 DHBDRO COc1ccsc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000274584576 130247796 /nfs/dbraw/zinc/24/77/96/130247796.db2.gz LYCLHVVKXPYJAF-NSHDSACASA-N 1 0 306.387 3.558 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000275638666 130353236 /nfs/dbraw/zinc/35/32/36/130353236.db2.gz RRARGTSEUWWGEW-STQMWFEESA-N 1 0 316.323 3.848 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282187649 130906192 /nfs/dbraw/zinc/90/61/92/130906192.db2.gz WHZSDFHWAPLOGW-RHSMWYFYSA-N 1 0 318.417 3.903 20 5 DHBDRO CCc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000283981717 131039009 /nfs/dbraw/zinc/03/90/09/131039009.db2.gz GXGKVPLNZJLELL-JTQLQIEISA-N 1 0 305.403 3.652 20 5 DHBDRO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000297219895 132004578 /nfs/dbraw/zinc/00/45/78/132004578.db2.gz HEAMKEVRCSROAI-STQMWFEESA-N 1 0 302.378 3.784 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000035257716 331491439 /nfs/dbraw/zinc/49/14/39/331491439.db2.gz JHGZWZLYRUZUSC-VXGBXAGGSA-N 1 0 302.296 3.806 20 5 DHBDRO COCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000558501034 331913875 /nfs/dbraw/zinc/91/38/75/331913875.db2.gz JLSKESBTEVJLAA-CQSZACIVSA-N 1 0 306.406 3.842 20 5 DHBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1C ZINC000518268085 332003256 /nfs/dbraw/zinc/00/32/56/332003256.db2.gz XAIFFLDXUIIPLW-UHFFFAOYSA-N 1 0 313.401 3.519 20 5 DHBDRO Cc1cccc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000569599562 332192418 /nfs/dbraw/zinc/19/24/18/332192418.db2.gz CMFUAIRXCVKHKH-UHFFFAOYSA-N 1 0 311.385 3.505 20 5 DHBDRO COc1cc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000559431923 332258570 /nfs/dbraw/zinc/25/85/70/332258570.db2.gz MHKLYXURHBLFSG-KBPBESRZSA-N 1 0 304.390 3.614 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H]3CCSC3)C2)cc1 ZINC000449495442 332308101 /nfs/dbraw/zinc/30/81/01/332308101.db2.gz DHVCOTQJOBMSBY-ZFWWWQNUSA-N 1 0 306.431 3.527 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CCO)C1CCCCC1 ZINC000560319935 332330437 /nfs/dbraw/zinc/33/04/37/332330437.db2.gz JFPMFIJMWMDNMT-KSSFIOAISA-N 1 0 320.433 3.885 20 5 DHBDRO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000187059247 332955220 /nfs/dbraw/zinc/95/52/20/332955220.db2.gz BWUDWJVOJOCZJA-OLZOCXBDSA-N 1 0 315.373 3.719 20 5 DHBDRO CC(C)([NH2+]Cc1ccc2c(n1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000565290595 333051843 /nfs/dbraw/zinc/05/18/43/333051843.db2.gz LUILBHHXBXSJPA-UHFFFAOYSA-N 1 0 311.385 3.503 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2)cc(C(F)(F)F)c1 ZINC000487184730 333116823 /nfs/dbraw/zinc/11/68/23/333116823.db2.gz HDDFWQOBLBGXIZ-UHFFFAOYSA-N 1 0 310.275 3.903 20 5 DHBDRO COC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000537985171 333171261 /nfs/dbraw/zinc/17/12/61/333171261.db2.gz VKKKRORJFRBCAI-PXAZEXFGSA-N 1 0 318.348 3.772 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000318628584 333196149 /nfs/dbraw/zinc/19/61/49/333196149.db2.gz UPMKXJQVQMCDSC-HRCADAONSA-N 1 0 306.406 3.839 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319086871 333255001 /nfs/dbraw/zinc/25/50/01/333255001.db2.gz QHMXZUMZJVICBJ-CVEARBPZSA-N 1 0 308.422 3.823 20 5 DHBDRO CCC[C@H]([NH2+]C1CCC(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000319743685 333401958 /nfs/dbraw/zinc/40/19/58/333401958.db2.gz WYXAAPKRSGRUGG-PGEKIEPBSA-N 1 0 306.406 3.577 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C12CCCC2 ZINC000390980195 333413153 /nfs/dbraw/zinc/41/31/53/333413153.db2.gz CMOWKODWRZHUTA-XOKHGSTOSA-N 1 0 318.417 3.983 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000320776164 335139672 /nfs/dbraw/zinc/13/96/72/335139672.db2.gz IIOMEPULFMMSRU-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000531717333 333550352 /nfs/dbraw/zinc/55/03/52/333550352.db2.gz HEAMKEVRCSROAI-OLZOCXBDSA-N 1 0 302.378 3.784 20 5 DHBDRO CCC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000293231193 333663440 /nfs/dbraw/zinc/66/34/40/333663440.db2.gz AVETZSCURAOBQI-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1CC ZINC000414209050 333921827 /nfs/dbraw/zinc/92/18/27/333921827.db2.gz MHTPLGQYKQXLNF-NFAWXSAZSA-N 1 0 324.446 3.623 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000414230725 333926637 /nfs/dbraw/zinc/92/66/37/333926637.db2.gz GOMVBKCRIKNXQG-RZAIGCCYSA-N 1 0 318.417 3.765 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2(OC)CCC2)cc1[N+](=O)[O-] ZINC000414292938 333934670 /nfs/dbraw/zinc/93/46/70/333934670.db2.gz BFXNLLDEUMPLGH-CHWSQXEVSA-N 1 0 322.405 3.602 20 5 DHBDRO CCC[C@H]([NH2+]CCCOC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000194026615 334145653 /nfs/dbraw/zinc/14/56/53/334145653.db2.gz XRCHWOMCHBDOIG-ZDUSSCGKSA-N 1 0 302.321 3.655 20 5 DHBDRO CCC(O)(CC)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000471827543 334271008 /nfs/dbraw/zinc/27/10/08/334271008.db2.gz QTGINQLMRFYSSA-KAMYIIQDSA-N 1 0 306.406 3.529 20 5 DHBDRO COc1cccc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000531936909 334297905 /nfs/dbraw/zinc/29/79/05/334297905.db2.gz RFUBLDJJEVKIFN-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO C[C@@H](CC(C)(C)O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349984 334706259 /nfs/dbraw/zinc/70/62/59/334706259.db2.gz NSPPVCSKKVDYCF-LRDDRELGSA-N 1 0 306.406 3.501 20 5 DHBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349985 334706321 /nfs/dbraw/zinc/70/63/21/334706321.db2.gz NSPPVCSKKVDYCF-MLGOLLRUSA-N 1 0 306.406 3.501 20 5 DHBDRO COC1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000344032976 335210896 /nfs/dbraw/zinc/21/08/96/335210896.db2.gz ANHWYWARCGYRIS-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC000344088918 335217054 /nfs/dbraw/zinc/21/70/54/335217054.db2.gz KZCZZMXYZVPJGG-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000344111012 335224102 /nfs/dbraw/zinc/22/41/02/335224102.db2.gz TXXOALZGRSINJF-YESZJQIVSA-N 1 0 318.417 3.983 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1ccccn1 ZINC000344788512 335277306 /nfs/dbraw/zinc/27/73/06/335277306.db2.gz FZQLNOHMOITDPQ-QINSGFPZSA-N 1 0 311.385 3.616 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000166244735 335629053 /nfs/dbraw/zinc/62/90/53/335629053.db2.gz NITMPUDKPHPKAQ-APHBMKBZSA-N 1 0 304.390 3.593 20 5 DHBDRO CCC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000192352759 336029981 /nfs/dbraw/zinc/02/99/81/336029981.db2.gz GVKDILZZDFHGNS-UHFFFAOYSA-N 1 0 316.405 3.521 20 5 DHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC2=CCCCC2)n1 ZINC000331691468 336144571 /nfs/dbraw/zinc/14/45/71/336144571.db2.gz BIZKTTLMRQIIPI-HOTGVXAUSA-N 1 0 318.421 3.755 20 5 DHBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332363965 336169822 /nfs/dbraw/zinc/16/98/22/336169822.db2.gz RCPYYAVOBIJQDW-BLLLJJGKSA-N 1 0 320.389 3.520 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(Br)cc2)c1 ZINC000042352626 336239659 /nfs/dbraw/zinc/23/96/59/336239659.db2.gz IVACIGMPGGXPPI-UHFFFAOYSA-N 1 0 321.174 3.647 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCSC2)s1 ZINC000526992342 336278324 /nfs/dbraw/zinc/27/83/24/336278324.db2.gz OFBUXBCPSCAGAR-NSHDSACASA-N 1 0 320.439 3.918 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000182684667 336280904 /nfs/dbraw/zinc/28/09/04/336280904.db2.gz MZYAYGVLNHZBDK-OAHLLOKOSA-N 1 0 319.449 3.628 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCO2)s1 ZINC000102419607 336287122 /nfs/dbraw/zinc/28/71/22/336287122.db2.gz UYQFATBTYXHKJF-LBPRGKRZSA-N 1 0 318.398 3.592 20 5 DHBDRO CCN(CC)c1ccc(CNc2cccc(F)c2[N+](=O)[O-])cn1 ZINC000301064114 336288032 /nfs/dbraw/zinc/28/80/32/336288032.db2.gz CXQAZENXEXSSRC-UHFFFAOYSA-N 1 0 318.352 3.587 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000301073685 336288479 /nfs/dbraw/zinc/28/84/79/336288479.db2.gz BBNAFQJYCTWFOQ-UHFFFAOYSA-N 1 0 313.401 3.967 20 5 DHBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301091066 336289485 /nfs/dbraw/zinc/28/94/85/336289485.db2.gz LCDNJDAJLLQEOX-ZDUSSCGKSA-N 1 0 309.385 3.658 20 5 DHBDRO C[C@H]([NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000301161417 336292592 /nfs/dbraw/zinc/29/25/92/336292592.db2.gz BOYXOLXNXGRYSS-ZDUSSCGKSA-N 1 0 314.389 3.531 20 5 DHBDRO C[NH+](C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000301162981 336292742 /nfs/dbraw/zinc/29/27/42/336292742.db2.gz FVRPURWEKHZDRS-OAHLLOKOSA-N 1 0 321.327 3.588 20 5 DHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(Cl)c1 ZINC000301183404 336293762 /nfs/dbraw/zinc/29/37/62/336293762.db2.gz IWMKDWVZVCPMOS-LLVKDONJSA-N 1 0 309.797 3.677 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000301346997 336301697 /nfs/dbraw/zinc/30/16/97/336301697.db2.gz HEVZANIINIUAQO-AWEZNQCLSA-N 1 0 323.824 3.703 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000301462922 336308374 /nfs/dbraw/zinc/30/83/74/336308374.db2.gz OQBPKJBDQBETNG-CYBMUJFWSA-N 1 0 323.824 3.560 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000301462924 336308398 /nfs/dbraw/zinc/30/83/98/336308398.db2.gz OQBPKJBDQBETNG-ZDUSSCGKSA-N 1 0 323.824 3.560 20 5 DHBDRO O=[N+]([O-])c1c(F)cccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000301544698 336313680 /nfs/dbraw/zinc/31/36/80/336313680.db2.gz OOAGZJDTGGAXMP-UHFFFAOYSA-N 1 0 321.396 3.943 20 5 DHBDRO C[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(C)(C)C[NH+](C)C ZINC000301636772 336319790 /nfs/dbraw/zinc/31/97/90/336319790.db2.gz LRIJSKXPNLEMCT-LBPRGKRZSA-N 1 0 316.405 3.531 20 5 DHBDRO CCOc1cc(NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000301783455 336329585 /nfs/dbraw/zinc/32/95/85/336329585.db2.gz KJOQNYZUXQXFNF-UHFFFAOYSA-N 1 0 321.421 3.526 20 5 DHBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301978222 336341098 /nfs/dbraw/zinc/34/10/98/336341098.db2.gz DYHJPVJOJXWFHZ-CQSZACIVSA-N 1 0 317.414 3.733 20 5 DHBDRO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302052747 336345643 /nfs/dbraw/zinc/34/56/43/336345643.db2.gz OYLSVPROBGKCFC-STQMWFEESA-N 1 0 321.396 3.799 20 5 DHBDRO Cc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000302058281 336346117 /nfs/dbraw/zinc/34/61/17/336346117.db2.gz RMHVQGVPKOCZMR-LSDHHAIUSA-N 1 0 317.433 3.968 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)cccc1[N+](=O)[O-] ZINC000353192298 336405992 /nfs/dbraw/zinc/40/59/92/336405992.db2.gz LLBRHXLODOAYDA-GFCCVEGCSA-N 1 0 310.357 3.630 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(F)(F)CC2)c(Cl)c1 ZINC000390076411 336933682 /nfs/dbraw/zinc/93/36/82/336933682.db2.gz XBTAYDZAJRQKMD-UHFFFAOYSA-N 1 0 304.724 3.916 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000123255996 337041446 /nfs/dbraw/zinc/04/14/46/337041446.db2.gz SJMKEZVLNRCMGX-KRWDZBQOSA-N 1 0 312.369 3.641 20 5 DHBDRO CC[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000321288141 337255286 /nfs/dbraw/zinc/25/52/86/337255286.db2.gz JSGJNQJLYYHOBW-SJORKVTESA-N 1 0 312.369 3.639 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000321303879 337255773 /nfs/dbraw/zinc/25/57/73/337255773.db2.gz NCPGXAHHPSYLRK-BBRMVZONSA-N 1 0 312.369 3.558 20 5 DHBDRO CCOCC(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000584553200 337360563 /nfs/dbraw/zinc/36/05/63/337360563.db2.gz KOEBYKIBLJTTKS-MRXNPFEDSA-N 1 0 320.433 3.568 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cs1 ZINC000237723023 337469247 /nfs/dbraw/zinc/46/92/47/337469247.db2.gz GUALQDTTZGUTLR-UHFFFAOYSA-N 1 0 319.361 3.609 20 5 DHBDRO CC[C@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000421392592 337530556 /nfs/dbraw/zinc/53/05/56/337530556.db2.gz XNZUYFXAUDLZHH-NSHDSACASA-N 1 0 305.403 3.854 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cccc1[N+](=O)[O-] ZINC000247073119 337557523 /nfs/dbraw/zinc/55/75/23/337557523.db2.gz NDCTVGFQOSJLAY-FAYQHZLMSA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000284508742 337582563 /nfs/dbraw/zinc/58/25/63/337582563.db2.gz YGCVJOCTNXTJFE-LBPRGKRZSA-N 1 0 314.389 3.533 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000421856713 337650546 /nfs/dbraw/zinc/65/05/46/337650546.db2.gz NYUVAUBTTLTQNX-UAGQMJEPSA-N 1 0 306.406 3.983 20 5 DHBDRO Cc1c([C@H](C)NCC2([NH3+])CCCCCC2)cccc1[N+](=O)[O-] ZINC000423201615 337703646 /nfs/dbraw/zinc/70/36/46/337703646.db2.gz PCYBTYAKGDDULU-AWEZNQCLSA-N 1 0 305.422 3.606 20 5 DHBDRO COc1cccc(C[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000536861467 337746923 /nfs/dbraw/zinc/74/69/23/337746923.db2.gz CLAASQGRQOALKH-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000424275522 337814180 /nfs/dbraw/zinc/81/41/80/337814180.db2.gz BZILTRDYZUZDFM-LAVKHLEISA-N 1 0 324.808 3.541 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H]1C(F)F ZINC000516190661 338006437 /nfs/dbraw/zinc/00/64/37/338006437.db2.gz CYEHVOSVKOKPJV-VWYCJHECSA-N 1 0 316.373 3.709 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000516247990 338008704 /nfs/dbraw/zinc/00/87/04/338008704.db2.gz AUIKCUYSSBBJLB-ZIAGYGMSSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000516313845 338009554 /nfs/dbraw/zinc/00/95/54/338009554.db2.gz XQVLQALWYRJSMG-WMZOPIPTSA-N 1 0 318.417 3.503 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1(O)CCCCCC1 ZINC000426265925 338024127 /nfs/dbraw/zinc/02/41/27/338024127.db2.gz WKQWHUQIGPGWAV-AWEZNQCLSA-N 1 0 306.406 3.673 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)co2)cc1 ZINC000426473124 338033171 /nfs/dbraw/zinc/03/31/71/338033171.db2.gz QNAQDRQHPIIIJQ-WBMJQRKESA-N 1 0 313.357 3.624 20 5 DHBDRO CO[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429271094 338075350 /nfs/dbraw/zinc/07/53/50/338075350.db2.gz GJOWRRXZYKNFJH-QGZVFWFLSA-N 1 0 314.385 3.807 20 5 DHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429683092 338087330 /nfs/dbraw/zinc/08/73/30/338087330.db2.gz INMHHSYETVMPBI-DZGCQCFKSA-N 1 0 312.410 3.888 20 5 DHBDRO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](C)CO ZINC000430084754 338095387 /nfs/dbraw/zinc/09/53/87/338095387.db2.gz LVMBRZLNHKMRFX-GFCCVEGCSA-N 1 0 320.414 3.526 20 5 DHBDRO COCC(C)(C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000430143097 338098996 /nfs/dbraw/zinc/09/89/96/338098996.db2.gz WQSSWIYGLCWVCX-UHFFFAOYSA-N 1 0 318.373 3.712 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000430211838 338101674 /nfs/dbraw/zinc/10/16/74/338101674.db2.gz BEBHCFHMKAFIJF-INIZCTEOSA-N 1 0 318.398 3.906 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232221 338102344 /nfs/dbraw/zinc/10/23/44/338102344.db2.gz FWGQEWVMCGWENA-UKRRQHHQSA-N 1 0 324.446 3.709 20 5 DHBDRO CC(C)(C)OC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000432240156 338149892 /nfs/dbraw/zinc/14/98/92/338149892.db2.gz CFGYTERPDNWLIM-UHFFFAOYSA-N 1 0 324.396 3.807 20 5 DHBDRO CSC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433077779 338180616 /nfs/dbraw/zinc/18/06/16/338180616.db2.gz PLNYZJLVLMVMQM-AWEZNQCLSA-N 1 0 306.431 3.802 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCc2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000433174911 338183996 /nfs/dbraw/zinc/18/39/96/338183996.db2.gz OGDBCMUUVQSROW-MRXNPFEDSA-N 1 0 300.358 3.743 20 5 DHBDRO CC(C)(C)C[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433272316 338188932 /nfs/dbraw/zinc/18/89/32/338188932.db2.gz HPAOMMLXDXHEOQ-CZUORRHYSA-N 1 0 320.433 3.704 20 5 DHBDRO CCC[C@H](CCO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433286584 338189391 /nfs/dbraw/zinc/18/93/91/338189391.db2.gz VDPDHUVRXLGTOT-DYVFJYSZSA-N 1 0 320.433 3.706 20 5 DHBDRO CC(C)(C)C[C@@H](CO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433298405 338190073 /nfs/dbraw/zinc/19/00/73/338190073.db2.gz OOQKXUVVWMICHO-LRDDRELGSA-N 1 0 320.433 3.704 20 5 DHBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)cs1 ZINC000435726556 338246357 /nfs/dbraw/zinc/24/63/57/338246357.db2.gz QTCGQJWWPVXLSO-HNNXBMFYSA-N 1 0 323.462 3.543 20 5 DHBDRO CSCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000439480098 338371139 /nfs/dbraw/zinc/37/11/39/338371139.db2.gz WUOKDRSVHAELIQ-UHFFFAOYSA-N 1 0 312.435 3.567 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CCC(C)(C)C)CC1 ZINC000441220154 338405724 /nfs/dbraw/zinc/40/57/24/338405724.db2.gz SKPXIDOUOADJCQ-OAHLLOKOSA-N 1 0 319.449 3.710 20 5 DHBDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537991 338555167 /nfs/dbraw/zinc/55/51/67/338555167.db2.gz ACSVKNPOJHACCQ-QZTJIDSGSA-N 1 0 320.433 3.749 20 5 DHBDRO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447599332 338561225 /nfs/dbraw/zinc/56/12/25/338561225.db2.gz JNUUHRSRBSAZBG-NOZJJQNGSA-N 1 0 302.296 3.903 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cc(F)cc(F)c1 ZINC000449118785 338594932 /nfs/dbraw/zinc/59/49/32/338594932.db2.gz UMPCREHEPLSDOJ-GFCCVEGCSA-N 1 0 320.339 3.636 20 5 DHBDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449205732 338602348 /nfs/dbraw/zinc/60/23/48/338602348.db2.gz OXKNQIAQMNONFD-KBPBESRZSA-N 1 0 313.401 3.834 20 5 DHBDRO C[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000449346769 338615806 /nfs/dbraw/zinc/61/58/06/338615806.db2.gz DDQGGHFPHOAJGN-GXTWGEPZSA-N 1 0 321.380 3.894 20 5 DHBDRO CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000453321405 338824552 /nfs/dbraw/zinc/82/45/52/338824552.db2.gz QUAXBXWRWDGIHK-GRDNDAEWSA-N 1 0 306.406 3.697 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC(F)(F)C1 ZINC000453420417 338840874 /nfs/dbraw/zinc/84/08/74/338840874.db2.gz LOCCKSCDCINNBK-GFCCVEGCSA-N 1 0 312.360 3.941 20 5 DHBDRO COc1cc(C[NH2+]CC(C)(C)C2=CCCC2)c([N+](=O)[O-])cc1O ZINC000453588601 338849505 /nfs/dbraw/zinc/84/95/05/338849505.db2.gz ZCSKFMAZTMBYHW-UHFFFAOYSA-N 1 0 320.389 3.535 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CC(F)(F)C1 ZINC000453589047 338849586 /nfs/dbraw/zinc/84/95/86/338849586.db2.gz MDBROXCIVFTPPY-UHFFFAOYSA-N 1 0 314.332 3.519 20 5 DHBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)O1 ZINC000453624395 338851361 /nfs/dbraw/zinc/85/13/61/338851361.db2.gz CKHHNMZIXGIHQY-WFASDCNBSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ccccc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000195651139 338912357 /nfs/dbraw/zinc/91/23/57/338912357.db2.gz PSPJIMCAPIJQED-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO Cc1cccc(OCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000195670126 338913811 /nfs/dbraw/zinc/91/38/11/338913811.db2.gz ZLZDMZLMWULRDY-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[C@H]1SC ZINC000459431712 339028810 /nfs/dbraw/zinc/02/88/10/339028810.db2.gz SVQPGTOESVPSIK-CAOSSQGBSA-N 1 0 324.446 3.545 20 5 DHBDRO CC(C)OC1CC([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000459524961 339034115 /nfs/dbraw/zinc/03/41/15/339034115.db2.gz XANUNLYLRGTSFI-FAEJEUNOSA-N 1 0 318.417 3.730 20 5 DHBDRO C[C@H](C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459785317 339048493 /nfs/dbraw/zinc/04/84/93/339048493.db2.gz ARKWXSHHWSNXTI-OLZOCXBDSA-N 1 0 322.405 3.565 20 5 DHBDRO C[C@H](CCc1ccsc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000462794134 339089117 /nfs/dbraw/zinc/08/91/17/339089117.db2.gz UFOPYSGAYOAUAL-CYBMUJFWSA-N 1 0 304.415 3.810 20 5 DHBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000463022528 339100815 /nfs/dbraw/zinc/10/08/15/339100815.db2.gz JRCHGEONUWCGNE-UHOFOFEASA-N 1 0 306.406 3.838 20 5 DHBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000463075105 339104396 /nfs/dbraw/zinc/10/43/96/339104396.db2.gz WWJBFRRUNCTWAB-ZDUSSCGKSA-N 1 0 311.813 3.559 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000463086594 339105308 /nfs/dbraw/zinc/10/53/08/339105308.db2.gz IKIBCHOMUBJWHX-HKUYNNGSSA-N 1 0 308.381 3.757 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000467435673 339238414 /nfs/dbraw/zinc/23/84/14/339238414.db2.gz ZEIQEBAGNLZMNX-GDBMZVCRSA-N 1 0 320.433 3.743 20 5 DHBDRO C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000467857773 339247751 /nfs/dbraw/zinc/24/77/51/339247751.db2.gz BSDSPJYRFKJDKU-KFWWJZLASA-N 1 0 305.422 3.508 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)C(F)(F)F ZINC000468601552 339266933 /nfs/dbraw/zinc/26/69/33/339266933.db2.gz UZSIOPDHMVLBSC-CDCCAWJDSA-N 1 0 302.296 3.786 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000468612618 339267058 /nfs/dbraw/zinc/26/70/58/339267058.db2.gz ZMAFOYBVJGPJGG-KFOKOMITSA-N 1 0 318.417 3.793 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccncc1C ZINC000468621902 339267318 /nfs/dbraw/zinc/26/73/18/339267318.db2.gz RXPNYPGLGJYKDK-GXDHUFHOSA-N 1 0 311.385 3.534 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)CCC(C)C ZINC000468627633 339267417 /nfs/dbraw/zinc/26/74/17/339267417.db2.gz GHLQTEDJEBMKLE-SPQRHKFCSA-N 1 0 320.433 3.775 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC(F)(F)F ZINC000468731836 339269362 /nfs/dbraw/zinc/26/93/62/339269362.db2.gz DFOZCNWTHWSQGQ-DHZHZOJOSA-N 1 0 302.296 3.930 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000470184664 339313333 /nfs/dbraw/zinc/31/33/33/339313333.db2.gz SUFOFGUUVUGPAH-IKFRKZOMSA-N 1 0 318.417 3.745 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000470206047 339314355 /nfs/dbraw/zinc/31/43/55/339314355.db2.gz HRFSDXGIHMGFGD-XNTDXEJSSA-N 1 0 316.401 3.501 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470949214 339332306 /nfs/dbraw/zinc/33/23/06/339332306.db2.gz WBPZSNDJOSTFHS-GBIKHYSHSA-N 1 0 302.296 3.929 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470949216 339332465 /nfs/dbraw/zinc/33/24/65/339332465.db2.gz WBPZSNDJOSTFHS-GIPNMCIBSA-N 1 0 302.296 3.929 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CCCCC1 ZINC000473736238 339391081 /nfs/dbraw/zinc/39/10/81/339391081.db2.gz PBSQPVWEXQZQBX-SFHVURJKSA-N 1 0 320.433 3.746 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CC1CCCC1 ZINC000473733448 339391092 /nfs/dbraw/zinc/39/10/92/339391092.db2.gz IFOUHIQXPJTDMH-GOSISDBHSA-N 1 0 320.433 3.746 20 5 DHBDRO CCc1cccc(F)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000474808823 339427268 /nfs/dbraw/zinc/42/72/68/339427268.db2.gz LCGRJMLOMNHLRS-UHFFFAOYSA-N 1 0 302.349 3.629 20 5 DHBDRO COC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000480657352 339581441 /nfs/dbraw/zinc/58/14/41/339581441.db2.gz FSNRFVHJVVIBCG-AWEZNQCLSA-N 1 0 306.406 3.903 20 5 DHBDRO C[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000480884846 339589508 /nfs/dbraw/zinc/58/95/08/339589508.db2.gz NZYKZCXXDVSIFJ-JKIFEVAISA-N 1 0 306.406 3.841 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@](C)(O)[C@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000482972989 339648896 /nfs/dbraw/zinc/64/88/96/339648896.db2.gz SKMRUEINNSBOIU-XOKHGSTOSA-N 1 0 308.422 3.823 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000483714170 339672387 /nfs/dbraw/zinc/67/23/87/339672387.db2.gz UHRYTAWEPVELCF-CZUORRHYSA-N 1 0 306.406 3.759 20 5 DHBDRO COc1cc(C[NH+]2CCC3(CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000490026824 339823870 /nfs/dbraw/zinc/82/38/70/339823870.db2.gz APSKLOJBCROXNP-UHFFFAOYSA-N 1 0 304.390 3.760 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000492786883 339908866 /nfs/dbraw/zinc/90/88/66/339908866.db2.gz ZZITVJXFRUPHCL-DYVFJYSZSA-N 1 0 306.406 3.759 20 5 DHBDRO CCCC[C@@H](COC)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495368254 339981741 /nfs/dbraw/zinc/98/17/41/339981741.db2.gz FUUZHHIGKQPWIW-AWEZNQCLSA-N 1 0 314.813 3.586 20 5 DHBDRO O=[N+]([O-])c1ccc(CCNc2cc[nH+]c3cc(F)ccc23)cc1 ZINC000500484906 340060318 /nfs/dbraw/zinc/06/03/18/340060318.db2.gz FWKVPRMLHQKSHN-UHFFFAOYSA-N 1 0 311.316 3.937 20 5 DHBDRO CCC(C)(C)OCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000308692159 340148389 /nfs/dbraw/zinc/14/83/89/340148389.db2.gz KMPGMTRRQUATEO-UHFFFAOYSA-N 1 0 300.786 3.543 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccccc2)cc1[N+](=O)[O-] ZINC000504889074 340154769 /nfs/dbraw/zinc/15/47/69/340154769.db2.gz SIHLDJIGBNMOFB-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCO1 ZINC000504905924 340155711 /nfs/dbraw/zinc/15/57/11/340155711.db2.gz PSDLHCJKRZOXGV-UONOGXRCSA-N 1 0 324.446 3.624 20 5 DHBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000505608363 340172759 /nfs/dbraw/zinc/17/27/59/340172759.db2.gz LAKQYZSDNGLSIT-VXGBXAGGSA-N 1 0 311.813 3.781 20 5 DHBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000505636361 340173782 /nfs/dbraw/zinc/17/37/82/340173782.db2.gz QHMGAULMDNFCHT-YVMONPNESA-N 1 0 300.333 3.879 20 5 DHBDRO CC(C)[NH+](CCN(C)C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000507890116 340235189 /nfs/dbraw/zinc/23/51/89/340235189.db2.gz MMGMBXKVJMQCJK-NTMALXAHSA-N 1 0 319.449 3.659 20 5 DHBDRO CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000402563212 340243147 /nfs/dbraw/zinc/24/31/47/340243147.db2.gz KZDAFPSRHPEDME-SECBINFHSA-N 1 0 308.275 3.802 20 5 DHBDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000402612926 340247173 /nfs/dbraw/zinc/24/71/73/340247173.db2.gz GYPIMMKMRNBYNE-SNVBAGLBSA-N 1 0 320.311 3.672 20 5 DHBDRO Cc1cccc(CN(C)Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000509329423 340266511 /nfs/dbraw/zinc/26/65/11/340266511.db2.gz YSHSASVPQGPDAL-UHFFFAOYSA-N 1 0 306.312 3.813 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000509515917 340271945 /nfs/dbraw/zinc/27/19/45/340271945.db2.gz LZLFLIIHQUBPQH-ZFWWWQNUSA-N 1 0 312.369 3.639 20 5 DHBDRO COCC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000509949923 340283678 /nfs/dbraw/zinc/28/36/78/340283678.db2.gz UKSNDMVFNNKAGB-DZFYGRHCSA-N 1 0 306.406 3.649 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000510933181 340315445 /nfs/dbraw/zinc/31/54/45/340315445.db2.gz MVJWFMAITDETOC-XJKSGUPXSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccncc1F ZINC000510994214 340317381 /nfs/dbraw/zinc/31/73/81/340317381.db2.gz ALVMUYCVCIOKFF-CHWSQXEVSA-N 1 0 317.364 3.801 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C/c2ccc(F)c(F)c2)cc1 ZINC000512024045 340345749 /nfs/dbraw/zinc/34/57/49/340345749.db2.gz LVYIEINBHMYPID-OWOJBTEDSA-N 1 0 318.323 3.719 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]C/C=C\c2ccc(F)c(F)c2)c1 ZINC000512050365 340346738 /nfs/dbraw/zinc/34/67/38/340346738.db2.gz BVSPYTPKGRRLBN-RQOWECAXSA-N 1 0 318.323 3.719 20 5 DHBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512868749 340381765 /nfs/dbraw/zinc/38/17/65/340381765.db2.gz HXGOHNIDXPCUNS-BXUZGUMPSA-N 1 0 318.398 3.696 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C(F)(F)F)CC1 ZINC000512914306 340383758 /nfs/dbraw/zinc/38/37/58/340383758.db2.gz YVBDQHXXINXNOS-XFFZJAGNSA-N 1 0 314.307 3.930 20 5 DHBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564151798 340482144 /nfs/dbraw/zinc/48/21/44/340482144.db2.gz JNMOLTFOIITBBR-MLGOLLRUSA-N 1 0 301.390 3.787 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000315765300 340676662 /nfs/dbraw/zinc/67/66/62/340676662.db2.gz PXAVMCRYDOAPHX-KRWDZBQOSA-N 1 0 300.358 3.584 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOc1ccc(F)cc1 ZINC000537918709 340775029 /nfs/dbraw/zinc/77/50/29/340775029.db2.gz GHMZZIWQWSUIQC-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncc(C)s1 ZINC000530326774 340787656 /nfs/dbraw/zinc/78/76/56/340787656.db2.gz MVZUOXWXEGJFNR-WDZFZDKYSA-N 1 0 303.387 3.553 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)SC ZINC000537952389 340792917 /nfs/dbraw/zinc/79/29/17/340792917.db2.gz CRVZSUNBLSRVTP-NWDGAFQWSA-N 1 0 314.476 3.807 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000537986479 340805537 /nfs/dbraw/zinc/80/55/37/340805537.db2.gz IHPUBCHMUMTZGB-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126658863 340830180 /nfs/dbraw/zinc/83/01/80/340830180.db2.gz FASMNFPVUPLVAY-KBPBESRZSA-N 1 0 314.385 3.972 20 5 DHBDRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539299623 340879992 /nfs/dbraw/zinc/87/99/92/340879992.db2.gz RCIFYEGMCABWLR-LRDDRELGSA-N 1 0 312.369 3.942 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2SCCc3ccccc32)cc1 ZINC000539531099 340889406 /nfs/dbraw/zinc/88/94/06/340889406.db2.gz NCZYVJNJFOKZIO-QGZVFWFLSA-N 1 0 314.410 3.715 20 5 DHBDRO CSc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000540136008 340916085 /nfs/dbraw/zinc/91/60/85/340916085.db2.gz IJVFYXFDHJLBMM-LBPRGKRZSA-N 1 0 317.414 3.871 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1cscn1 ZINC000129995596 340992461 /nfs/dbraw/zinc/99/24/61/340992461.db2.gz PJZMZPWIFRFUEE-IUODEOHRSA-N 1 0 317.414 3.552 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000542516848 341011592 /nfs/dbraw/zinc/01/15/92/341011592.db2.gz LHXPHDYGQNFBMQ-CQSZACIVSA-N 1 0 314.385 3.572 20 5 DHBDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000542687910 341017266 /nfs/dbraw/zinc/01/72/66/341017266.db2.gz GBHODYDJDBNPPA-CYBMUJFWSA-N 1 0 302.374 3.916 20 5 DHBDRO CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000564258952 341019624 /nfs/dbraw/zinc/01/96/24/341019624.db2.gz JDOFEUNWPWKVNM-LSDHHAIUSA-N 1 0 320.437 3.835 20 5 DHBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCSC1 ZINC000130531021 341026691 /nfs/dbraw/zinc/02/66/91/341026691.db2.gz PMIFKISZZHYTCW-AWEZNQCLSA-N 1 0 318.398 3.792 20 5 DHBDRO Cc1cc(N2CCC(C(F)F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543048528 341029317 /nfs/dbraw/zinc/02/93/17/341029317.db2.gz QNNNJFIJCLWSAP-UHFFFAOYSA-N 1 0 321.327 3.933 20 5 DHBDRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000543094210 341031686 /nfs/dbraw/zinc/03/16/86/341031686.db2.gz AFBIMDXGTUBIJN-KYNGSXCRSA-N 1 0 310.397 3.919 20 5 DHBDRO C[C@@H]1CCC[C@H](CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000543481239 341046626 /nfs/dbraw/zinc/04/66/26/341046626.db2.gz SHHUHDRNERMLNJ-ZIAGYGMSSA-N 1 0 303.406 3.564 20 5 DHBDRO COC1CCC(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000543617099 341051134 /nfs/dbraw/zinc/05/11/34/341051134.db2.gz SUCBFBDPXGUVPD-UHFFFAOYSA-N 1 0 306.406 3.588 20 5 DHBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000544185321 341073296 /nfs/dbraw/zinc/07/32/96/341073296.db2.gz ZTFGACNQUGYVOF-SJKOYZFVSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000545201024 341113354 /nfs/dbraw/zinc/11/33/54/341113354.db2.gz DDXOVXSJSACTCA-RVSPLBMKSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000545201023 341113387 /nfs/dbraw/zinc/11/33/87/341113387.db2.gz DDXOVXSJSACTCA-QEORTHHSSA-N 1 0 304.390 3.511 20 5 DHBDRO CCC(CC)(C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000545456250 341125697 /nfs/dbraw/zinc/12/56/97/341125697.db2.gz COPMVWAYICPEPX-CYBMUJFWSA-N 1 0 322.405 3.533 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000075831257 341185057 /nfs/dbraw/zinc/18/50/57/341185057.db2.gz XGJJAERVWACGRZ-CQSZACIVSA-N 1 0 322.380 3.658 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000078613102 341244899 /nfs/dbraw/zinc/24/48/99/341244899.db2.gz PIVRHMURQZVFSM-INIZCTEOSA-N 1 0 317.389 3.991 20 5 DHBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000548723054 341270648 /nfs/dbraw/zinc/27/06/48/341270648.db2.gz OWXBXUZCLLAEMZ-IUODEOHRSA-N 1 0 300.358 3.644 20 5 DHBDRO CCC(CC)(CC)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000081156861 341280351 /nfs/dbraw/zinc/28/03/51/341280351.db2.gz COGKXGPKBCSJNG-UHFFFAOYSA-N 1 0 318.377 3.703 20 5 DHBDRO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000549770658 341302747 /nfs/dbraw/zinc/30/27/47/341302747.db2.gz WAYNGOWQRFFIAK-UHFFFAOYSA-N 1 0 302.296 3.986 20 5 DHBDRO CC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000549809847 341303697 /nfs/dbraw/zinc/30/36/97/341303697.db2.gz IQWCZZBQAHABLW-UHFFFAOYSA-N 1 0 306.749 3.960 20 5 DHBDRO CCOc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000551238181 341334771 /nfs/dbraw/zinc/33/47/71/341334771.db2.gz VJIHFWKPGGAGEO-UHFFFAOYSA-N 1 0 320.776 3.937 20 5 DHBDRO CC(C)(C)C1CC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000551242667 341335290 /nfs/dbraw/zinc/33/52/90/341335290.db2.gz VWBGLFANOMKVLB-CVSAEHQPSA-N 1 0 320.437 3.689 20 5 DHBDRO CC(C)(C)C1CC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000551242670 341335364 /nfs/dbraw/zinc/33/53/64/341335364.db2.gz VWBGLFANOMKVLB-WUCCLRPBSA-N 1 0 320.437 3.689 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000551307532 341337985 /nfs/dbraw/zinc/33/79/85/341337985.db2.gz FDKGZHQFIUXXFA-OJLVUWQFSA-N 1 0 306.381 3.786 20 5 DHBDRO CC1(C)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000551520900 341343778 /nfs/dbraw/zinc/34/37/78/341343778.db2.gz UBKWTRQEFQSMPZ-LBPRGKRZSA-N 1 0 302.296 3.892 20 5 DHBDRO C[N@H+](CCOc1cccc(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000248010470 341372181 /nfs/dbraw/zinc/37/21/81/341372181.db2.gz BRWAAGVDBRVXGB-UHFFFAOYSA-N 1 0 320.776 3.759 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCc2ccc(F)cc2C1 ZINC000552242550 341380649 /nfs/dbraw/zinc/38/06/49/341380649.db2.gz VDQKCMJTUVGUML-HWKANZROSA-N 1 0 312.344 3.805 20 5 DHBDRO COc1cc(C[NH2+]CC(C)(C)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000552273229 341382630 /nfs/dbraw/zinc/38/26/30/341382630.db2.gz ZCRWEOKQUDTTJQ-UHFFFAOYSA-N 1 0 324.421 3.774 20 5 DHBDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000089512007 341405215 /nfs/dbraw/zinc/40/52/15/341405215.db2.gz JZBITHHYGFDSCI-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000566750215 341567185 /nfs/dbraw/zinc/56/71/85/341567185.db2.gz NHOATKQPSJSHDM-BBRMVZONSA-N 1 0 304.390 3.737 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](OC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000154093647 341584532 /nfs/dbraw/zinc/58/45/32/341584532.db2.gz AYTUKJSABMPBON-WBMJQRKESA-N 1 0 324.421 3.705 20 5 DHBDRO CCC[C@H]([NH2+]CCc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000154965234 341599064 /nfs/dbraw/zinc/59/90/64/341599064.db2.gz QYZXFWMRYYPUMR-KRWDZBQOSA-N 1 0 314.385 3.974 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000575748836 341802360 /nfs/dbraw/zinc/80/23/60/341802360.db2.gz OHLYIOBOJURSMK-YUTCNCBUSA-N 1 0 310.369 3.925 20 5 DHBDRO Cc1ccc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000576341124 341841251 /nfs/dbraw/zinc/84/12/51/341841251.db2.gz VUSBUUCLDRJRRH-QGZVFWFLSA-N 1 0 300.358 3.706 20 5 DHBDRO COc1ccc(C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000576554847 341852264 /nfs/dbraw/zinc/85/22/64/341852264.db2.gz XUPQOXOOVOLKHT-IUODEOHRSA-N 1 0 304.390 3.685 20 5 DHBDRO CC(C)SCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000338305853 519787332 /nfs/dbraw/zinc/78/73/32/519787332.db2.gz MKDHSPNLRVMAIU-UHFFFAOYSA-N 1 0 324.446 3.580 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000339457048 519836226 /nfs/dbraw/zinc/83/62/26/519836226.db2.gz BQFLWDVEDCQUEN-LBPRGKRZSA-N 1 0 315.373 3.670 20 5 DHBDRO CC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOCC1 ZINC000131163384 520767311 /nfs/dbraw/zinc/76/73/11/520767311.db2.gz MWROMGRTPUQQRR-UHFFFAOYSA-N 1 0 316.357 3.514 20 5 DHBDRO CCC(C)(C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000265204145 521304295 /nfs/dbraw/zinc/30/42/95/521304295.db2.gz KLUQFAQOCDDJND-UHFFFAOYSA-N 1 0 317.389 3.913 20 5 DHBDRO CCOC1CC(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000189251266 521645660 /nfs/dbraw/zinc/64/56/60/521645660.db2.gz TYEGNFTZOSYQIU-HPUBIQBYSA-N 1 0 320.433 3.711 20 5 DHBDRO COc1cc(C[NH2+]C[C@H]2CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000339577820 522462624 /nfs/dbraw/zinc/46/26/24/522462624.db2.gz RNIZCPWLKXSYEL-CYBMUJFWSA-N 1 0 322.405 3.528 20 5 DHBDRO COC1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000265446624 522684590 /nfs/dbraw/zinc/68/45/90/522684590.db2.gz JMIMSOBJEZAZBJ-UHFFFAOYSA-N 1 0 312.797 3.638 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338016390 522705670 /nfs/dbraw/zinc/70/56/70/522705670.db2.gz KVQKGRGTQBWLLX-WBVHZDCISA-N 1 0 306.406 3.577 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000131500478 523953162 /nfs/dbraw/zinc/95/31/62/523953162.db2.gz XJJYJNOMAQZDBY-CXAGYDPISA-N 1 0 300.358 3.633 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266776856 525499401 /nfs/dbraw/zinc/49/94/01/525499401.db2.gz BVOHDLAQGYOKNP-MLGOLLRUSA-N 1 0 319.430 3.610 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000180718640 525627009 /nfs/dbraw/zinc/62/70/09/525627009.db2.gz BFAXQPAGOLXVQC-ZBEGNZNMSA-N 1 0 316.332 3.908 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000188055937 525689313 /nfs/dbraw/zinc/68/93/13/525689313.db2.gz VVANQNYSMLLZNJ-BZNIZROVSA-N 1 0 316.332 3.908 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000268831536 525894903 /nfs/dbraw/zinc/89/49/03/525894903.db2.gz WNHIZQSUMRXOQT-CYBMUJFWSA-N 1 0 300.358 3.502 20 5 DHBDRO Cc1nc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000127669122 526826521 /nfs/dbraw/zinc/82/65/21/526826521.db2.gz MUXHUULGNTZGHN-NSHDSACASA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1nc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)sc1C ZINC000127745271 526827360 /nfs/dbraw/zinc/82/73/60/526827360.db2.gz CJRBVFYOSGCONM-LBPRGKRZSA-N 1 0 319.430 3.870 20 5 DHBDRO Cc1nc2c(s1)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])CCC2 ZINC000268924699 527108546 /nfs/dbraw/zinc/10/85/46/527108546.db2.gz KPJPWJRXKAFBLN-ZDUSSCGKSA-N 1 0 317.414 3.569 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCOC3)s2)cc1 ZINC000237989983 527343370 /nfs/dbraw/zinc/34/33/70/527343370.db2.gz KWZJQWJQDYMBPT-ZDUSSCGKSA-N 1 0 318.398 3.592 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000286930981 535411224 /nfs/dbraw/zinc/41/12/24/535411224.db2.gz GGOZJYHSXFREMB-OLZOCXBDSA-N 1 0 324.446 3.787 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCC4(CC4)CC3)c2c1 ZINC000561753266 1032066058 /nfs/dbraw/zinc/06/60/58/1032066058.db2.gz OAPOOMHGADHQEE-UHFFFAOYSA-N 1 0 313.401 3.931 20 5 DHBDRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000519037157 1013265526 /nfs/dbraw/zinc/26/55/26/1013265526.db2.gz RYTLPNUJVXNPCK-BBRMVZONSA-N 1 0 312.369 3.558 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)CCc2ccccn2)cc1[N+](=O)[O-] ZINC000120799965 1013342903 /nfs/dbraw/zinc/34/29/03/1013342903.db2.gz CXTGLXVBRUWYPG-UHFFFAOYSA-N 1 0 313.401 3.788 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000109781000 1013749801 /nfs/dbraw/zinc/74/98/01/1013749801.db2.gz ZZRFKLSIFPORIY-LBPRGKRZSA-N 1 0 316.357 3.502 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610341918 1013949734 /nfs/dbraw/zinc/94/97/34/1013949734.db2.gz JDFYZFSGJPDSIF-GJZGRUSLSA-N 1 0 311.385 3.524 20 5 DHBDRO CC(C)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001167424527 1014257864 /nfs/dbraw/zinc/25/78/64/1014257864.db2.gz KZNILSSWQWIYDI-OAHLLOKOSA-N 1 0 306.406 3.732 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)c1ccccc1 ZINC000237192368 1014348655 /nfs/dbraw/zinc/34/86/55/1014348655.db2.gz PFBNVPKJAPNARK-UHFFFAOYSA-N 1 0 314.385 3.671 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000580802736 1014356187 /nfs/dbraw/zinc/35/61/87/1014356187.db2.gz OYXZRLTZQHDGRC-JQFCIGGWSA-N 1 0 318.417 3.854 20 5 DHBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000610469606 1014475372 /nfs/dbraw/zinc/47/53/72/1014475372.db2.gz IBSPKLJSKCHZSB-UHFFFAOYSA-N 1 0 309.435 3.865 20 5 DHBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000063282612 1014498919 /nfs/dbraw/zinc/49/89/19/1014498919.db2.gz VMCVGWDRDIWRPI-UHFFFAOYSA-N 1 0 309.435 3.723 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000610476369 1014544328 /nfs/dbraw/zinc/54/43/28/1014544328.db2.gz AYIPXIFYYSAREU-ZDUSSCGKSA-N 1 0 316.357 3.576 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000521578719 1014737803 /nfs/dbraw/zinc/73/78/03/1014737803.db2.gz MMBSZMGEWJAWMJ-CQSZACIVSA-N 1 0 313.401 3.927 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000165636401 1014770281 /nfs/dbraw/zinc/77/02/81/1014770281.db2.gz YOGPSJPAWZVKLQ-HNNXBMFYSA-N 1 0 320.433 3.887 20 5 DHBDRO CO[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000443069028 1014799275 /nfs/dbraw/zinc/79/92/75/1014799275.db2.gz ODUUIMRBRLJJDU-HIFRSBDPSA-N 1 0 306.406 3.718 20 5 DHBDRO CC[C@H]([NH2+]CC1(CCO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000165669816 1014805044 /nfs/dbraw/zinc/80/50/44/1014805044.db2.gz YTKPYBYKGNVMJL-KRWDZBQOSA-N 1 0 320.433 3.968 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@H]2c2cccc(F)c2)cc1 ZINC000610504859 1014817417 /nfs/dbraw/zinc/81/74/17/1014817417.db2.gz CIGUUOWGSKTIHG-KRWDZBQOSA-N 1 0 316.332 3.560 20 5 DHBDRO Cc1c(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000443326380 1014872536 /nfs/dbraw/zinc/87/25/36/1014872536.db2.gz BLLXKBFDUHMAIN-UHFFFAOYSA-N 1 0 318.417 3.827 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2cccnc2)C2CCC2)c1 ZINC000280846005 1014916100 /nfs/dbraw/zinc/91/61/00/1014916100.db2.gz MHFPAXGDBWNBOD-GOSISDBHSA-N 1 0 311.385 3.663 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2cccnc2)C2CCC2)c1 ZINC000280846015 1014916559 /nfs/dbraw/zinc/91/65/59/1014916559.db2.gz MHFPAXGDBWNBOD-SFHVURJKSA-N 1 0 311.385 3.663 20 5 DHBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1Br ZINC001226870853 1014965719 /nfs/dbraw/zinc/96/57/19/1014965719.db2.gz NCFNTLFOOMNBFM-VIFPVBQESA-N 1 0 307.639 3.576 20 5 DHBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610515114 1015065640 /nfs/dbraw/zinc/06/56/40/1015065640.db2.gz NRWWKXGZKYXEOL-UHFFFAOYSA-N 1 0 311.451 3.605 20 5 DHBDRO O=[N+]([O-])c1ccccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000025280641 1015148234 /nfs/dbraw/zinc/14/82/34/1015148234.db2.gz ZGDGAKDIOSXXMI-SFHVURJKSA-N 1 0 311.385 3.844 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000846847755 1032111637 /nfs/dbraw/zinc/11/16/37/1032111637.db2.gz NXGBLICIZMWUKS-SNVBAGLBSA-N 1 0 323.755 3.942 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC2(CCCCO2)CC1 ZINC000895659122 1015245842 /nfs/dbraw/zinc/24/58/42/1015245842.db2.gz SQPSMXPIZPSGNA-ALCCZGGFSA-N 1 0 316.401 3.643 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000895663347 1015247847 /nfs/dbraw/zinc/24/78/47/1015247847.db2.gz JYDIXUIOFIIIIM-JSGCOSHPSA-N 1 0 312.797 3.543 20 5 DHBDRO COc1cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1F ZINC000090909893 1015298242 /nfs/dbraw/zinc/29/82/42/1015298242.db2.gz SAUYIFYBMUPFSE-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185644535 1015606473 /nfs/dbraw/zinc/60/64/73/1015606473.db2.gz VJKYQOQMLLSHCO-LRDDRELGSA-N 1 0 315.373 3.870 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3C3CCCC3)nc2c1 ZINC000610581218 1015629709 /nfs/dbraw/zinc/62/97/09/1015629709.db2.gz NONPHSWTVAHYJI-OAHLLOKOSA-N 1 0 315.373 3.891 20 5 DHBDRO CC1CCC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000610580767 1015629856 /nfs/dbraw/zinc/62/98/56/1015629856.db2.gz GGEOIQBLICIDKE-UHFFFAOYSA-N 1 0 303.362 3.747 20 5 DHBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000610709510 1015729708 /nfs/dbraw/zinc/72/97/08/1015729708.db2.gz VDWRHFMMYWTTLC-GXTWGEPZSA-N 1 0 317.414 3.731 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2c(F)cccc2[N+](=O)[O-])c1 ZINC000341839319 1015763909 /nfs/dbraw/zinc/76/39/09/1015763909.db2.gz GCFFLWBRIXQJAI-UHFFFAOYSA-N 1 0 317.364 3.798 20 5 DHBDRO Cc1ccc([C@H](C)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000477911550 1015793698 /nfs/dbraw/zinc/79/36/98/1015793698.db2.gz IGXUAOMOBLROGP-HNNXBMFYSA-N 1 0 319.449 3.676 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2cccnc2)C2CCC2)cc1 ZINC000280964871 1015814593 /nfs/dbraw/zinc/81/45/93/1015814593.db2.gz VAWWLUCHYCSJEI-GOSISDBHSA-N 1 0 311.385 3.663 20 5 DHBDRO Cc1csc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000610799143 1015844440 /nfs/dbraw/zinc/84/44/40/1015844440.db2.gz VXQHVLXDMXHRHH-LBPRGKRZSA-N 1 0 305.403 3.561 20 5 DHBDRO CC[C@H]([NH2+]CC1(N(C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000320228988 1015850362 /nfs/dbraw/zinc/85/03/62/1015850362.db2.gz WNBCLLFYOJLFFK-KRWDZBQOSA-N 1 0 319.449 3.900 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC(F)(F)C1 ZINC000277067683 1015862559 /nfs/dbraw/zinc/86/25/59/1015862559.db2.gz INNSHHYUHVSIMU-SNVBAGLBSA-N 1 0 316.373 3.853 20 5 DHBDRO C[C@H]1c2ccsc2CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065209048 1015971215 /nfs/dbraw/zinc/97/12/15/1015971215.db2.gz XGYBHJNHWVKIJR-LBPRGKRZSA-N 1 0 318.398 3.654 20 5 DHBDRO C[C@H](c1ccccc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208892 1015971305 /nfs/dbraw/zinc/97/13/05/1015971305.db2.gz MCIYCXLABPRVMC-CQSZACIVSA-N 1 0 300.358 3.667 20 5 DHBDRO C=C/C=C\CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167499566 1016073850 /nfs/dbraw/zinc/07/38/50/1016073850.db2.gz LDYMBFROWGRYKJ-ARJAWSKDSA-N 1 0 302.374 3.570 20 5 DHBDRO C[C@@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000320290607 1016077858 /nfs/dbraw/zinc/07/78/58/1016077858.db2.gz YOUKQHJLCQKCGT-IIDMSEBBSA-N 1 0 319.449 3.756 20 5 DHBDRO CCC[C@H](N[C@H](C)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000320343926 1016102570 /nfs/dbraw/zinc/10/25/70/1016102570.db2.gz JSNSAPAWDDDAPL-PBHICJAKSA-N 1 0 307.438 3.754 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@H+](Cc2ccccc2)C2CC2)cc1 ZINC000065532974 1016213300 /nfs/dbraw/zinc/21/33/00/1016213300.db2.gz FDWGAGCTJGTPMW-UHFFFAOYSA-N 1 0 312.369 3.638 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000072111959 1016407307 /nfs/dbraw/zinc/40/73/07/1016407307.db2.gz NIOSITJFNYCHBS-MRXNPFEDSA-N 1 0 319.792 3.963 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000072111958 1016408123 /nfs/dbraw/zinc/40/81/23/1016408123.db2.gz NIOSITJFNYCHBS-INIZCTEOSA-N 1 0 319.792 3.963 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000076416455 1016461220 /nfs/dbraw/zinc/46/12/20/1016461220.db2.gz XIRVZHIVXIVFJR-CYBMUJFWSA-N 1 0 322.405 3.710 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(Cl)o1 ZINC000478353929 1016677034 /nfs/dbraw/zinc/67/70/34/1016677034.db2.gz FEIUVAALYWHHCQ-UHFFFAOYSA-N 1 0 315.156 3.827 20 5 DHBDRO COc1ccc(CN(C)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000051709353 1016823236 /nfs/dbraw/zinc/82/32/36/1016823236.db2.gz JSCZUTGDDDLENA-UHFFFAOYSA-N 1 0 322.311 3.514 20 5 DHBDRO CO[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000072924580 1016996032 /nfs/dbraw/zinc/99/60/32/1016996032.db2.gz DODIAXNHAHAULE-KRWDZBQOSA-N 1 0 318.373 3.615 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000847019723 1032178958 /nfs/dbraw/zinc/17/89/58/1032178958.db2.gz JMQBXVXBDFBGDM-IAGOWNOFSA-N 1 0 318.348 3.508 20 5 DHBDRO CC(C)[NH+]1CC(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001168314080 1032216133 /nfs/dbraw/zinc/21/61/33/1032216133.db2.gz KAYPNCMTWSDNGU-UHFFFAOYSA-N 1 0 311.385 3.766 20 5 DHBDRO Cc1ccnc(NC2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000080247939 1032219925 /nfs/dbraw/zinc/21/99/25/1032219925.db2.gz GJMXPCMDVPTOHC-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCCOCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000151828324 1017253496 /nfs/dbraw/zinc/25/34/96/1017253496.db2.gz RQGIQMLURZWYOH-NSHDSACASA-N 1 0 320.311 3.523 20 5 DHBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1COCc2ccccc21 ZINC001171293081 1032264295 /nfs/dbraw/zinc/26/42/95/1032264295.db2.gz DFFGPGMGXPOPEV-FQEVSTJZSA-N 1 0 311.449 3.966 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000282741027 1032471621 /nfs/dbraw/zinc/47/16/21/1032471621.db2.gz NDRRUCJEWDNZQC-DLBZAZTESA-N 1 0 318.417 3.985 20 5 DHBDRO C[C@H](C[N+](C)(C)C)O[C@H](C)c1ccc(Br)cc1 ZINC001224104864 1032524922 /nfs/dbraw/zinc/52/49/22/1032524922.db2.gz UPPYGMNWAFMENQ-VXGBXAGGSA-N 1 0 301.248 3.621 20 5 DHBDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000773066615 1032545452 /nfs/dbraw/zinc/54/54/52/1032545452.db2.gz WGEAIPIQEFFKLM-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000773117117 1032563406 /nfs/dbraw/zinc/56/34/06/1032563406.db2.gz KLVIXABDMNLACW-GRDNDAEWSA-N 1 0 313.401 3.985 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000773132828 1032568579 /nfs/dbraw/zinc/56/85/79/1032568579.db2.gz WPUAYWSJTKLDDS-WOSRLPQWSA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000479857103 1017103318 /nfs/dbraw/zinc/10/33/18/1017103318.db2.gz ARFKKQWXPGHDAA-HNNXBMFYSA-N 1 0 319.449 3.818 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1 ZINC000064792055 1012092108 /nfs/dbraw/zinc/09/21/08/1012092108.db2.gz DDMZGNJSWONPBR-UHFFFAOYSA-N 1 0 312.369 3.638 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCCC(F)(F)C1)CC2 ZINC000514080842 1012262667 /nfs/dbraw/zinc/26/26/67/1012262667.db2.gz YCOTULSVUOYAMI-LBPRGKRZSA-N 1 0 310.344 3.778 20 5 DHBDRO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000036935838 1032625255 /nfs/dbraw/zinc/62/52/55/1032625255.db2.gz XRYYXOMSIGCADX-GFCCVEGCSA-N 1 0 304.777 3.969 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000515184685 1012570809 /nfs/dbraw/zinc/57/08/09/1012570809.db2.gz IJPCXCGUVFJWTL-GDBMZVCRSA-N 1 0 318.417 3.713 20 5 DHBDRO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000515190867 1012575192 /nfs/dbraw/zinc/57/51/92/1012575192.db2.gz PEWMJFIKTBMAHR-CABCVRRESA-N 1 0 307.438 3.674 20 5 DHBDRO Cc1ccccc1OCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000515550912 1012658543 /nfs/dbraw/zinc/65/85/43/1012658543.db2.gz WWLYQSPNTTZMOO-UHFFFAOYSA-N 1 0 314.385 3.804 20 5 DHBDRO Cc1noc(C)c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000339645711 1012729219 /nfs/dbraw/zinc/72/92/19/1012729219.db2.gz JRCKHYFHQIHYQX-UHFFFAOYSA-N 1 0 317.389 3.653 20 5 DHBDRO COCc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000154461904 1012731083 /nfs/dbraw/zinc/73/10/83/1012731083.db2.gz PEAZRODJKSWYFQ-UHFFFAOYSA-N 1 0 318.373 3.745 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000516631722 1012805272 /nfs/dbraw/zinc/80/52/72/1012805272.db2.gz XLKYPWDIZWMCRI-XNJGSVPQSA-N 1 0 306.406 3.757 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CCO)C1CCCCC1 ZINC000517040208 1012895308 /nfs/dbraw/zinc/89/53/08/1012895308.db2.gz QEEOXNCEJZUCJI-IRXDYDNUSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)cc1Cl ZINC000897245985 1017198194 /nfs/dbraw/zinc/19/81/94/1017198194.db2.gz OSUPLTRSTOFXMK-CYBMUJFWSA-N 1 0 324.808 3.830 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000897246135 1017198578 /nfs/dbraw/zinc/19/85/78/1017198578.db2.gz PYLMUTDOLJTMCO-CQSZACIVSA-N 1 0 324.808 3.830 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1csc(C)n1 ZINC000347328389 1017388339 /nfs/dbraw/zinc/38/83/39/1017388339.db2.gz ZZRFLLTUZPVUIW-GHXNOFRVSA-N 1 0 317.414 3.895 20 5 DHBDRO CCc1nc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000173373682 1032698763 /nfs/dbraw/zinc/69/87/63/1032698763.db2.gz IFOPRDIRXDQUHX-LLVKDONJSA-N 1 0 305.403 3.507 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178654653 1017562010 /nfs/dbraw/zinc/56/20/10/1017562010.db2.gz NCSXSAIMBJXZEE-UKRRQHHQSA-N 1 0 312.369 3.812 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000166287171 1017578616 /nfs/dbraw/zinc/57/86/16/1017578616.db2.gz WBQOHFSAMUOIJR-JOQOYGCGSA-N 1 0 317.433 3.651 20 5 DHBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444652758 1017606393 /nfs/dbraw/zinc/60/63/93/1017606393.db2.gz KCDVPQGGMZGSOM-MLGOLLRUSA-N 1 0 316.405 3.872 20 5 DHBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444652725 1017606413 /nfs/dbraw/zinc/60/64/13/1017606413.db2.gz JYSWVYFZIHFVSJ-ZDUSSCGKSA-N 1 0 316.405 3.872 20 5 DHBDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444687860 1017615847 /nfs/dbraw/zinc/61/58/47/1017615847.db2.gz HKYVIMKRFUTPDL-CYBMUJFWSA-N 1 0 324.384 3.939 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1cccc(CO)c1)c1cccc([N+](=O)[O-])c1 ZINC000268907676 1017837041 /nfs/dbraw/zinc/83/70/41/1017837041.db2.gz SKLBSOADOUPWEV-GOSISDBHSA-N 1 0 314.385 3.718 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000268979559 1017913627 /nfs/dbraw/zinc/91/36/27/1017913627.db2.gz QESJRNSFDGRXHZ-HNNXBMFYSA-N 1 0 304.390 3.566 20 5 DHBDRO Cc1ccc(C[NH+]2CCC(OCCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000121609731 1017982011 /nfs/dbraw/zinc/98/20/11/1017982011.db2.gz FKYZTVKRAZCCQF-UHFFFAOYSA-N 1 0 320.433 3.930 20 5 DHBDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152159364 1017984251 /nfs/dbraw/zinc/98/42/51/1017984251.db2.gz QSHMEYZFBCSVSO-INIZCTEOSA-N 1 0 320.414 3.574 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000248826294 1018071424 /nfs/dbraw/zinc/07/14/24/1018071424.db2.gz LYTZUHYQMNVSCQ-RVSPLBMKSA-N 1 0 304.390 3.511 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC[C@H]3C3CC3)nc2c1 ZINC000446849977 1018265647 /nfs/dbraw/zinc/26/56/47/1018265647.db2.gz SYFMUHLAGOPOJH-KBPBESRZSA-N 1 0 314.389 3.530 20 5 DHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC2CCCCC2)n1 ZINC000447528916 1018404192 /nfs/dbraw/zinc/40/41/92/1018404192.db2.gz JWYFHAZJKVNPFP-JKSUJKDBSA-N 1 0 320.437 3.835 20 5 DHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC2CCCCC2)n1 ZINC000447528912 1018404874 /nfs/dbraw/zinc/40/48/74/1018404874.db2.gz JWYFHAZJKVNPFP-HOTGVXAUSA-N 1 0 320.437 3.835 20 5 DHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000174446290 1018428104 /nfs/dbraw/zinc/42/81/04/1018428104.db2.gz FRESGFQMLAUFOD-LBPRGKRZSA-N 1 0 320.389 3.520 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC000765128544 1018483061 /nfs/dbraw/zinc/48/30/61/1018483061.db2.gz VOFZVGJXARYGHE-LLVKDONJSA-N 1 0 305.765 3.802 20 5 DHBDRO Cc1cccc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1C ZINC001168758038 1018503579 /nfs/dbraw/zinc/50/35/79/1018503579.db2.gz NFRROOOGFRTKTO-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO COc1ccc(-c2ccc(C[N@H+]3[C@H](C)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000527238455 1018535767 /nfs/dbraw/zinc/53/57/67/1018535767.db2.gz DIWQGKXSTJJHHJ-TXEJJXNPSA-N 1 0 316.357 3.846 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCSC(F)(F)F ZINC000765239560 1018725301 /nfs/dbraw/zinc/72/53/01/1018725301.db2.gz OMIUOCFYCRSSAY-SECBINFHSA-N 1 0 308.325 3.807 20 5 DHBDRO C[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000765440200 1018787897 /nfs/dbraw/zinc/78/78/97/1018787897.db2.gz RYLAQSDJRZMZHQ-KBPBESRZSA-N 1 0 300.358 3.713 20 5 DHBDRO COc1ccc2c(c1)[nH+]ccc2N(C)Cc1ccccc1[N+](=O)[O-] ZINC000765467403 1018799374 /nfs/dbraw/zinc/79/93/74/1018799374.db2.gz WPYOOGXRMHTWAL-UHFFFAOYSA-N 1 0 323.352 3.788 20 5 DHBDRO Cc1cc(N2CCC(C[NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000536187744 1018827136 /nfs/dbraw/zinc/82/71/36/1018827136.db2.gz BZOFVBKGNUAFOW-UHFFFAOYSA-N 1 0 317.433 3.606 20 5 DHBDRO CC1(C)C[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000922951337 1018937656 /nfs/dbraw/zinc/93/76/56/1018937656.db2.gz NEFCSKPRBZWCHR-LOWQCSRCSA-N 1 0 318.417 3.791 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000922970077 1018953446 /nfs/dbraw/zinc/95/34/46/1018953446.db2.gz ZQBGELDYLFLQSB-QQNRWZHASA-N 1 0 316.401 3.689 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(CCCC2)O1 ZINC000584104264 1018956126 /nfs/dbraw/zinc/95/61/26/1018956126.db2.gz FVVPJEFIFLMPTK-MRXNPFEDSA-N 1 0 318.417 3.561 20 5 DHBDRO CC(C)(C)OCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611211312 1019410810 /nfs/dbraw/zinc/41/08/10/1019410810.db2.gz CMAQBGONEHUYAT-UHFFFAOYSA-N 1 0 306.406 3.764 20 5 DHBDRO CC(C)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611254175 1019422213 /nfs/dbraw/zinc/42/22/13/1019422213.db2.gz DGJPOETZJPBRCP-UHFFFAOYSA-N 1 0 302.321 3.674 20 5 DHBDRO CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000611256775 1019424347 /nfs/dbraw/zinc/42/43/47/1019424347.db2.gz YIJINCIRTFSABV-HNNXBMFYSA-N 1 0 306.406 3.577 20 5 DHBDRO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000611266881 1019427506 /nfs/dbraw/zinc/42/75/06/1019427506.db2.gz HPCCAQAAYMTLED-ALCCZGGFSA-N 1 0 302.296 3.882 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336813 1019449219 /nfs/dbraw/zinc/44/92/19/1019449219.db2.gz MFECZPGXHCIIGK-CZUORRHYSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc(C[NH2+]CCCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000611346440 1019452756 /nfs/dbraw/zinc/45/27/56/1019452756.db2.gz FCZWJAFZICCPAO-UHFFFAOYSA-N 1 0 322.405 3.505 20 5 DHBDRO CCCC[N@H+](C)CC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000552940711 1019610059 /nfs/dbraw/zinc/61/00/59/1019610059.db2.gz HDINYUUGGXUPIK-UHFFFAOYSA-N 1 0 323.412 3.682 20 5 DHBDRO CCCCC[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750092031 1019718174 /nfs/dbraw/zinc/71/81/74/1019718174.db2.gz LYUZTLYUODIDIQ-WBVHZDCISA-N 1 0 306.406 3.673 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000765768406 1019813087 /nfs/dbraw/zinc/81/30/87/1019813087.db2.gz OIVLJFWLIFUIRC-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO C[NH2+][C@H](CC(C)(C)C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843238301 1019966428 /nfs/dbraw/zinc/96/64/28/1019966428.db2.gz OTVAMATZDLCIAR-GFCCVEGCSA-N 1 0 318.377 3.650 20 5 DHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168601650 1020044383 /nfs/dbraw/zinc/04/43/83/1020044383.db2.gz SKYSBFBGELMJBR-GJZGRUSLSA-N 1 0 305.422 3.805 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000154218049 1020053879 /nfs/dbraw/zinc/05/38/79/1020053879.db2.gz LVFCLQVMLRXEJQ-AAEUAGOBSA-N 1 0 310.419 3.540 20 5 DHBDRO C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000553184238 1020217927 /nfs/dbraw/zinc/21/79/27/1020217927.db2.gz ADWKBELWAFWDBU-CHWSQXEVSA-N 1 0 321.396 3.799 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000330711155 1020239993 /nfs/dbraw/zinc/23/99/93/1020239993.db2.gz PSEHKBWKZBGJJS-HOCLYGCPSA-N 1 0 318.417 3.713 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)cs1 ZINC000922774865 1020256536 /nfs/dbraw/zinc/25/65/36/1020256536.db2.gz DSQZXNASQKMGQP-TZMCWYRMSA-N 1 0 324.352 3.795 20 5 DHBDRO CC[C@H](C)[NH2+][C@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000553264954 1020264896 /nfs/dbraw/zinc/26/48/96/1020264896.db2.gz WABRSGAKGVXMAC-GXTWGEPZSA-N 1 0 303.362 3.729 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000922838564 1020302909 /nfs/dbraw/zinc/30/29/09/1020302909.db2.gz TXMOTFOUAMQOBN-KOLCDFICSA-N 1 0 300.811 3.622 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000281038454 1020322293 /nfs/dbraw/zinc/32/22/93/1020322293.db2.gz PWEAWKPTHJLBPH-KSZLIROESA-N 1 0 318.417 3.500 20 5 DHBDRO CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000273125736 1020330526 /nfs/dbraw/zinc/33/05/26/1020330526.db2.gz SDZMBXODCAUMNJ-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)C(C)(C)C ZINC000766006476 1020340512 /nfs/dbraw/zinc/34/05/12/1020340512.db2.gz LANOPHMMPXBOEU-QWHCGFSZSA-N 1 0 321.421 3.584 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C2CCOCC2)CC1 ZINC000153566840 1020343153 /nfs/dbraw/zinc/34/31/53/1020343153.db2.gz OOQDECNRBCGXDF-CQSZACIVSA-N 1 0 318.417 3.794 20 5 DHBDRO Cc1ncsc1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000172528807 1020404927 /nfs/dbraw/zinc/40/49/27/1020404927.db2.gz YDPQYZDCLMSAHK-UHFFFAOYSA-N 1 0 319.430 3.813 20 5 DHBDRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000765846799 1020490461 /nfs/dbraw/zinc/49/04/61/1020490461.db2.gz YHGOGFQRNLLJHI-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848158 1020492109 /nfs/dbraw/zinc/49/21/09/1020492109.db2.gz GNGHQISSCCJWJM-IKGGRYGDSA-N 1 0 320.433 3.823 20 5 DHBDRO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C ZINC000123100198 1020510111 /nfs/dbraw/zinc/51/01/11/1020510111.db2.gz PEJYWBCYMGZTIS-STQMWFEESA-N 1 0 315.373 3.728 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000153770479 1020581472 /nfs/dbraw/zinc/58/14/72/1020581472.db2.gz FCJIZHJQKLZKMY-CRAIPNDOSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001218027963 1020831261 /nfs/dbraw/zinc/83/12/61/1020831261.db2.gz ROKSPQOPBATUPK-QPUJVOFHSA-N 1 0 319.188 3.669 20 5 DHBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001218030730 1020838802 /nfs/dbraw/zinc/83/88/02/1020838802.db2.gz UPJLKGUGYXXMAY-WPRPVWTQSA-N 1 0 319.188 3.669 20 5 DHBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738052042 1020859132 /nfs/dbraw/zinc/85/91/32/1020859132.db2.gz BWTUXHQVBYZTPL-CJNGLKHVSA-N 1 0 316.405 3.803 20 5 DHBDRO Cc1cccc(F)c1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000742381168 1021108686 /nfs/dbraw/zinc/10/86/86/1021108686.db2.gz QMGUOEDGTZRWQM-VMPITWQZSA-N 1 0 300.333 3.845 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000776273851 1021215587 /nfs/dbraw/zinc/21/55/87/1021215587.db2.gz AZCGGTHKQWXVTC-CVEARBPZSA-N 1 0 318.398 3.527 20 5 DHBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279134 1021231577 /nfs/dbraw/zinc/23/15/77/1021231577.db2.gz VPFUCQMFDKULDI-IAOVAPTHSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000537973036 1032969816 /nfs/dbraw/zinc/96/98/16/1032969816.db2.gz PFDYCQUCNIUMJB-CQSZACIVSA-N 1 0 313.401 3.820 20 5 DHBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H]3C3CCCC3)c2c1 ZINC000917619759 1021323127 /nfs/dbraw/zinc/32/31/27/1021323127.db2.gz MRGIEIVMPOYMTG-MRXNPFEDSA-N 1 0 314.389 3.557 20 5 DHBDRO CC(C)CC[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154470020 1021334668 /nfs/dbraw/zinc/33/46/68/1021334668.db2.gz CPQREOUOUPMZFX-WBVHZDCISA-N 1 0 306.406 3.529 20 5 DHBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000618679583 1021483606 /nfs/dbraw/zinc/48/36/06/1021483606.db2.gz VOFOSCJTMOMLFG-IUODEOHRSA-N 1 0 303.387 3.514 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3C=CCC3)cs2)c1 ZINC000850358319 1021486082 /nfs/dbraw/zinc/48/60/82/1021486082.db2.gz AZFUJINKDHVWCF-LBPRGKRZSA-N 1 0 301.371 3.527 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000556099818 1021524996 /nfs/dbraw/zinc/52/49/96/1021524996.db2.gz ZNOATASAZPTJQW-YOEHRIQHSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2C(C)C)cc1[N+](=O)[O-] ZINC000556124192 1021535987 /nfs/dbraw/zinc/53/59/87/1021535987.db2.gz YKEQQYMVVFWZIQ-RDJZCZTQSA-N 1 0 319.449 3.817 20 5 DHBDRO CC(C)CC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000850565448 1021609100 /nfs/dbraw/zinc/60/91/00/1021609100.db2.gz BRDWMEPOEQBMES-UHFFFAOYSA-N 1 0 317.433 3.732 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000565532055 1021648240 /nfs/dbraw/zinc/64/82/40/1021648240.db2.gz NVJJANZSQUHADW-OWCLPIDISA-N 1 0 317.433 3.745 20 5 DHBDRO O=[N+]([O-])c1ccccc1CCNc1cc[nH+]c2c(O)cccc12 ZINC000619482827 1021766273 /nfs/dbraw/zinc/76/62/73/1021766273.db2.gz FXTVTLQNUHKKJF-UHFFFAOYSA-N 1 0 309.325 3.503 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccccc1O ZINC000154959777 1021776382 /nfs/dbraw/zinc/77/63/82/1021776382.db2.gz DZBVYWBXGUTMGU-ZDUSSCGKSA-N 1 0 300.358 3.502 20 5 DHBDRO C[C@H](Cc1ccccn1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925464529 1021780102 /nfs/dbraw/zinc/78/01/02/1021780102.db2.gz FBAZIVYOHVQIEV-OAHLLOKOSA-N 1 0 313.401 3.533 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](CC3CC3)C3CCC3)nc2c1 ZINC000619516995 1021783305 /nfs/dbraw/zinc/78/33/05/1021783305.db2.gz SRRCHUCQRBFVEP-UHFFFAOYSA-N 1 0 301.346 3.501 20 5 DHBDRO CCCC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CCCCC1 ZINC000746044198 1021830716 /nfs/dbraw/zinc/83/07/16/1021830716.db2.gz KBGOJOCGYAJLLW-UHFFFAOYSA-N 1 0 308.426 3.800 20 5 DHBDRO C[C@H]([NH2+][C@@H]1C[C@@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000746048322 1021833370 /nfs/dbraw/zinc/83/33/70/1021833370.db2.gz FJJQYJWZOKZOBE-YMRXKLBXSA-N 1 0 300.333 3.941 20 5 DHBDRO CC[N@H+](CCc1cccs1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746168920 1021887133 /nfs/dbraw/zinc/88/71/33/1021887133.db2.gz ZSWGRPOIWWCAKW-UHFFFAOYSA-N 1 0 308.378 3.860 20 5 DHBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000556924822 1021949849 /nfs/dbraw/zinc/94/98/49/1021949849.db2.gz MWXHTEBGDYHGKA-VRKREXBASA-N 1 0 320.458 3.647 20 5 DHBDRO Cc1ccncc1CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290429053 1022021146 /nfs/dbraw/zinc/02/11/46/1022021146.db2.gz RLZHEUDQCORGIJ-HNNXBMFYSA-N 1 0 313.401 3.890 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC1(Cl)Cl ZINC000920206117 1022077737 /nfs/dbraw/zinc/07/77/37/1022077737.db2.gz BTJVOSBQDKWHEJ-LBPRGKRZSA-N 1 0 317.216 3.999 20 5 DHBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580129 1022099098 /nfs/dbraw/zinc/09/90/98/1022099098.db2.gz RKSMMOGEFRYPMQ-CVEARBPZSA-N 1 0 306.406 3.529 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000776581833 1022099963 /nfs/dbraw/zinc/09/99/63/1022099963.db2.gz MXQRWIYOSGPMTJ-KRWDZBQOSA-N 1 0 318.417 3.675 20 5 DHBDRO C[N@H+](CCC1CCCCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581895 1022100458 /nfs/dbraw/zinc/10/04/58/1022100458.db2.gz OKVJRQNDYYIEOH-KRWDZBQOSA-N 1 0 306.406 3.530 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000776581643 1022100745 /nfs/dbraw/zinc/10/07/45/1022100745.db2.gz FSUXUVVQWQLHBY-KRWDZBQOSA-N 1 0 318.417 3.675 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000852532168 1022134732 /nfs/dbraw/zinc/13/47/32/1022134732.db2.gz CSBZMLZVFKFMJT-NSHDSACASA-N 1 0 300.761 3.820 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CCC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000852716835 1022168412 /nfs/dbraw/zinc/16/84/12/1022168412.db2.gz SNTRPAJZOZANIZ-UHFFFAOYSA-N 1 0 319.361 3.515 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)C1 ZINC001168980308 1022197763 /nfs/dbraw/zinc/19/77/63/1022197763.db2.gz CSFHZFJRJMHUHD-OAUYIBNBSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)C1 ZINC001168984758 1022198883 /nfs/dbraw/zinc/19/88/83/1022198883.db2.gz AEWSXAAJMLVVHW-ODFNQHECSA-N 1 0 314.429 3.604 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(-c3cccs3)c2)C1 ZINC001168985271 1022199110 /nfs/dbraw/zinc/19/91/10/1022199110.db2.gz SRCLNWRDQCEXIO-GDBMZVCRSA-N 1 0 316.426 3.950 20 5 DHBDRO C[C@]12C[C@@H]3C[C@]([NH2+][C@H]4CC[C@@H](C[N+](=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC001168984814 1022199725 /nfs/dbraw/zinc/19/97/25/1022199725.db2.gz AMCKPEBKVULKOW-GVLSGGHMSA-N 1 0 306.450 3.770 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2F)C2CCC2)C1 ZINC001168984686 1022199871 /nfs/dbraw/zinc/19/98/71/1022199871.db2.gz QAFULNKYJWTOMR-HACGYAERSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC001168958322 1022201459 /nfs/dbraw/zinc/20/14/59/1022201459.db2.gz MRYSBMVCTYWCDB-QAPCUYQASA-N 1 0 310.397 3.811 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC001168958764 1022202078 /nfs/dbraw/zinc/20/20/78/1022202078.db2.gz PGWWUXOKDDXLPS-VHSXEESVSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC001168966964 1022202836 /nfs/dbraw/zinc/20/28/36/1022202836.db2.gz MLKFRRLDDRDQDN-SKDRFNHKSA-N 1 0 303.189 3.528 20 5 DHBDRO CCCC[C@H](CC)COCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970889 1022204839 /nfs/dbraw/zinc/20/48/39/1022204839.db2.gz JDMFLXNGHBRANF-ULQDDVLXSA-N 1 0 314.470 3.645 20 5 DHBDRO Cc1ccccc1CC(C)(C)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169000587 1022209288 /nfs/dbraw/zinc/20/92/88/1022209288.db2.gz XTVQXLZQWKNHSZ-DOTOQJQBSA-N 1 0 304.434 3.599 20 5 DHBDRO C[N@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005940 1022213066 /nfs/dbraw/zinc/21/30/66/1022213066.db2.gz DKNYITMXFMWXRM-GWCFXTLKSA-N 1 0 317.216 3.871 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOC2CCCCC2)C2CC2)c1 ZINC001167734875 1022215907 /nfs/dbraw/zinc/21/59/07/1022215907.db2.gz QCBJPWMCCKCMHP-UHFFFAOYSA-N 1 0 318.417 3.909 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2ccccc2F)C1 ZINC001169030157 1022220127 /nfs/dbraw/zinc/22/01/27/1022220127.db2.gz XAZPJCZDPWPBBP-CKEIUWERSA-N 1 0 306.381 3.798 20 5 DHBDRO C[C@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCc2ccc(Cl)cc21 ZINC001169038873 1022222802 /nfs/dbraw/zinc/22/28/02/1022222802.db2.gz LBVKWXQNSWXWCB-ZENOOKHLSA-N 1 0 322.836 3.747 20 5 DHBDRO COc1cccc([C@@H]2CCCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169036526 1022223100 /nfs/dbraw/zinc/22/31/00/1022223100.db2.gz PCJZZPGYDFJHLL-LESCRADOSA-N 1 0 318.417 3.668 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C2CC2)c1 ZINC001167735352 1022229492 /nfs/dbraw/zinc/22/94/92/1022229492.db2.gz ZUEZOMHFZJCUDS-MSOLQXFVSA-N 1 0 316.401 3.517 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001169050177 1022231065 /nfs/dbraw/zinc/23/10/65/1022231065.db2.gz ZDQDLMOLRKYMBW-DETPVDSQSA-N 1 0 310.344 3.547 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000195548081 1022272809 /nfs/dbraw/zinc/27/28/09/1022272809.db2.gz BRZKGXFVEHGKNS-GOSISDBHSA-N 1 0 314.385 3.887 20 5 DHBDRO CCN(Cc1cccc([N+](=O)[O-])c1Br)C(C)C ZINC000233482758 1022348273 /nfs/dbraw/zinc/34/82/73/1022348273.db2.gz OROATTVQRQUODS-UHFFFAOYSA-N 1 0 301.184 3.588 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000122956199 1022363941 /nfs/dbraw/zinc/36/39/41/1022363941.db2.gz BBLPUZBFXWETJY-UONOGXRCSA-N 1 0 314.385 3.891 20 5 DHBDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000610137687 1022421531 /nfs/dbraw/zinc/42/15/31/1022421531.db2.gz ZIUPAOKKKMOESU-SFHVURJKSA-N 1 0 322.449 3.995 20 5 DHBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000610133446 1022424381 /nfs/dbraw/zinc/42/43/81/1022424381.db2.gz PBDRAJSKEBUNMU-ZACQAIPSSA-N 1 0 318.417 3.620 20 5 DHBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001169553367 1022447488 /nfs/dbraw/zinc/44/74/88/1022447488.db2.gz CNWDZKXQXNFYDY-YOEHRIQHSA-N 1 0 306.406 3.922 20 5 DHBDRO CC(=O)N1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000112119150 1022448233 /nfs/dbraw/zinc/44/82/33/1022448233.db2.gz KYZMOBWQEXGLGB-UHFFFAOYSA-N 1 0 318.420 3.657 20 5 DHBDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3csc([N+](=O)[O-])c3)c21 ZINC000237743339 1022519785 /nfs/dbraw/zinc/51/97/85/1022519785.db2.gz UEORERLTBCQNOE-UHFFFAOYSA-N 1 0 315.398 3.778 20 5 DHBDRO COCCC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417306734 1022668592 /nfs/dbraw/zinc/66/85/92/1022668592.db2.gz DUCFAJVTJQRQDU-KRWDZBQOSA-N 1 0 318.417 3.769 20 5 DHBDRO C[C@@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417318399 1022674059 /nfs/dbraw/zinc/67/40/59/1022674059.db2.gz YTCQKJXDBAMATR-SJORKVTESA-N 1 0 304.390 3.521 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCO1)CCCC2 ZINC000417340491 1022685981 /nfs/dbraw/zinc/68/59/81/1022685981.db2.gz MLOYJIZWGONDKR-NVXWUHKLSA-N 1 0 304.390 3.521 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H]2COCc3ccccc32)cccc1[N+](=O)[O-] ZINC000417357170 1022702398 /nfs/dbraw/zinc/70/23/98/1022702398.db2.gz GGZLBHCEILXJSE-DYVFJYSZSA-N 1 0 312.369 3.825 20 5 DHBDRO CC[N+](C)(C)Cc1ccccc1NC1(C2CCOCC2)CC1 ZINC001167743710 1022743409 /nfs/dbraw/zinc/74/34/09/1022743409.db2.gz MGEPYSHWPBVLRU-UHFFFAOYSA-N 1 0 303.470 3.654 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000768101996 1022885550 /nfs/dbraw/zinc/88/55/50/1022885550.db2.gz LNJPWXYAFLRMSH-IACUBPJLSA-N 1 0 324.446 3.928 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857061592 1022939607 /nfs/dbraw/zinc/93/96/07/1022939607.db2.gz BNVDAILAXHSEDN-SKDRFNHKSA-N 1 0 315.200 3.756 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857061586 1022939702 /nfs/dbraw/zinc/93/97/02/1022939702.db2.gz BNVDAILAXHSEDN-BXKDBHETSA-N 1 0 315.200 3.756 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857061590 1022941021 /nfs/dbraw/zinc/94/10/21/1022941021.db2.gz BNVDAILAXHSEDN-JOYOIKCWSA-N 1 0 315.200 3.756 20 5 DHBDRO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000092737666 1023073732 /nfs/dbraw/zinc/07/37/32/1023073732.db2.gz HPCCAQAAYMTLED-FNORWQNLSA-N 1 0 302.296 3.882 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(OC(C)C)CC1 ZINC000876630586 1033109021 /nfs/dbraw/zinc/10/90/21/1033109021.db2.gz FBTYDSQJCGABOI-UHFFFAOYSA-N 1 0 306.406 3.601 20 5 DHBDRO C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccccc1[N+](=O)[O-] ZINC000925690080 1023163594 /nfs/dbraw/zinc/16/35/94/1023163594.db2.gz DUDIAKUDPRWFJK-SFYCDEOASA-N 1 0 304.390 3.593 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000770097436 1023274326 /nfs/dbraw/zinc/27/43/26/1023274326.db2.gz TXFBDFAMJLUHDS-CYBMUJFWSA-N 1 0 323.824 3.621 20 5 DHBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000785605388 1023593864 /nfs/dbraw/zinc/59/38/64/1023593864.db2.gz FXMYAVLDWPBUGR-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@@H]1C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000093503342 1023761269 /nfs/dbraw/zinc/76/12/69/1023761269.db2.gz BXYQVDCFUNIKSB-VXGBXAGGSA-N 1 0 317.414 3.806 20 5 DHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000787308493 1023785312 /nfs/dbraw/zinc/78/53/12/1023785312.db2.gz SEDSLYPLNJMGHG-UKRRQHHQSA-N 1 0 312.410 3.888 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1c(C)noc1C ZINC000787405479 1023793204 /nfs/dbraw/zinc/79/32/04/1023793204.db2.gz CHGCTOQKYDALQR-XYOKQWHBSA-N 1 0 315.373 3.735 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500240 1023895323 /nfs/dbraw/zinc/89/53/23/1023895323.db2.gz ZOUQMAFVWFMLOV-JTQLQIEISA-N 1 0 305.765 3.681 20 5 DHBDRO C[C@@H]([NH2+]CCCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788509735 1023898180 /nfs/dbraw/zinc/89/81/80/1023898180.db2.gz ZHKSDHASCFIDJK-CQSZACIVSA-N 1 0 313.401 3.851 20 5 DHBDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788482753 1023900169 /nfs/dbraw/zinc/90/01/69/1023900169.db2.gz NKOPNOXAINIQMA-CYBMUJFWSA-N 1 0 312.410 3.842 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC3(CCCCC3)C2)cc1F ZINC000788483953 1023900529 /nfs/dbraw/zinc/90/05/29/1023900529.db2.gz ZYWXCDCKEDFORA-UHFFFAOYSA-N 1 0 324.421 3.986 20 5 DHBDRO CC(C)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000788534632 1023908065 /nfs/dbraw/zinc/90/80/65/1023908065.db2.gz HMGTUTMKFZWOFC-CVEARBPZSA-N 1 0 320.414 3.504 20 5 DHBDRO Cc1cc(C)c(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000788571168 1023909113 /nfs/dbraw/zinc/90/91/13/1023909113.db2.gz JTAWXJDBRHSZFW-CQSZACIVSA-N 1 0 313.401 3.953 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589374 1023909936 /nfs/dbraw/zinc/90/99/36/1023909936.db2.gz BDYQMVVJSNHGRR-SWLSCSKDSA-N 1 0 311.385 3.558 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788652229 1023914378 /nfs/dbraw/zinc/91/43/78/1023914378.db2.gz OKZDINXXWYEPJJ-LLVKDONJSA-N 1 0 311.341 3.774 20 5 DHBDRO C[C@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788753334 1023929016 /nfs/dbraw/zinc/92/90/16/1023929016.db2.gz IYFZUJWGLRJDJL-ZDUSSCGKSA-N 1 0 311.385 3.603 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000053814843 1023929622 /nfs/dbraw/zinc/92/96/22/1023929622.db2.gz HUOXOQKTQUUOLQ-UHFFFAOYSA-N 1 0 310.353 3.590 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cccc1[N+](=O)[O-] ZINC000788778659 1023937690 /nfs/dbraw/zinc/93/76/90/1023937690.db2.gz UAHNTLRAHCBBEN-CYBMUJFWSA-N 1 0 317.776 3.729 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788822020 1023940567 /nfs/dbraw/zinc/94/05/67/1023940567.db2.gz HXGGHRZTSKQJTL-QWRGUYRKSA-N 1 0 313.348 3.653 20 5 DHBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(C)cc1 ZINC000876891475 1033176064 /nfs/dbraw/zinc/17/60/64/1033176064.db2.gz ZAGAHKBWLKLBOU-DQPZFDDXSA-N 1 0 314.389 3.544 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000051404503 1023996562 /nfs/dbraw/zinc/99/65/62/1023996562.db2.gz CFIBFJHOZONYPG-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO CCCCC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876904911 1033178932 /nfs/dbraw/zinc/17/89/32/1033178932.db2.gz ACPKSYYGTAHIQI-CQSZACIVSA-N 1 0 320.437 3.517 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2sccc2C)cc1[N+](=O)[O-] ZINC000268810474 1024166608 /nfs/dbraw/zinc/16/66/08/1024166608.db2.gz IQOSXNFHYGVPKH-LLVKDONJSA-N 1 0 306.387 3.824 20 5 DHBDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000531737194 1024291341 /nfs/dbraw/zinc/29/13/41/1024291341.db2.gz LQYOELUYSBNRFN-PBHICJAKSA-N 1 0 314.385 3.503 20 5 DHBDRO CCC[C@H]([NH2+]CCc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000883248971 1024318810 /nfs/dbraw/zinc/31/88/10/1024318810.db2.gz NTVMZBQVVRKSEB-HNNXBMFYSA-N 1 0 305.403 3.725 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC000883257380 1024325832 /nfs/dbraw/zinc/32/58/32/1024325832.db2.gz ZYFUYBHZBCSPGE-SNVBAGLBSA-N 1 0 314.332 3.689 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(C)CC(F)(F)C1 ZINC000883257372 1024326584 /nfs/dbraw/zinc/32/65/84/1024326584.db2.gz ZQIRUMMEWNJDDZ-JTQLQIEISA-N 1 0 316.323 3.690 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125851848 1024331794 /nfs/dbraw/zinc/33/17/94/1024331794.db2.gz LXTLLSJXQJDQMC-JKSUJKDBSA-N 1 0 319.449 3.674 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000453228674 1024414041 /nfs/dbraw/zinc/41/40/41/1024414041.db2.gz BBMCQRHJULFUDZ-BBRMVZONSA-N 1 0 312.369 3.639 20 5 DHBDRO CO[C@@H]([C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000453338967 1024470760 /nfs/dbraw/zinc/47/07/60/1024470760.db2.gz BGVBAJVRTZCKQJ-JECHBYEQSA-N 1 0 318.417 3.720 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000271454792 1024511486 /nfs/dbraw/zinc/51/14/86/1024511486.db2.gz GQTOFQNZFVNOJO-MGPQQGTHSA-N 1 0 324.446 3.623 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)CC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000453596788 1024537303 /nfs/dbraw/zinc/53/73/03/1024537303.db2.gz HAHHGDJUMCVWCF-NSHDSACASA-N 1 0 310.394 3.526 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N1CCCC[C@@H]1C ZINC000532192717 1024572578 /nfs/dbraw/zinc/57/25/78/1024572578.db2.gz DWFDZRPKVVNCGZ-JYJNAYRXSA-N 1 0 319.449 3.817 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CC(C)C)N(C)C ZINC000532202582 1024575040 /nfs/dbraw/zinc/57/50/40/1024575040.db2.gz XHFZFRTXRXKGFH-HOCLYGCPSA-N 1 0 307.438 3.530 20 5 DHBDRO C[C@H]([NH2+]CCOC1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000532225670 1024583263 /nfs/dbraw/zinc/58/32/63/1024583263.db2.gz UXWYWVPUWPYOFS-AWEZNQCLSA-N 1 0 306.406 3.985 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H]2CC2(Cl)Cl)cc1 ZINC000877069445 1033226265 /nfs/dbraw/zinc/22/62/65/1033226265.db2.gz KEVMGRKUIDXXKU-GFCCVEGCSA-N 1 0 317.216 3.701 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCSCC2)o1 ZINC000349074359 1024669674 /nfs/dbraw/zinc/66/96/74/1024669674.db2.gz MKKCPZIEXYYXFP-UHFFFAOYSA-N 1 0 318.398 3.794 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000349344243 1024704794 /nfs/dbraw/zinc/70/47/94/1024704794.db2.gz RFDWCQFKINPMAE-HOTGVXAUSA-N 1 0 320.414 3.821 20 5 DHBDRO CCC(CC)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)SC ZINC000877073700 1033229949 /nfs/dbraw/zinc/22/99/49/1033229949.db2.gz QRWNXULACQCWSM-UHFFFAOYSA-N 1 0 323.418 3.747 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001170296132 1024728480 /nfs/dbraw/zinc/72/84/80/1024728480.db2.gz ZWQBYJQDZNUFIQ-CQSZACIVSA-N 1 0 314.385 3.633 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC001170305293 1024731964 /nfs/dbraw/zinc/73/19/64/1024731964.db2.gz ITHIZWYXBKBSLX-UONOGXRCSA-N 1 0 308.422 3.949 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170325991 1024744568 /nfs/dbraw/zinc/74/45/68/1024744568.db2.gz ZUSPOHBXRXZSFN-KGLIPLIRSA-N 1 0 320.433 3.950 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2C[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170329757 1024745667 /nfs/dbraw/zinc/74/56/67/1024745667.db2.gz TWEPMFWFLWKKCW-BPUTZDHNSA-N 1 0 318.417 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC001170355327 1024751640 /nfs/dbraw/zinc/75/16/40/1024751640.db2.gz ZVAILUVBFUIHQE-AWEZNQCLSA-N 1 0 318.417 3.801 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@H+](CC2CC2)C(C)C)c([N+](=O)[O-])c1 ZINC001170348485 1024756519 /nfs/dbraw/zinc/75/65/19/1024756519.db2.gz XOZBNPLRBJSYAY-CYBMUJFWSA-N 1 0 306.406 3.655 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001170348017 1024757060 /nfs/dbraw/zinc/75/70/60/1024757060.db2.gz URYCOZBPIMDGBO-ZQIUZPCESA-N 1 0 318.417 3.799 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2CCCCCCC2)c([N+](=O)[O-])c1 ZINC001170348188 1024757716 /nfs/dbraw/zinc/75/77/16/1024757716.db2.gz VPUJEYOAHAUAHQ-AWEZNQCLSA-N 1 0 306.406 3.801 20 5 DHBDRO CCCC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000728895905 1024781506 /nfs/dbraw/zinc/78/15/06/1024781506.db2.gz DIZGXBBMJMUIGZ-UHFFFAOYSA-N 1 0 314.389 3.680 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000897418766 1024789654 /nfs/dbraw/zinc/78/96/54/1024789654.db2.gz WDCBPCRARMWPIR-SJKOYZFVSA-N 1 0 324.380 3.868 20 5 DHBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000792868213 1024811189 /nfs/dbraw/zinc/81/11/89/1024811189.db2.gz SDTICLKYVXYNEK-VXGBXAGGSA-N 1 0 321.377 3.902 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000150879167 1024864413 /nfs/dbraw/zinc/86/44/13/1024864413.db2.gz AJHFXDSADIBDML-CYBMUJFWSA-N 1 0 323.824 3.703 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCC2 ZINC000539093260 1033271743 /nfs/dbraw/zinc/27/17/43/1033271743.db2.gz KDVAYPGAMCGKIH-NSHDSACASA-N 1 0 302.399 3.996 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000927016866 1033271926 /nfs/dbraw/zinc/27/19/26/1033271926.db2.gz LRAKTARQSROVJO-CZUORRHYSA-N 1 0 304.390 3.737 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1NC1CCC([NH+]2CCCCC2)CC1 ZINC000804538004 1025352431 /nfs/dbraw/zinc/35/24/31/1025352431.db2.gz JCTBCEYLIQPSEH-UHFFFAOYSA-N 1 0 321.396 3.943 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccncc1Cl)c1ccccc1[N+](=O)[O-] ZINC000897460592 1025362477 /nfs/dbraw/zinc/36/24/77/1025362477.db2.gz IJSLQSFQFDNSTQ-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO COCc1csc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897461155 1025362506 /nfs/dbraw/zinc/36/25/06/1025362506.db2.gz MCGVFHFMRWSAAL-LBPRGKRZSA-N 1 0 320.414 3.696 20 5 DHBDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cnc1Cl ZINC000897464246 1025362604 /nfs/dbraw/zinc/36/26/04/1025362604.db2.gz FWKKBTMAKLQOBM-GFCCVEGCSA-N 1 0 319.792 3.845 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccnc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000897463765 1025366794 /nfs/dbraw/zinc/36/67/94/1025366794.db2.gz INYJLJOQRKTYSF-SNVBAGLBSA-N 1 0 323.755 3.676 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000886005730 1025434190 /nfs/dbraw/zinc/43/41/90/1025434190.db2.gz IUGVPBINLCGHCK-ZDUSSCGKSA-N 1 0 317.776 3.633 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000136818465 1025487987 /nfs/dbraw/zinc/48/79/87/1025487987.db2.gz DFJAOICZCSCQDL-MSOLQXFVSA-N 1 0 314.385 3.678 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000886109313 1025507820 /nfs/dbraw/zinc/50/78/20/1025507820.db2.gz HNKQEBSNFOSXTD-BBRMVZONSA-N 1 0 304.390 3.595 20 5 DHBDRO CC[C@](C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000886303843 1025585244 /nfs/dbraw/zinc/58/52/44/1025585244.db2.gz HNCPXLJGBVFVMB-INIZCTEOSA-N 1 0 303.337 3.544 20 5 DHBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000355156788 1025619599 /nfs/dbraw/zinc/61/95/99/1025619599.db2.gz DPLFDNMEIDNVHM-SJORKVTESA-N 1 0 318.417 3.683 20 5 DHBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000573550932 1025725941 /nfs/dbraw/zinc/72/59/41/1025725941.db2.gz JNZGRLPJQSCEQS-ISTRZQFTSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000138355155 1025744302 /nfs/dbraw/zinc/74/43/02/1025744302.db2.gz DBLARMYYRBFTQY-HNNXBMFYSA-N 1 0 317.433 3.606 20 5 DHBDRO C[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000886774106 1025892204 /nfs/dbraw/zinc/89/22/04/1025892204.db2.gz HRAPZLXHPUFKJG-WMLDXEAASA-N 1 0 318.417 3.985 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453317378 1025926131 /nfs/dbraw/zinc/92/61/31/1025926131.db2.gz LKXQOUIYRBHGSK-KBPBESRZSA-N 1 0 304.390 3.595 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CSCCc3ccccc32)cc1 ZINC000089513457 1026054367 /nfs/dbraw/zinc/05/43/67/1026054367.db2.gz HUPDVAONVWKEAQ-KRWDZBQOSA-N 1 0 314.410 3.715 20 5 DHBDRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000089513498 1026054666 /nfs/dbraw/zinc/05/46/66/1026054666.db2.gz GVSAIOYMIXZYAK-ZDUSSCGKSA-N 1 0 317.414 3.781 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883528 1026073781 /nfs/dbraw/zinc/07/37/81/1026073781.db2.gz PSXZGMONEDZKQM-GFCCVEGCSA-N 1 0 301.346 3.624 20 5 DHBDRO COc1cc(F)cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000090972073 1026091409 /nfs/dbraw/zinc/09/14/09/1026091409.db2.gz IVZUVGLUOZQDIQ-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO CC(C)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000052589169 1026303216 /nfs/dbraw/zinc/30/32/16/1026303216.db2.gz CTCXOFCCYXVJTQ-UHFFFAOYSA-N 1 0 318.377 3.511 20 5 DHBDRO C[C@H]([NH2+]CCCOC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000120596324 1026331285 /nfs/dbraw/zinc/33/12/85/1026331285.db2.gz FXTBTHYZPJAEIT-AWEZNQCLSA-N 1 0 306.406 3.985 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000894197700 1026346342 /nfs/dbraw/zinc/34/63/42/1026346342.db2.gz NHJKVYGEDAVWHR-VIFPVBQESA-N 1 0 304.724 3.773 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000513472608 1026518643 /nfs/dbraw/zinc/51/86/43/1026518643.db2.gz IBNFULHKRKNJBK-OAHLLOKOSA-N 1 0 300.333 3.723 20 5 DHBDRO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000513510022 1026527991 /nfs/dbraw/zinc/52/79/91/1026527991.db2.gz XRBOAEVSSLTYNM-LKUPDRCFSA-N 1 0 318.417 3.889 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C12CCCC2 ZINC000809560654 1026550289 /nfs/dbraw/zinc/55/02/89/1026550289.db2.gz OJBNBVLCQLYHMH-JKSUJKDBSA-N 1 0 322.380 3.561 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C(F)(F)F)CC2)cc1Cl ZINC000809706317 1026598891 /nfs/dbraw/zinc/59/88/91/1026598891.db2.gz UHQSJTFIHKGTEC-UHFFFAOYSA-N 1 0 308.687 3.680 20 5 DHBDRO CC[C@H]([NH2+]CCc1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000063132583 1026647995 /nfs/dbraw/zinc/64/79/95/1026647995.db2.gz PELATGBGQDCIEW-AWEZNQCLSA-N 1 0 305.403 3.643 20 5 DHBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987733 1026656677 /nfs/dbraw/zinc/65/66/77/1026656677.db2.gz KFDDYWPVMFZCKZ-OQPBUACISA-N 1 0 319.188 3.559 20 5 DHBDRO CCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000513708587 1026750986 /nfs/dbraw/zinc/75/09/86/1026750986.db2.gz UMEWIAFXIUGSME-UHFFFAOYSA-N 1 0 308.422 3.701 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC([NH2+]C2CCCC2)CC1 ZINC000366611550 1026817210 /nfs/dbraw/zinc/81/72/10/1026817210.db2.gz MVPGMTPCPJKQPL-UHFFFAOYSA-N 1 0 323.824 3.749 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420951116 1026889967 /nfs/dbraw/zinc/88/99/67/1026889967.db2.gz QMQQFMPHTOTEMM-LBPRGKRZSA-N 1 0 302.296 3.759 20 5 DHBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000421376329 1026970048 /nfs/dbraw/zinc/97/00/48/1026970048.db2.gz GTSPHRQKELNCNL-GJZGRUSLSA-N 1 0 306.406 3.765 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000811483561 1027008556 /nfs/dbraw/zinc/00/85/56/1027008556.db2.gz HNQMJAQZTQWKEO-ZDUSSCGKSA-N 1 0 319.188 3.560 20 5 DHBDRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000421853310 1027066282 /nfs/dbraw/zinc/06/62/82/1027066282.db2.gz IWUSPVDCXSFHDM-QGPMSJSTSA-N 1 0 318.417 3.910 20 5 DHBDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000421858419 1027070004 /nfs/dbraw/zinc/07/00/04/1027070004.db2.gz PSMZUVQNWGRQTH-RYUDHWBXSA-N 1 0 320.414 3.745 20 5 DHBDRO CCCCOC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000362456068 1027220952 /nfs/dbraw/zinc/22/09/52/1027220952.db2.gz UPUXMJWENKOFKJ-AWEZNQCLSA-N 1 0 306.406 3.937 20 5 DHBDRO CCCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001170684913 1027383955 /nfs/dbraw/zinc/38/39/55/1027383955.db2.gz YYZPPIPXWVWZRT-GDBMZVCRSA-N 1 0 322.453 3.781 20 5 DHBDRO COCC1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000295677366 1027385601 /nfs/dbraw/zinc/38/56/01/1027385601.db2.gz KQNCXXMVANTAQZ-HLIUYOAVSA-N 1 0 306.406 3.759 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCc4ccccc43)c2c1 ZINC000574722877 1027420459 /nfs/dbraw/zinc/42/04/59/1027420459.db2.gz VTTHNGMFEXQXNY-SFHVURJKSA-N 1 0 321.380 3.896 20 5 DHBDRO Cc1noc(C[N@H+]2CCC[C@@H]2[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000932274824 1027438925 /nfs/dbraw/zinc/43/89/25/1027438925.db2.gz KQUFMIWVWIPPCU-IUODEOHRSA-N 1 0 315.373 3.659 20 5 DHBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000932276675 1027440848 /nfs/dbraw/zinc/44/08/48/1027440848.db2.gz VLTFUPLVQLFSTL-PBHICJAKSA-N 1 0 311.385 3.758 20 5 DHBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850525 1027445945 /nfs/dbraw/zinc/44/59/45/1027445945.db2.gz UTBAIRUGXXAXPI-KSSFIOAISA-N 1 0 314.385 3.539 20 5 DHBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848637 1027446725 /nfs/dbraw/zinc/44/67/25/1027446725.db2.gz LKJXPVPUZPHMHW-RDTXWAMCSA-N 1 0 314.385 3.539 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC000812877756 1027456290 /nfs/dbraw/zinc/45/62/90/1027456290.db2.gz GSQFSAPJTGVESA-IAGOWNOFSA-N 1 0 318.417 3.721 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC000812877758 1027456381 /nfs/dbraw/zinc/45/63/81/1027456381.db2.gz GSQFSAPJTGVESA-SJORKVTESA-N 1 0 318.417 3.721 20 5 DHBDRO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000295927849 1027492327 /nfs/dbraw/zinc/49/23/27/1027492327.db2.gz FJWFRGCPSVTLBQ-LBPRGKRZSA-N 1 0 314.389 3.533 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000575748834 1027496488 /nfs/dbraw/zinc/49/64/88/1027496488.db2.gz OHLYIOBOJURSMK-IACUBPJLSA-N 1 0 310.369 3.925 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423419807 1027537358 /nfs/dbraw/zinc/53/73/58/1027537358.db2.gz WICCXIZWEUCDRA-ZDUSSCGKSA-N 1 0 311.385 3.804 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@@]2(C)Cc2cccs2)c1[N+](=O)[O-] ZINC000932924086 1027652983 /nfs/dbraw/zinc/65/29/83/1027652983.db2.gz WAWXYYDPOFMHJX-HNNXBMFYSA-N 1 0 321.402 3.550 20 5 DHBDRO CC(C)([NH2+]Cc1ccc2c(c1)COC2)c1ccccc1[N+](=O)[O-] ZINC000813791682 1027713424 /nfs/dbraw/zinc/71/34/24/1027713424.db2.gz HHPCRICWYMVQMW-UHFFFAOYSA-N 1 0 312.369 3.650 20 5 DHBDRO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000448361127 1027757670 /nfs/dbraw/zinc/75/76/70/1027757670.db2.gz VWWGJIGLTGOWPT-HOCLYGCPSA-N 1 0 320.433 3.844 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cccc2[nH]ccc21 ZINC000577767547 1027922845 /nfs/dbraw/zinc/92/28/45/1027922845.db2.gz DHCMQKQFQODPDC-GOSISDBHSA-N 1 0 321.380 3.896 20 5 DHBDRO COc1cc(F)cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000577886094 1027975228 /nfs/dbraw/zinc/97/52/28/1027975228.db2.gz AARMTKCMRPONRK-INIZCTEOSA-N 1 0 316.332 3.520 20 5 DHBDRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601266048 1028050192 /nfs/dbraw/zinc/05/01/92/1028050192.db2.gz ZVJGGGLQDAOSLU-KPZWWZAWSA-N 1 0 312.369 3.942 20 5 DHBDRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000601272513 1028052695 /nfs/dbraw/zinc/05/26/95/1028052695.db2.gz GGQNFXYTGGXPMG-YVEFUNNKSA-N 1 0 312.369 3.942 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000578668926 1028210685 /nfs/dbraw/zinc/21/06/85/1028210685.db2.gz UWQCVFHYJALVQA-VUCTXSBTSA-N 1 0 324.380 3.736 20 5 DHBDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564149153 1028327500 /nfs/dbraw/zinc/32/75/00/1028327500.db2.gz SUNAHMPTTXRLQP-XWIAVFTESA-N 1 0 313.401 3.787 20 5 DHBDRO CC(C)(C)OC1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000779128989 1028360720 /nfs/dbraw/zinc/36/07/20/1028360720.db2.gz RWLHUYDOYOJKHO-UHFFFAOYSA-N 1 0 312.797 3.684 20 5 DHBDRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000579258182 1028363472 /nfs/dbraw/zinc/36/34/72/1028363472.db2.gz DYEIDVQDCVSPMB-LRDDRELGSA-N 1 0 314.389 3.710 20 5 DHBDRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000579258181 1028364225 /nfs/dbraw/zinc/36/42/25/1028364225.db2.gz DYEIDVQDCVSPMB-BLLLJJGKSA-N 1 0 314.389 3.710 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C2CC2)cs1 ZINC000449192197 1028431056 /nfs/dbraw/zinc/43/10/56/1028431056.db2.gz PPQMQMBBVRTUFW-NSHDSACASA-N 1 0 317.414 3.650 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000449195411 1028433370 /nfs/dbraw/zinc/43/33/70/1028433370.db2.gz WCHYHACKXFGUOS-GDBMZVCRSA-N 1 0 318.417 3.607 20 5 DHBDRO Cc1cccc2[nH]c(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])nc21 ZINC000449207982 1028445707 /nfs/dbraw/zinc/44/57/07/1028445707.db2.gz OSKUWDBWPMWWSF-CYBMUJFWSA-N 1 0 324.384 3.500 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449197326 1028451846 /nfs/dbraw/zinc/45/18/46/1028451846.db2.gz YYGRZYVYGMJFHQ-RYUDHWBXSA-N 1 0 317.389 3.524 20 5 DHBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369560524 1028503754 /nfs/dbraw/zinc/50/37/54/1028503754.db2.gz HIUHLWRCURRBFA-BLLLJJGKSA-N 1 0 317.414 3.761 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC000815575768 1028551509 /nfs/dbraw/zinc/55/15/09/1028551509.db2.gz ZQXVCQWOMJMRCL-MLGOLLRUSA-N 1 0 314.389 3.764 20 5 DHBDRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815581684 1028553180 /nfs/dbraw/zinc/55/31/80/1028553180.db2.gz MONXKJDTHUHDOQ-WCFLWFBJSA-N 1 0 309.435 3.502 20 5 DHBDRO CCC(CC)(C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)SC ZINC000815584340 1028553235 /nfs/dbraw/zinc/55/32/35/1028553235.db2.gz AJCJGESBADKQOR-LLVKDONJSA-N 1 0 311.451 3.749 20 5 DHBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000815584292 1028553838 /nfs/dbraw/zinc/55/38/38/1028553838.db2.gz ZLMWKIJMJBAPTM-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583625 1028556727 /nfs/dbraw/zinc/55/67/27/1028556727.db2.gz KJULYMDDLKNXLV-MYZSUADSSA-N 1 0 303.406 3.796 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583624 1028557323 /nfs/dbraw/zinc/55/73/23/1028557323.db2.gz KJULYMDDLKNXLV-DDHJSBNISA-N 1 0 303.406 3.796 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3c(F)cccc32)cc1 ZINC000449351024 1028565447 /nfs/dbraw/zinc/56/54/47/1028565447.db2.gz NPQAQNQHSFQGGY-KRWDZBQOSA-N 1 0 300.333 3.901 20 5 DHBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616590 1028571494 /nfs/dbraw/zinc/57/14/94/1028571494.db2.gz SDKKAYFIJDBDBM-PSASIEDQSA-N 1 0 305.300 3.559 20 5 DHBDRO Cc1cc2cc(C[NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000815625671 1028577783 /nfs/dbraw/zinc/57/77/83/1028577783.db2.gz JVIOSBPCWWMBKV-GFCCVEGCSA-N 1 0 324.384 3.818 20 5 DHBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449415366 1028611692 /nfs/dbraw/zinc/61/16/92/1028611692.db2.gz NXTVEHSRRQSWMN-INIZCTEOSA-N 1 0 316.357 3.512 20 5 DHBDRO CSCC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000449428017 1028634174 /nfs/dbraw/zinc/63/41/74/1028634174.db2.gz XTQURYDKUGQKLW-UHFFFAOYSA-N 1 0 308.447 3.915 20 5 DHBDRO CS[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449445036 1028648238 /nfs/dbraw/zinc/64/82/38/1028648238.db2.gz GNLYYZBKGLSYMK-ZDUSSCGKSA-N 1 0 318.398 3.792 20 5 DHBDRO COCC1(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000566222139 1028691176 /nfs/dbraw/zinc/69/11/76/1028691176.db2.gz YHEXJLNUDWXENS-QGZVFWFLSA-N 1 0 318.417 3.769 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000779200121 1028696020 /nfs/dbraw/zinc/69/60/20/1028696020.db2.gz RZDFWLNAJVFBIH-KRWDZBQOSA-N 1 0 314.360 3.845 20 5 DHBDRO Cc1ccncc1C1=CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000371477539 1028718314 /nfs/dbraw/zinc/71/83/14/1028718314.db2.gz MVOZLMJWMKHEIW-UHFFFAOYSA-N 1 0 323.396 3.630 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000566646183 1028757763 /nfs/dbraw/zinc/75/77/63/1028757763.db2.gz DNSUELMVLLIPBI-CLTKARDFSA-N 1 0 310.353 3.990 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449758885 1028964561 /nfs/dbraw/zinc/96/45/61/1028964561.db2.gz HQMZLQNOVSSKIJ-HUUCEWRRSA-N 1 0 312.797 3.686 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCOCC2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000568007886 1028992981 /nfs/dbraw/zinc/99/29/81/1028992981.db2.gz SNILIVIPZLWYPD-KRWDZBQOSA-N 1 0 318.417 3.724 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000411496979 1029139999 /nfs/dbraw/zinc/13/99/99/1029139999.db2.gz YOAYCJKEDSDQFX-XFBWCDHKSA-N 1 0 300.333 3.941 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc([N+](=O)[O-])c1 ZINC000568941383 1029149371 /nfs/dbraw/zinc/14/93/71/1029149371.db2.gz KMLKQXNMYWWMRR-KRWDZBQOSA-N 1 0 324.384 3.722 20 5 DHBDRO CC(C)c1[nH+]c(CNCc2ccc([N+](=O)[O-])cc2)c2ccccn21 ZINC000570285108 1029345524 /nfs/dbraw/zinc/34/55/24/1029345524.db2.gz RAUDZEKACLYGTH-UHFFFAOYSA-N 1 0 324.384 3.656 20 5 DHBDRO [NH3+]CCCCCCCn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000818620096 1029422678 /nfs/dbraw/zinc/42/26/78/1029422678.db2.gz QRKHSBKECMTQOV-UHFFFAOYSA-N 1 0 310.785 3.507 20 5 DHBDRO CC(C)c1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819241703 1029509717 /nfs/dbraw/zinc/50/97/17/1029509717.db2.gz UHGGAWXNJDAVFJ-SFHVURJKSA-N 1 0 314.385 3.541 20 5 DHBDRO C[C@@H](CC1CCCCC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819266151 1029527710 /nfs/dbraw/zinc/52/77/10/1029527710.db2.gz FAZYKCOMEDMUNN-SUMWQHHRSA-N 1 0 306.406 3.577 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000925229789 1029580894 /nfs/dbraw/zinc/58/08/94/1029580894.db2.gz IMYQHQLKDXTHTD-BLLLJJGKSA-N 1 0 315.373 3.800 20 5 DHBDRO CC(C)[C@H](CO)[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000451612708 1029945811 /nfs/dbraw/zinc/94/58/11/1029945811.db2.gz MNPZPXLYBNRSQM-QRTARXTBSA-N 1 0 308.422 3.535 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cs1 ZINC000357349140 1030011210 /nfs/dbraw/zinc/01/12/10/1030011210.db2.gz CFBHJBJUAQLGDI-GOEBONIOSA-N 1 0 318.398 3.524 20 5 DHBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865883831 1030075136 /nfs/dbraw/zinc/07/51/36/1030075136.db2.gz MQXMHBNTXBTUKM-UHFFFAOYSA-N 1 0 313.348 3.817 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000530952636 1030094585 /nfs/dbraw/zinc/09/45/85/1030094585.db2.gz SXNFHAHQBIROBB-UHFFFAOYSA-N 1 0 306.431 3.847 20 5 DHBDRO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000822812649 1030132268 /nfs/dbraw/zinc/13/22/68/1030132268.db2.gz JGVMJBIFQZGUPH-ONGXEEELSA-N 1 0 303.189 3.829 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C(C)C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000357800576 1030195404 /nfs/dbraw/zinc/19/54/04/1030195404.db2.gz JLLMAQDOWCDZLX-JKSUJKDBSA-N 1 0 308.422 3.821 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)c1nccs1 ZINC000866338770 1030240796 /nfs/dbraw/zinc/24/07/96/1030240796.db2.gz XLBVQSQFWZYWLW-QWRGUYRKSA-N 1 0 323.393 3.515 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCSC1 ZINC000866401828 1030280603 /nfs/dbraw/zinc/28/06/03/1030280603.db2.gz FQDUQUQZUMSHOY-KGLIPLIRSA-N 1 0 308.447 3.649 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCS1 ZINC000866480026 1030315800 /nfs/dbraw/zinc/31/58/00/1030315800.db2.gz CRJQMNAFZVQTHP-RISCZKNCSA-N 1 0 312.410 3.540 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000866539428 1030361073 /nfs/dbraw/zinc/36/10/73/1030361073.db2.gz LSKMKMWXEYZBRJ-GFCCVEGCSA-N 1 0 315.329 3.662 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925466884 1030370519 /nfs/dbraw/zinc/37/05/19/1030370519.db2.gz OUOHBGNFKBWUJX-GFCCVEGCSA-N 1 0 317.389 3.873 20 5 DHBDRO CCC[C@@H]([NH2+]CCN1CC=C(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358220092 1030387662 /nfs/dbraw/zinc/38/76/62/1030387662.db2.gz DIGAPKXMVZKQCX-GOSISDBHSA-N 1 0 317.433 3.678 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)COC3)cccc1[N+](=O)[O-] ZINC000358301452 1030428155 /nfs/dbraw/zinc/42/81/55/1030428155.db2.gz PQQDOMTXPKDKLS-ZDUSSCGKSA-N 1 0 312.369 3.784 20 5 DHBDRO CC[C@H]([NH2+]CCSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358334207 1030443301 /nfs/dbraw/zinc/44/33/01/1030443301.db2.gz YANIFXDNZNKPML-LBPRGKRZSA-N 1 0 322.352 3.931 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC2(CCCC2)O1 ZINC000558740488 1030760327 /nfs/dbraw/zinc/76/03/27/1030760327.db2.gz LRMSQPNWYIVVJP-QGZVFWFLSA-N 1 0 318.417 3.561 20 5 DHBDRO CC[C@@H]([NH2+]Cc1c2ccccc2cc2ccccc21)C(=O)NC ZINC000825316795 1030770827 /nfs/dbraw/zinc/77/08/27/1030770827.db2.gz UKASDUSONDKRQE-LJQANCHMSA-N 1 0 306.409 3.607 20 5 DHBDRO CCCC[N@H+](C)CC1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000558890486 1030908185 /nfs/dbraw/zinc/90/81/85/1030908185.db2.gz QUTNFERGOQTDHO-UHFFFAOYSA-N 1 0 319.449 3.852 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)c2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC000926797012 1030935146 /nfs/dbraw/zinc/93/51/46/1030935146.db2.gz QJZGXKXCCZMHSQ-CYBMUJFWSA-N 1 0 314.389 3.676 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000078613022 1031008307 /nfs/dbraw/zinc/00/83/07/1031008307.db2.gz MCEDOGOZNDRSSG-OAHLLOKOSA-N 1 0 303.362 3.683 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc([N+](=O)[O-])c1 ZINC000926941045 1031008997 /nfs/dbraw/zinc/00/89/97/1031008997.db2.gz BMMPSOGTZFWSTQ-CIRFHOKZSA-N 1 0 316.401 3.617 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000927068215 1031067778 /nfs/dbraw/zinc/06/77/78/1031067778.db2.gz FXVRXRSJOBCGQP-JCKWVBRZSA-N 1 0 318.417 3.759 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000927126738 1031108836 /nfs/dbraw/zinc/10/88/36/1031108836.db2.gz ZJYOWZJLWAGZDZ-OLZOCXBDSA-N 1 0 322.380 3.876 20 5 DHBDRO COCC1(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000293115442 1031336528 /nfs/dbraw/zinc/33/65/28/1031336528.db2.gz YVDDTSXYMFTURA-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO CCC(O)(CC)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872027012 1031409297 /nfs/dbraw/zinc/40/92/97/1031409297.db2.gz ATZGJBLAUOPIQY-NSHDSACASA-N 1 0 312.435 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1scnc1C ZINC000872032861 1031416390 /nfs/dbraw/zinc/41/63/90/1031416390.db2.gz BENKSNIQTQVYTR-VIFPVBQESA-N 1 0 323.443 3.932 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872034977 1031420095 /nfs/dbraw/zinc/42/00/95/1031420095.db2.gz SUXKGMRBDMMZBI-NWDGAFQWSA-N 1 0 318.348 3.721 20 5 DHBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872036700 1031421893 /nfs/dbraw/zinc/42/18/93/1031421893.db2.gz VJNHXTYHWJEWQY-NHYWBVRUSA-N 1 0 312.435 3.518 20 5 DHBDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039220 1031424174 /nfs/dbraw/zinc/42/41/74/1031424174.db2.gz DQFZBONLAWGAHR-GFCCVEGCSA-N 1 0 312.385 3.573 20 5 DHBDRO Cc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1C ZINC001171156460 1031429717 /nfs/dbraw/zinc/42/97/17/1031429717.db2.gz MESWGGASSOCHFG-UHFFFAOYSA-N 1 0 314.385 3.722 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cscn1 ZINC000872044513 1031431820 /nfs/dbraw/zinc/43/18/20/1031431820.db2.gz VFAHSVYSOVTHGT-JTQLQIEISA-N 1 0 323.443 3.667 20 5 DHBDRO CC(C)[N@H+](CCCc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000360450861 1031432962 /nfs/dbraw/zinc/43/29/62/1031432962.db2.gz XPSKDMBPSAWVCN-UHFFFAOYSA-N 1 0 313.401 3.833 20 5 DHBDRO CCOCCC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872049011 1031436526 /nfs/dbraw/zinc/43/65/26/1031436526.db2.gz OBKYKCXBDYQVKL-CYBMUJFWSA-N 1 0 324.396 3.981 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049442 1031439002 /nfs/dbraw/zinc/43/90/02/1031439002.db2.gz SSHPKZDXRLJZNZ-ZJUUUORDSA-N 1 0 302.296 3.962 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000872053083 1031440769 /nfs/dbraw/zinc/44/07/69/1031440769.db2.gz HSQDODBBYFYLDA-UTUOFQBUSA-N 1 0 324.446 3.923 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000872052090 1031440808 /nfs/dbraw/zinc/44/08/08/1031440808.db2.gz BQLBTZUSQJEJJB-NEPJUHHUSA-N 1 0 310.419 3.536 20 5 DHBDRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872063223 1031459138 /nfs/dbraw/zinc/45/91/38/1031459138.db2.gz VHJHZNBJWYAEBX-ONGXEEELSA-N 1 0 323.393 3.953 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000872065221 1031460167 /nfs/dbraw/zinc/46/01/67/1031460167.db2.gz VVSXOYXAZSRWQS-YPMHNXCESA-N 1 0 308.403 3.660 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069821 1031465029 /nfs/dbraw/zinc/46/50/29/1031465029.db2.gz VMGRPWZHEORYKG-NXEZZACHSA-N 1 0 302.296 3.820 20 5 DHBDRO C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071687 1031467424 /nfs/dbraw/zinc/46/74/24/1031467424.db2.gz VIRZCBAXJYVAIZ-MRVPVSSYSA-N 1 0 306.259 3.727 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872075227 1031471850 /nfs/dbraw/zinc/47/18/50/1031471850.db2.gz AQAABASSJPOXFJ-VHSXEESVSA-N 1 0 302.296 3.820 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CC(C)(C)O ZINC000872074846 1031472449 /nfs/dbraw/zinc/47/24/49/1031472449.db2.gz JEGYPXYFJFKNCL-MNOVXSKESA-N 1 0 312.435 3.517 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077889 1031473670 /nfs/dbraw/zinc/47/36/70/1031473670.db2.gz NGFLHZJBGAJIOK-NEPJUHHUSA-N 1 0 310.369 3.590 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078722 1031474323 /nfs/dbraw/zinc/47/43/23/1031474323.db2.gz IRSWZGZGOHUSAP-NSHDSACASA-N 1 0 310.369 3.590 20 5 DHBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872080127 1031477361 /nfs/dbraw/zinc/47/73/61/1031477361.db2.gz STWGFWSDIWNYCA-GDLCADMTSA-N 1 0 310.419 3.535 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872088324 1031485189 /nfs/dbraw/zinc/48/51/89/1031485189.db2.gz PUWFMZGXIKERFF-RKDXNWHRSA-N 1 0 321.179 3.968 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000872090262 1031488406 /nfs/dbraw/zinc/48/84/06/1031488406.db2.gz OVOPVHVZQFWTAW-JVLSTEMRSA-N 1 0 322.430 3.535 20 5 DHBDRO CC(C)[N@H+](CCc1ccns1)Cc1ccc([N+](=O)[O-])cc1 ZINC000929338240 1031498171 /nfs/dbraw/zinc/49/81/71/1031498171.db2.gz REOFTFPURPJXJV-UHFFFAOYSA-N 1 0 305.403 3.504 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cccc1[N+](=O)[O-] ZINC000872109533 1031500195 /nfs/dbraw/zinc/50/01/95/1031500195.db2.gz OBIPEVQWKVVXBA-QDEZUTFSSA-N 1 0 304.390 3.511 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360686011 1031522089 /nfs/dbraw/zinc/52/20/89/1031522089.db2.gz PEOGJIIBKDGGJC-IBGZPJMESA-N 1 0 324.380 3.616 20 5 DHBDRO COc1ccccc1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368077 1031634949 /nfs/dbraw/zinc/63/49/49/1031634949.db2.gz FWQYBKIHIFJABC-UHFFFAOYSA-N 1 0 306.749 3.547 20 5 DHBDRO Cc1nc(C)c(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000873048370 1031699266 /nfs/dbraw/zinc/69/92/66/1031699266.db2.gz YQWMFMQRIILFIH-UHFFFAOYSA-N 1 0 319.430 3.617 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000873149945 1031725610 /nfs/dbraw/zinc/72/56/10/1031725610.db2.gz VYEXYBGNNZKOFK-OAHLLOKOSA-N 1 0 318.417 3.508 20 5 DHBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000930241819 1031753541 /nfs/dbraw/zinc/75/35/41/1031753541.db2.gz MSXMDWSMGJYECN-GFCCVEGCSA-N 1 0 322.714 3.676 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(N)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000873287887 1031790387 /nfs/dbraw/zinc/79/03/87/1031790387.db2.gz NNCPEGBHGSUIBI-MRXNPFEDSA-N 1 0 303.337 3.557 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000846037098 1031830741 /nfs/dbraw/zinc/83/07/41/1031830741.db2.gz YSIPUWPAMMSATJ-KBPBESRZSA-N 1 0 300.761 3.698 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)o2)c1 ZINC000846111230 1031862329 /nfs/dbraw/zinc/86/23/29/1031862329.db2.gz KOPBJXAHDQWSIM-OKILXGFUSA-N 1 0 320.295 3.552 20 5 DHBDRO CC1(C)CC2(CC([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)CO1 ZINC000897969716 1031885604 /nfs/dbraw/zinc/88/56/04/1031885604.db2.gz AHTWCIYDSKIQFF-KVIBHRHWSA-N 1 0 316.401 3.519 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC12CCCC2 ZINC000898110862 1031949379 /nfs/dbraw/zinc/94/93/79/1031949379.db2.gz IAVJZXIMBWWQQK-RHSMWYFYSA-N 1 0 318.417 3.607 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898326281 1032024587 /nfs/dbraw/zinc/02/45/87/1032024587.db2.gz VGKLMHBDLZPWPH-AJNOYIKESA-N 1 0 309.369 3.744 20 5 DHBDRO CCOC1(C)CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877543697 1033347083 /nfs/dbraw/zinc/34/70/83/1033347083.db2.gz KDYJKBTTWOOXGX-UHFFFAOYSA-N 1 0 306.406 3.603 20 5 DHBDRO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccccc1 ZINC000478033320 1033398604 /nfs/dbraw/zinc/39/86/04/1033398604.db2.gz LKKRDOMJPDCVKN-HNNXBMFYSA-N 1 0 316.405 3.655 20 5 DHBDRO CC(C)(C)OC1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000877682576 1033410670 /nfs/dbraw/zinc/41/06/70/1033410670.db2.gz PNUPZJRPGJFUPG-UHFFFAOYSA-N 1 0 320.433 3.853 20 5 DHBDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000877685390 1033412421 /nfs/dbraw/zinc/41/24/21/1033412421.db2.gz XGSBVAJVOBLMAQ-MRVPVSSYSA-N 1 0 311.794 3.864 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1ccsc1)CC2 ZINC001172899207 1033435825 /nfs/dbraw/zinc/43/58/25/1033435825.db2.gz MFXDVWZYIQNWQN-MRXNPFEDSA-N 1 0 316.426 3.736 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCC(F)(F)F)CC2 ZINC001172903724 1033437113 /nfs/dbraw/zinc/43/71/13/1033437113.db2.gz SQRQMWAPUFQZHG-ZDUSSCGKSA-N 1 0 316.323 3.774 20 5 DHBDRO CC1(C)CC(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902596 1033437382 /nfs/dbraw/zinc/43/73/82/1033437382.db2.gz FILBBSMMAXHAAQ-MRXNPFEDSA-N 1 0 302.418 3.868 20 5 DHBDRO C[C@]1(F)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906117 1033437597 /nfs/dbraw/zinc/43/75/97/1033437597.db2.gz WILNKDKVPPEXOL-WBVHZDCISA-N 1 0 306.381 3.666 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[C@@H](F)C1)CC2 ZINC001172896391 1033461805 /nfs/dbraw/zinc/46/18/05/1033461805.db2.gz OUPTVDHLMBTSJW-WQVCFCJDSA-N 1 0 306.381 3.570 20 5 DHBDRO Cc1cccc(C(=[NH2+])N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172913782 1033462467 /nfs/dbraw/zinc/46/24/67/1033462467.db2.gz ZHMLEAIBCVPIFM-KRWDZBQOSA-N 1 0 323.396 3.766 20 5 DHBDRO Cc1cccc(C(=[NH2+])N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172913785 1033462715 /nfs/dbraw/zinc/46/27/15/1033462715.db2.gz ZHMLEAIBCVPIFM-QGZVFWFLSA-N 1 0 323.396 3.766 20 5 DHBDRO CC(C)[N@H+](CC1CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172917701 1033464585 /nfs/dbraw/zinc/46/45/85/1033464585.db2.gz WNCUWDFOVUJVDC-KRWDZBQOSA-N 1 0 302.418 3.963 20 5 DHBDRO Cc1csc([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000877814849 1033465500 /nfs/dbraw/zinc/46/55/00/1033465500.db2.gz YPBDCWQLVCPNJJ-AWEZNQCLSA-N 1 0 317.414 3.658 20 5 DHBDRO CC(C)[C@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922626 1033469000 /nfs/dbraw/zinc/46/90/00/1033469000.db2.gz ZIZJOKBTVUSWIQ-FUHWJXTLSA-N 1 0 302.418 3.963 20 5 DHBDRO C[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001172909716 1033483099 /nfs/dbraw/zinc/48/30/99/1033483099.db2.gz VFHYIQSCOHAMFA-DOMZBBRYSA-N 1 0 324.371 3.819 20 5 DHBDRO CCC[N@H+](CC1CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910018 1033483203 /nfs/dbraw/zinc/48/32/03/1033483203.db2.gz WMWXAQIZCASUQH-KRWDZBQOSA-N 1 0 302.418 3.964 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cnc(C)s2)cc1[N+](=O)[O-] ZINC000153594892 1033583844 /nfs/dbraw/zinc/58/38/44/1033583844.db2.gz KXUYOQONOFVGAY-SNVBAGLBSA-N 1 0 321.402 3.609 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)C2CCCC2)c1F ZINC001173190615 1033584123 /nfs/dbraw/zinc/58/41/23/1033584123.db2.gz ZRIAAEDLQNNRLN-RYUDHWBXSA-N 1 0 324.396 3.842 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(Cl)c1 ZINC001173216142 1033597807 /nfs/dbraw/zinc/59/78/07/1033597807.db2.gz KSCGRGWHJBOMIM-GFCCVEGCSA-N 1 0 304.777 3.969 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1Cl ZINC001173217322 1033597926 /nfs/dbraw/zinc/59/79/26/1033597926.db2.gz TVGIVNSDTBAWRO-LBPRGKRZSA-N 1 0 304.777 3.969 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)cc(F)cc1F ZINC001173219213 1033600352 /nfs/dbraw/zinc/60/03/52/1033600352.db2.gz YYTGAVBHRVXMLJ-SNVBAGLBSA-N 1 0 324.302 3.733 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001173223413 1033603081 /nfs/dbraw/zinc/60/30/81/1033603081.db2.gz IPMDOMAVVJDLSS-RDJZCZTQSA-N 1 0 324.424 3.921 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1Cc2ccc(F)cc2C1 ZINC001173224925 1033603982 /nfs/dbraw/zinc/60/39/82/1033603982.db2.gz AAANUOKKKPEEGD-GFCCVEGCSA-N 1 0 300.333 3.681 20 5 DHBDRO Cc1cc([C@H]2CCC[N@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173229217 1033606029 /nfs/dbraw/zinc/60/60/29/1033606029.db2.gz RPZJNGSXEIUDDN-SJKOYZFVSA-N 1 0 315.373 3.659 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2ncccc21 ZINC001173232638 1033608040 /nfs/dbraw/zinc/60/80/40/1033608040.db2.gz FDROYJHGACTUIW-UGSOOPFHSA-N 1 0 311.385 3.588 20 5 DHBDRO CC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173231983 1033609118 /nfs/dbraw/zinc/60/91/18/1033609118.db2.gz BVJLROPWZVKMAY-ZDUSSCGKSA-N 1 0 312.369 3.518 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)ccc(F)c1F ZINC001173213835 1033613545 /nfs/dbraw/zinc/61/35/45/1033613545.db2.gz LBTXDNCXPBTWGK-JTQLQIEISA-N 1 0 324.302 3.733 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173210093 1033614441 /nfs/dbraw/zinc/61/44/41/1033614441.db2.gz IDUKDWLUONWHAU-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(C[NH3+])c2ccccc21 ZINC001173211126 1033614456 /nfs/dbraw/zinc/61/44/56/1033614456.db2.gz PPFSDFXDDFVKKD-ZDUSSCGKSA-N 1 0 309.369 3.812 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C1CCC1)C1CCOCC1 ZINC001173238515 1033647865 /nfs/dbraw/zinc/64/78/65/1033647865.db2.gz UPJOXJXSDYUEHV-AWEZNQCLSA-N 1 0 318.417 3.559 20 5 DHBDRO Cc1csc([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008869 1034181164 /nfs/dbraw/zinc/18/11/64/1034181164.db2.gz FEUVCIYZTSUUGC-CHWSQXEVSA-N 1 0 317.414 3.910 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000880320469 1034296031 /nfs/dbraw/zinc/29/60/31/1034296031.db2.gz TUXYVZXFICFQJJ-LLVKDONJSA-N 1 0 323.805 3.694 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880318464 1034296725 /nfs/dbraw/zinc/29/67/25/1034296725.db2.gz ZLAMFFQTHGRZOV-JTQLQIEISA-N 1 0 323.805 3.694 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880318354 1034297717 /nfs/dbraw/zinc/29/77/17/1034297717.db2.gz YCVSEPOFYWYQKR-NEPJUHHUSA-N 1 0 303.387 3.602 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480619909 1034355491 /nfs/dbraw/zinc/35/54/91/1034355491.db2.gz BLHQOLWCUVTHIU-FMKPAKJESA-N 1 0 319.449 3.674 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000554887762 1034389063 /nfs/dbraw/zinc/38/90/63/1034389063.db2.gz PCNRJRABYKDKAC-UHFFFAOYSA-N 1 0 320.433 3.701 20 5 DHBDRO C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000480693190 1034404379 /nfs/dbraw/zinc/40/43/79/1034404379.db2.gz JSSHHIMPOABZKA-KDOFPFPSSA-N 1 0 319.449 3.756 20 5 DHBDRO C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000481041122 1034566856 /nfs/dbraw/zinc/56/68/56/1034566856.db2.gz TYFROHYFLMPMJW-CHWSQXEVSA-N 1 0 318.348 3.852 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000481169730 1034627615 /nfs/dbraw/zinc/62/76/15/1034627615.db2.gz FKCLYFVFWIARNR-BPUTZDHNSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000481183179 1034637026 /nfs/dbraw/zinc/63/70/26/1034637026.db2.gz QPBAFBTYTVQATP-DZKIICNBSA-N 1 0 319.449 3.674 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc3n[nH]cc32)C2CC2)c1 ZINC000600111576 1034746045 /nfs/dbraw/zinc/74/60/45/1034746045.db2.gz JIPYDYOVODTQPA-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]3OCC[C@@H]31)CCC2 ZINC000192961546 1034823093 /nfs/dbraw/zinc/82/30/93/1034823093.db2.gz MQJPASGFRNQEKP-NRSFXHEJSA-N 1 0 316.401 3.519 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCc1ccccn1)CCC2 ZINC000193033564 1034827386 /nfs/dbraw/zinc/82/73/86/1034827386.db2.gz PXNKPBUZGKHBFQ-SFHVURJKSA-N 1 0 311.385 3.590 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Cl)cn1)CCC2 ZINC000193069902 1034828989 /nfs/dbraw/zinc/82/89/89/1034828989.db2.gz BKMOZKGYFUXCIX-INIZCTEOSA-N 1 0 317.776 3.810 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@H](C3CC3)C1)CCC2 ZINC000193291604 1034839012 /nfs/dbraw/zinc/83/90/12/1034839012.db2.gz CEWBIVREJRSYPX-OLMNPRSZSA-N 1 0 316.401 3.519 20 5 DHBDRO CCOC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCC1 ZINC000555615827 1034840200 /nfs/dbraw/zinc/84/02/00/1034840200.db2.gz DACWKUBIZTYCSI-VQHVLOKHSA-N 1 0 304.390 3.547 20 5 DHBDRO CC[C@H]1CCCC[N@@H+]1CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482947474 1035203847 /nfs/dbraw/zinc/20/38/47/1035203847.db2.gz KGSNXVDEYXTLQE-WBVHZDCISA-N 1 0 319.449 3.818 20 5 DHBDRO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCC1 ZINC000483131814 1035231539 /nfs/dbraw/zinc/23/15/39/1035231539.db2.gz RTYMBNAYPOSIBN-UHFFFAOYSA-N 1 0 315.373 3.872 20 5 DHBDRO CCCC[N@H+](CCOC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470177003 1035324348 /nfs/dbraw/zinc/32/43/48/1035324348.db2.gz ZVBYJWQIQVSTAT-NTCAYCPXSA-N 1 0 306.406 3.747 20 5 DHBDRO CC[C@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001177683727 1035386804 /nfs/dbraw/zinc/38/68/04/1035386804.db2.gz RAGJVSONDVADBC-OAHLLOKOSA-N 1 0 314.385 3.757 20 5 DHBDRO CC[NH+](CC)C[C@H](C)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001177733859 1035390631 /nfs/dbraw/zinc/39/06/31/1035390631.db2.gz VGVUIZUGTMZKNS-AWEZNQCLSA-N 1 0 307.438 3.538 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(c3ccc(F)cc3F)CC2)c1 ZINC001178222955 1035417574 /nfs/dbraw/zinc/41/75/74/1035417574.db2.gz GSWMTAKZTPSFTE-UHFFFAOYSA-N 1 0 318.323 3.694 20 5 DHBDRO C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1cccc([N+](=O)[O-])c1 ZINC000924798896 1035421485 /nfs/dbraw/zinc/42/14/85/1035421485.db2.gz PTUYSJRVWBVAHF-RFSCMCKOSA-N 1 0 304.390 3.593 20 5 DHBDRO COc1ccccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001178326271 1035424323 /nfs/dbraw/zinc/42/43/23/1035424323.db2.gz HILORYJXDUJYAM-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC001178393870 1035424720 /nfs/dbraw/zinc/42/47/20/1035424720.db2.gz XISPFTMSDDIFTC-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]C/C=C\c2ccc(F)cc2F)c1 ZINC001178393032 1035424835 /nfs/dbraw/zinc/42/48/35/1035424835.db2.gz DZTASVGKKNQOBX-RQOWECAXSA-N 1 0 318.323 3.719 20 5 DHBDRO CC(C)Oc1cccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC001178386540 1035425024 /nfs/dbraw/zinc/42/50/24/1035425024.db2.gz BYJNJRFMFXEWHO-UHFFFAOYSA-N 1 0 314.385 3.714 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)C(F)(F)F ZINC001178549540 1035435454 /nfs/dbraw/zinc/43/54/54/1035435454.db2.gz LSDBUPWKBVJPCR-UHFFFAOYSA-N 1 0 304.312 3.890 20 5 DHBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001178709667 1035444329 /nfs/dbraw/zinc/44/43/29/1035444329.db2.gz ITUIFZWEOSDVLA-OLZOCXBDSA-N 1 0 300.358 3.991 20 5 DHBDRO Cc1c(C[NH2+]CC[C@H]2CCC(C)(C)CO2)cccc1[N+](=O)[O-] ZINC001179685246 1035489014 /nfs/dbraw/zinc/48/90/14/1035489014.db2.gz IATCUNTZZFFLTC-OAHLLOKOSA-N 1 0 306.406 3.588 20 5 DHBDRO CCc1cc(OC)ccc1CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001180071631 1035583455 /nfs/dbraw/zinc/58/34/55/1035583455.db2.gz DKBHYTAODBFCFG-UHFFFAOYSA-N 1 0 312.369 3.682 20 5 DHBDRO CCCC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001193223571 1035589277 /nfs/dbraw/zinc/58/92/77/1035589277.db2.gz BVWRGSMXBRLVRY-HNNXBMFYSA-N 1 0 306.406 3.922 20 5 DHBDRO COc1ccc(C[N@@H+]2CCCC23CCCCC3)cc1[N+](=O)[O-] ZINC000535381209 1035604624 /nfs/dbraw/zinc/60/46/24/1035604624.db2.gz ADBYIUGTOXTWKJ-UHFFFAOYSA-N 1 0 304.390 3.902 20 5 DHBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1C ZINC001193413515 1035633541 /nfs/dbraw/zinc/63/35/41/1035633541.db2.gz OBXDTOQRCIHZPM-RHSMWYFYSA-N 1 0 306.406 3.874 20 5 DHBDRO C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089888652 1035766004 /nfs/dbraw/zinc/76/60/04/1035766004.db2.gz YDCHOYQJCZRFFA-CYBMUJFWSA-N 1 0 315.373 3.872 20 5 DHBDRO C[C@@H](C(=O)N(C)Cc1c2ccccc2cc2ccccc21)[NH+](C)C ZINC001180864568 1035773203 /nfs/dbraw/zinc/77/32/03/1035773203.db2.gz VVWJLGNDIZRJIX-HNNXBMFYSA-N 1 0 320.436 3.902 20 5 DHBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089909530 1035793562 /nfs/dbraw/zinc/79/35/62/1035793562.db2.gz JUUXEONIOMPBTQ-VXGBXAGGSA-N 1 0 301.346 3.623 20 5 DHBDRO C[N@H+](CCc1cccc(Cl)c1)CCc1cccc([N+](=O)[O-])c1 ZINC001181153886 1035852108 /nfs/dbraw/zinc/85/21/08/1035852108.db2.gz HZNOZACTVQXLIQ-UHFFFAOYSA-N 1 0 318.804 3.965 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000193023940 1035862013 /nfs/dbraw/zinc/86/20/13/1035862013.db2.gz NTRIJRLEXVJJDD-OAHLLOKOSA-N 1 0 314.341 3.564 20 5 DHBDRO CCc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000485738325 1035926307 /nfs/dbraw/zinc/92/63/07/1035926307.db2.gz NPRLNUCTWQAXDI-UHFFFAOYSA-N 1 0 314.385 3.798 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC000540139908 1035984606 /nfs/dbraw/zinc/98/46/06/1035984606.db2.gz HOBTUPLQFKNLHL-CZUORRHYSA-N 1 0 308.422 3.597 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000152922567 1036064809 /nfs/dbraw/zinc/06/48/09/1036064809.db2.gz GLNMXBGSBNCBGI-KRWDZBQOSA-N 1 0 316.357 3.514 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CCN(CCCCC(F)(F)F)C2 ZINC000153253195 1036160787 /nfs/dbraw/zinc/16/07/87/1036160787.db2.gz DWFWUGWYGOYGCQ-UHFFFAOYSA-N 1 0 302.296 3.686 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCSC(F)(F)F)CCC2 ZINC000774134998 1036194983 /nfs/dbraw/zinc/19/49/83/1036194983.db2.gz QTTNMWOCBGNWRJ-LBPRGKRZSA-N 1 0 320.336 3.815 20 5 DHBDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000774411870 1036323405 /nfs/dbraw/zinc/32/34/05/1036323405.db2.gz SKMUNWKGQSHNST-ZWKOTPCHSA-N 1 0 314.385 3.615 20 5 DHBDRO CS[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542000488 1036487413 /nfs/dbraw/zinc/48/74/13/1036487413.db2.gz NHHGADYUPTYJNJ-CYBMUJFWSA-N 1 0 314.838 3.966 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000090224800 1036488045 /nfs/dbraw/zinc/48/80/45/1036488045.db2.gz JUONFUAVSRNGJM-INIZCTEOSA-N 1 0 315.329 3.744 20 5 DHBDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000271714297 1036489845 /nfs/dbraw/zinc/48/98/45/1036489845.db2.gz VOGULCZYRLMRPB-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CC1(C)CC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000193317113 1036501998 /nfs/dbraw/zinc/50/19/98/1036501998.db2.gz QCUUOUBGSIISJJ-HOCLYGCPSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000542092718 1036509934 /nfs/dbraw/zinc/50/99/34/1036509934.db2.gz PGVYAMLXUXGJGE-NEPJUHHUSA-N 1 0 320.414 3.572 20 5 DHBDRO CCc1noc(C)c1C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271811254 1036547929 /nfs/dbraw/zinc/54/79/29/1036547929.db2.gz ROIBDCNFIPZWJM-OAHLLOKOSA-N 1 0 303.362 3.695 20 5 DHBDRO CCCC[N@H+](CC)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636138 1036598518 /nfs/dbraw/zinc/59/85/18/1036598518.db2.gz UHVLRGLPXHLZCC-UHFFFAOYSA-N 1 0 310.785 3.677 20 5 DHBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC001183653168 1036642418 /nfs/dbraw/zinc/64/24/18/1036642418.db2.gz ZVMDVIDYBUIPRJ-UHOFOFEASA-N 1 0 306.406 3.839 20 5 DHBDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001183779475 1036666134 /nfs/dbraw/zinc/66/61/34/1036666134.db2.gz NITMPUDKPHPKAQ-KCXAZCMYSA-N 1 0 304.390 3.593 20 5 DHBDRO CC(C)[C@@H](C)[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000915207966 1036708442 /nfs/dbraw/zinc/70/84/42/1036708442.db2.gz AHCJEWVYRLKDFH-SNVBAGLBSA-N 1 0 309.391 3.806 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000271936233 1036715070 /nfs/dbraw/zinc/71/50/70/1036715070.db2.gz OJBWRSZBJRHPTE-WOSRLPQWSA-N 1 0 322.405 3.602 20 5 DHBDRO C[C@@H]1c2sccc2CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001197431448 1036776443 /nfs/dbraw/zinc/77/64/43/1036776443.db2.gz FJSSGHRBXHIZGA-GFCCVEGCSA-N 1 0 318.398 3.654 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3C[C@H]3C3CCCC3)nc2c1 ZINC001184388401 1036831611 /nfs/dbraw/zinc/83/16/11/1036831611.db2.gz QDCAGYVGQAHVDM-OCCSQVGLSA-N 1 0 315.373 3.652 20 5 DHBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)[NH+](C)C ZINC001184740480 1036944638 /nfs/dbraw/zinc/94/46/38/1036944638.db2.gz QNUHTOSFCJYEOV-GFCCVEGCSA-N 1 0 315.364 3.921 20 5 DHBDRO Cc1cc(NCC[C@H](C)[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001186080214 1037303845 /nfs/dbraw/zinc/30/38/45/1037303845.db2.gz ZBYPUZVWVHTPQK-ZDUSSCGKSA-N 1 0 309.385 3.719 20 5 DHBDRO CCCC(O)(CCC)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526516 1037348108 /nfs/dbraw/zinc/34/81/08/1037348108.db2.gz OAFOXJHAHCRWRC-UHFFFAOYSA-N 1 0 314.813 3.669 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCCCO3)o2)c1 ZINC001199905420 1037357036 /nfs/dbraw/zinc/35/70/36/1037357036.db2.gz AKKHNWZCXBTDSM-OAHLLOKOSA-N 1 0 316.357 3.514 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000387296368 1037449107 /nfs/dbraw/zinc/44/91/07/1037449107.db2.gz CEZJUNBZTAPLHF-OAHLLOKOSA-N 1 0 318.398 3.702 20 5 DHBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000123356440 1037542831 /nfs/dbraw/zinc/54/28/31/1037542831.db2.gz XKIWGBWQLOWNHC-CHWSQXEVSA-N 1 0 315.373 3.665 20 5 DHBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccccc2C[NH+]2CCCC2)c1 ZINC001201221758 1037582463 /nfs/dbraw/zinc/58/24/63/1037582463.db2.gz GNPLJALQORCACO-UHFFFAOYSA-N 1 0 313.357 3.640 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(C2CC2)CC1)C1CC1 ZINC000090772755 1037594728 /nfs/dbraw/zinc/59/47/28/1037594728.db2.gz WIMUMZROPBOHLL-MRXNPFEDSA-N 1 0 300.402 3.696 20 5 DHBDRO Cc1cnc(NC[C@@H]2CC[N@@H+]2C2CCCCCC2)c([N+](=O)[O-])c1 ZINC001187361322 1037620388 /nfs/dbraw/zinc/62/03/88/1037620388.db2.gz JTGAJVKVFQQKGN-HNNXBMFYSA-N 1 0 318.421 3.507 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c(F)c1 ZINC000490402604 1037706640 /nfs/dbraw/zinc/70/66/40/1037706640.db2.gz QTJPXDCYPJEEOG-HNNXBMFYSA-N 1 0 300.333 3.551 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000776252568 1038071935 /nfs/dbraw/zinc/07/19/35/1038071935.db2.gz GRWJKPPFXXPUJJ-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO Cc1cc(F)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001202228776 1038093491 /nfs/dbraw/zinc/09/34/91/1038093491.db2.gz XHZRZFPFCZUJJF-UHFFFAOYSA-N 1 0 306.312 3.514 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000917007013 1038113668 /nfs/dbraw/zinc/11/36/68/1038113668.db2.gz VXRVHQWERNRISC-KRWDZBQOSA-N 1 0 314.360 3.941 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC001202227026 1038116477 /nfs/dbraw/zinc/11/64/77/1038116477.db2.gz JFGBPCWORVUVAV-UHFFFAOYSA-N 1 0 322.311 3.529 20 5 DHBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000055898033 1038280605 /nfs/dbraw/zinc/28/06/05/1038280605.db2.gz ATGVOUSESLOADP-UHFFFAOYSA-N 1 0 306.387 3.557 20 5 DHBDRO CC[C@@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000775391401 1038332861 /nfs/dbraw/zinc/33/28/61/1038332861.db2.gz ULMHHFRPOVVVIU-ZWKOTPCHSA-N 1 0 314.385 3.543 20 5 DHBDRO CCC[N@H+](C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC001190562124 1038343661 /nfs/dbraw/zinc/34/36/61/1038343661.db2.gz ZLCWDSBCNUTLON-CYBMUJFWSA-N 1 0 324.421 3.870 20 5 DHBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000589111280 1038434417 /nfs/dbraw/zinc/43/44/17/1038434417.db2.gz URUVXYVNEYYZSM-LLVKDONJSA-N 1 0 313.348 3.676 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000589199938 1038448818 /nfs/dbraw/zinc/44/88/18/1038448818.db2.gz NPLXEGQBYGPFOE-RDJZCZTQSA-N 1 0 318.417 3.542 20 5 DHBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001191743974 1038541757 /nfs/dbraw/zinc/54/17/57/1038541757.db2.gz XSWAZFNWUIJSAQ-JKSUJKDBSA-N 1 0 306.406 3.620 20 5 DHBDRO C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590154567 1038592510 /nfs/dbraw/zinc/59/25/10/1038592510.db2.gz OVCVVFKAHNQAGT-JTQLQIEISA-N 1 0 302.296 3.846 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590601958 1038674339 /nfs/dbraw/zinc/67/43/39/1038674339.db2.gz UFHIDMTXLRNZMG-HOCLYGCPSA-N 1 0 311.385 3.930 20 5 DHBDRO CC(C)([NH2+]C[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000775535896 1038675387 /nfs/dbraw/zinc/67/53/87/1038675387.db2.gz FLIXUWRODDVHIX-SNVBAGLBSA-N 1 0 303.189 3.613 20 5 DHBDRO CC(C)[C@@H]1CCCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001192652855 1038686959 /nfs/dbraw/zinc/68/69/59/1038686959.db2.gz ISZSMZNVGGVBNP-HNNXBMFYSA-N 1 0 306.406 3.874 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000590724002 1038689584 /nfs/dbraw/zinc/68/95/84/1038689584.db2.gz XFKPDUDWWNKIGU-YOGCLGLASA-N 1 0 309.797 3.594 20 5 DHBDRO Cc1ccnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000590757596 1038700298 /nfs/dbraw/zinc/70/02/98/1038700298.db2.gz BODZMGWSENSQID-INIZCTEOSA-N 1 0 311.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC3(CC(F)C3)C2)o1 ZINC000590969325 1038732686 /nfs/dbraw/zinc/73/26/86/1038732686.db2.gz ULUIDQJKUNIEAP-UHFFFAOYSA-N 1 0 316.332 3.789 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC1(F)F)CCCC2 ZINC000598679002 1038821094 /nfs/dbraw/zinc/82/10/94/1038821094.db2.gz CKBCMRJBZQACRU-IUODEOHRSA-N 1 0 310.344 3.997 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@H]1CC1(F)F)C1CC1 ZINC000598679754 1038822495 /nfs/dbraw/zinc/82/24/95/1038822495.db2.gz MJGWRDLBTHLHOO-KBPBESRZSA-N 1 0 310.344 3.551 20 5 DHBDRO CC[C@H](C)C[N@H+](CC)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761294732 1038943405 /nfs/dbraw/zinc/94/34/05/1038943405.db2.gz ZORDTKGHJBPOCS-LBPRGKRZSA-N 1 0 304.394 3.578 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1 ZINC000598989610 1038964878 /nfs/dbraw/zinc/96/48/78/1038964878.db2.gz NTTSNTHFCVPKGU-GVDBMIGSSA-N 1 0 314.772 3.676 20 5 DHBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1C1CC1 ZINC000598974536 1038971555 /nfs/dbraw/zinc/97/15/55/1038971555.db2.gz RUCAHSCVKUIBNH-UVBJJODRSA-N 1 0 313.401 3.643 20 5 DHBDRO CC[C@H](OCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000593664609 1038998769 /nfs/dbraw/zinc/99/87/69/1038998769.db2.gz PUMDXYKWMJVKLW-SFHVURJKSA-N 1 0 314.385 3.852 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000599073969 1039028262 /nfs/dbraw/zinc/02/82/62/1039028262.db2.gz OTGBNEZDUGHOPW-YOEHRIQHSA-N 1 0 317.433 3.571 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CO[C@@H](C3CC3)C1)CCCC2 ZINC000599085306 1039037790 /nfs/dbraw/zinc/03/77/90/1039037790.db2.gz PDJCRIXRKXVTDL-ZTFGCOKTSA-N 1 0 316.401 3.519 20 5 DHBDRO CCn1cc(C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C(C)C)cn1 ZINC000593677211 1039042892 /nfs/dbraw/zinc/04/28/92/1039042892.db2.gz UNUHXHKIGFNOFS-UHFFFAOYSA-N 1 0 316.405 3.530 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000593677180 1039044240 /nfs/dbraw/zinc/04/42/40/1039044240.db2.gz SZWWGCVMQPTHFZ-KRWDZBQOSA-N 1 0 300.333 3.819 20 5 DHBDRO CC(C)[N@H+](CCC[C@H]1CCOC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000592061251 1039105414 /nfs/dbraw/zinc/10/54/14/1039105414.db2.gz CFOOKLIJDAOIPQ-INIZCTEOSA-N 1 0 306.406 3.622 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183969 1039171853 /nfs/dbraw/zinc/17/18/53/1039171853.db2.gz MQCNYCKYRDTVQG-GJZGRUSLSA-N 1 0 318.417 3.855 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592392413 1039175568 /nfs/dbraw/zinc/17/55/68/1039175568.db2.gz RSABKKNLTWLSOY-WDEREUQCSA-N 1 0 316.348 3.935 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CC(F)F ZINC000592392180 1039175799 /nfs/dbraw/zinc/17/57/99/1039175799.db2.gz DXLIITGJFQMJIZ-NEPJUHHUSA-N 1 0 300.349 3.797 20 5 DHBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000603859744 1039193791 /nfs/dbraw/zinc/19/37/91/1039193791.db2.gz OYMYCJWOCHWAOQ-CYBMUJFWSA-N 1 0 309.385 3.658 20 5 DHBDRO Cc1c(C[NH2+][C@H](c2ccccn2)C2CCC2)cccc1[N+](=O)[O-] ZINC000599570481 1039208048 /nfs/dbraw/zinc/20/80/48/1039208048.db2.gz YJYUHAXYLGEDSO-SFHVURJKSA-N 1 0 311.385 3.929 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000604012866 1039279514 /nfs/dbraw/zinc/27/95/14/1039279514.db2.gz BRCSISJUIHWVNS-OAHLLOKOSA-N 1 0 304.390 3.628 20 5 DHBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000058610960 1039321751 /nfs/dbraw/zinc/32/17/51/1039321751.db2.gz JMKACKBWUHZHMR-HNNXBMFYSA-N 1 0 311.813 3.781 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[C@@H]2CC[NH2+]C2)c(-c2cccs2)c1 ZINC000574150867 1039402323 /nfs/dbraw/zinc/40/23/23/1039402323.db2.gz PBFYGQMUSFJOOC-LBPRGKRZSA-N 1 0 318.398 3.702 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000592399030 1039429764 /nfs/dbraw/zinc/42/97/64/1039429764.db2.gz LXFNCWLSGCGBFZ-LQKXBSAESA-N 1 0 320.458 3.790 20 5 DHBDRO O=[N+]([O-])c1sccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000604433066 1039474825 /nfs/dbraw/zinc/47/48/25/1039474825.db2.gz DEHAXKZHJUDUQZ-OAHLLOKOSA-N 1 0 317.414 3.905 20 5 DHBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000058733837 1039500331 /nfs/dbraw/zinc/50/03/31/1039500331.db2.gz HIIJSXWRBRJYSV-UHFFFAOYSA-N 1 0 317.364 3.668 20 5 DHBDRO Cc1ccc([C@@H](C)[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000059038171 1039716309 /nfs/dbraw/zinc/71/63/09/1039716309.db2.gz DITRWTGUEXLVSX-OAHLLOKOSA-N 1 0 314.385 3.975 20 5 DHBDRO COc1ccc(C)cc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594502795 1039802658 /nfs/dbraw/zinc/80/26/58/1039802658.db2.gz OPHUEJIYUMOMLV-INIZCTEOSA-N 1 0 312.369 3.689 20 5 DHBDRO CC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000594980975 1039994728 /nfs/dbraw/zinc/99/47/28/1039994728.db2.gz VWKMNPNLSUHOJD-OAHLLOKOSA-N 1 0 317.414 3.997 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1(F)F ZINC000594982949 1040001852 /nfs/dbraw/zinc/00/18/52/1040001852.db2.gz DDCHMZKVJCCXIC-OAHLLOKOSA-N 1 0 322.311 3.990 20 5 DHBDRO CC1(C)[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(F)F ZINC000594991148 1040007133 /nfs/dbraw/zinc/00/71/33/1040007133.db2.gz FDPKZAQGIAORFI-NSHDSACASA-N 1 0 304.724 3.629 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccncc1 ZINC000595029389 1040035931 /nfs/dbraw/zinc/03/59/31/1040035931.db2.gz XZSSURQOCFAMKB-BLLLJJGKSA-N 1 0 315.373 3.800 20 5 DHBDRO CCSCC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595029387 1040036880 /nfs/dbraw/zinc/03/68/80/1040036880.db2.gz XWXKFGZSAHTTQG-RYUDHWBXSA-N 1 0 312.435 3.786 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(C(F)F)nc1 ZINC000595029361 1040037208 /nfs/dbraw/zinc/03/72/08/1040037208.db2.gz XGUHXERYSLSIQX-LLVKDONJSA-N 1 0 321.327 3.821 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccncc1 ZINC000595029392 1040038025 /nfs/dbraw/zinc/03/80/25/1040038025.db2.gz XZSSURQOCFAMKB-WBMJQRKESA-N 1 0 315.373 3.800 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCCSC ZINC000595033420 1040039060 /nfs/dbraw/zinc/03/90/60/1040039060.db2.gz QCOWFGFNBVOTHE-GFCCVEGCSA-N 1 0 312.435 3.787 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(C(F)F)nc1 ZINC000595035509 1040043416 /nfs/dbraw/zinc/04/34/16/1040043416.db2.gz KREFDGVTOZTWIM-LLVKDONJSA-N 1 0 321.327 3.821 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC(C)(F)F ZINC000595039586 1040045297 /nfs/dbraw/zinc/04/52/97/1040045297.db2.gz TXPXGCBRTZEVRI-JTQLQIEISA-N 1 0 302.321 3.689 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)CC(F)(F)F ZINC000595052532 1040052837 /nfs/dbraw/zinc/05/28/37/1040052837.db2.gz RLIVIOHNJNUSAZ-ZJUUUORDSA-N 1 0 320.311 3.843 20 5 DHBDRO COC1CC(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000595051904 1040054926 /nfs/dbraw/zinc/05/49/26/1040054926.db2.gz XBWQMARRBFWXRJ-MKTAYPAQSA-N 1 0 318.417 3.722 20 5 DHBDRO COc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000595108149 1040069887 /nfs/dbraw/zinc/06/98/87/1040069887.db2.gz YUCFADWVTZTSOB-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595080170 1040071844 /nfs/dbraw/zinc/07/18/44/1040071844.db2.gz OEOOZQMETAFJHE-QMTHXVAHSA-N 1 0 314.332 3.689 20 5 DHBDRO Cc1noc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595324891 1040107453 /nfs/dbraw/zinc/10/74/53/1040107453.db2.gz CRBJREOPFBZFGH-WFASDCNBSA-N 1 0 315.373 3.517 20 5 DHBDRO Cc1noc(C[N@@H+]2CC[C@H](c3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595544928 1040170152 /nfs/dbraw/zinc/17/01/52/1040170152.db2.gz BYOSKGPFJNLJHZ-CQSZACIVSA-N 1 0 315.373 3.659 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000595819254 1040249529 /nfs/dbraw/zinc/24/95/29/1040249529.db2.gz MYFOYFDZCWGYEL-LKSINWNRSA-N 1 0 310.369 3.610 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595904468 1040272760 /nfs/dbraw/zinc/27/27/60/1040272760.db2.gz DELKUNBGLAIJPE-OLMNPRSZSA-N 1 0 316.401 3.548 20 5 DHBDRO Cc1ncc(-c2ccc(C[N@H+]3CCC[C@@H]3C)cc2)cc1[N+](=O)[O-] ZINC000596631666 1040528952 /nfs/dbraw/zinc/52/89/52/1040528952.db2.gz XBTYSANMDWKNQZ-ZDUSSCGKSA-N 1 0 311.385 3.950 20 5 DHBDRO CCC[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000601321543 1040599474 /nfs/dbraw/zinc/59/94/74/1040599474.db2.gz SQGDNHJSIFUPTF-CVEARBPZSA-N 1 0 314.389 3.757 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC3(C)C)o2)c([N+](=O)[O-])c1 ZINC000608836588 1040624321 /nfs/dbraw/zinc/62/43/21/1040624321.db2.gz WKCFQLIQPLRARY-INIZCTEOSA-N 1 0 316.357 3.752 20 5 DHBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000064114147 1040669480 /nfs/dbraw/zinc/66/94/80/1040669480.db2.gz NLIPAKSSBFILDP-QGZVFWFLSA-N 1 0 317.364 3.757 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000064114369 1040670880 /nfs/dbraw/zinc/67/08/80/1040670880.db2.gz LVKSKKIXKDRPHC-OAHLLOKOSA-N 1 0 303.362 3.683 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000597224011 1040704288 /nfs/dbraw/zinc/70/42/88/1040704288.db2.gz ARRNSUAXFAXBFG-SJLPKXTDSA-N 1 0 318.417 3.684 20 5 DHBDRO CC(C)OCCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602498389 1041062031 /nfs/dbraw/zinc/06/20/31/1041062031.db2.gz JQEVIYMGCABUFX-UHFFFAOYSA-N 1 0 320.311 3.518 20 5 DHBDRO CCC(CC)[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602588669 1041104999 /nfs/dbraw/zinc/10/49/99/1041104999.db2.gz ODGULEBFMSCTGU-FUHWJXTLSA-N 1 0 320.433 3.711 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000602679831 1041162271 /nfs/dbraw/zinc/16/22/71/1041162271.db2.gz SEPDBQAASFRNRI-LBPRGKRZSA-N 1 0 300.280 3.598 20 5 DHBDRO CS[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602679436 1041162586 /nfs/dbraw/zinc/16/25/86/1041162586.db2.gz KZBHAONRRHRRAW-LLVKDONJSA-N 1 0 320.336 3.551 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602703980 1041170679 /nfs/dbraw/zinc/17/06/79/1041170679.db2.gz UUDBGPAJDRJSMV-KWQFWETISA-N 1 0 320.336 3.597 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Cc2nccs2)CC1 ZINC000602732264 1041185933 /nfs/dbraw/zinc/18/59/33/1041185933.db2.gz FXBGQYFPLNYLOV-UHFFFAOYSA-N 1 0 317.414 3.506 20 5 DHBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000602800784 1041220865 /nfs/dbraw/zinc/22/08/65/1041220865.db2.gz CICCHXCJCSTQMO-CYBMUJFWSA-N 1 0 322.434 3.538 20 5 DHBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602803764 1041228731 /nfs/dbraw/zinc/22/87/31/1041228731.db2.gz DJMIORPZPUZFRJ-MRXNPFEDSA-N 1 0 316.405 3.514 20 5 DHBDRO Cc1nn(C[N@@H+](CCC(C)C)C2CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761279130 1041278536 /nfs/dbraw/zinc/27/85/36/1041278536.db2.gz DCKFRDPRDZQUIY-UHFFFAOYSA-N 1 0 316.405 3.721 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000090217368 185286982 /nfs/dbraw/zinc/28/69/82/185286982.db2.gz JEAZJYNQSFRPIF-NWDGAFQWSA-N 1 0 303.337 3.849 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090728479 185311519 /nfs/dbraw/zinc/31/15/19/185311519.db2.gz URXHDTAWWGVTFF-QWRGUYRKSA-N 1 0 303.362 3.654 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084138233 192405646 /nfs/dbraw/zinc/40/56/46/192405646.db2.gz PHRNZLDMHZKJDM-UHFFFAOYSA-N 1 0 302.296 3.759 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000035258393 182765755 /nfs/dbraw/zinc/76/57/55/182765755.db2.gz YGEWIZRNDXXRPH-UHFFFAOYSA-N 1 0 302.296 3.806 20 5 DHBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000042555435 183283720 /nfs/dbraw/zinc/28/37/20/183283720.db2.gz CXVLWZYYBFCGDL-ZJUUUORDSA-N 1 0 315.211 3.882 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000272129137 130000758 /nfs/dbraw/zinc/00/07/58/130000758.db2.gz VTGBUNXKZDEHRR-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000353480658 131107087 /nfs/dbraw/zinc/10/70/87/131107087.db2.gz CGWRCWGYHYDUQA-YOEHRIQHSA-N 1 0 307.438 3.756 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCOCC2)CC1 ZINC000284855390 131115684 /nfs/dbraw/zinc/11/56/84/131115684.db2.gz UGPASQNOLLNTFJ-AWEZNQCLSA-N 1 0 304.390 3.548 20 5 DHBDRO Cc1noc(C)c1C(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000285590707 131184051 /nfs/dbraw/zinc/18/40/51/131184051.db2.gz VYBBMDZWDSOVSO-VQHVLOKHSA-N 1 0 315.373 3.738 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCSC1)C1CC1 ZINC000286965287 131257960 /nfs/dbraw/zinc/25/79/60/131257960.db2.gz ICXCIENEJHVFEY-CZUORRHYSA-N 1 0 320.458 3.649 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCSC1 ZINC000287233001 131270168 /nfs/dbraw/zinc/27/01/68/131270168.db2.gz YIWIZXBKGHGYAJ-KGLIPLIRSA-N 1 0 308.447 3.649 20 5 DHBDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000291809991 131601499 /nfs/dbraw/zinc/60/14/99/131601499.db2.gz YBLPPMAQMPKQTJ-UHFFFAOYSA-N 1 0 300.358 3.628 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000570761354 332812040 /nfs/dbraw/zinc/81/20/40/332812040.db2.gz YBVREOVKBZNJLS-UHFFFAOYSA-N 1 0 318.323 3.909 20 5 DHBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173413249 332829874 /nfs/dbraw/zinc/82/98/74/332829874.db2.gz BPLIRVSYJAZFHL-DYVFJYSZSA-N 1 0 300.358 3.633 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3c2cccc3F)cc1 ZINC000317166495 331466418 /nfs/dbraw/zinc/46/64/18/331466418.db2.gz SPLUEMNBVNEPOH-KRWDZBQOSA-N 1 0 300.333 3.554 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)cs1 ZINC000556883751 331748198 /nfs/dbraw/zinc/74/81/98/331748198.db2.gz YDOGVMTXNHNRNA-HNNXBMFYSA-N 1 0 302.399 3.940 20 5 DHBDRO CC[C@H](C)[NH2+][C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000557690770 331808842 /nfs/dbraw/zinc/80/88/42/331808842.db2.gz ASSJAXQEYXSSFC-XHDPSFHLSA-N 1 0 321.352 3.868 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000584224130 331875677 /nfs/dbraw/zinc/87/56/77/331875677.db2.gz IOXMFGUDXJYYJY-UHFFFAOYSA-N 1 0 315.398 3.778 20 5 DHBDRO Cc1cnc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449174041 331921506 /nfs/dbraw/zinc/92/15/06/331921506.db2.gz GZKMDQQQBVERNH-PWSUYJOCSA-N 1 0 305.403 3.642 20 5 DHBDRO COCC1(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCC1 ZINC000559322918 332025617 /nfs/dbraw/zinc/02/56/17/332025617.db2.gz BIFDMHGKVULJSW-PTNGSMBKSA-N 1 0 318.417 3.795 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1ccccc1C ZINC000559326417 332026987 /nfs/dbraw/zinc/02/69/87/332026987.db2.gz LKONAIOHWNWPFV-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO CCOCCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000569378488 332070490 /nfs/dbraw/zinc/07/04/90/332070490.db2.gz SPIFRXXJVOEZCG-MRXNPFEDSA-N 1 0 318.417 3.769 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000448020064 332178662 /nfs/dbraw/zinc/17/86/62/332178662.db2.gz AGAUUPGHIUGBEN-YCPHGPKFSA-N 1 0 320.458 3.649 20 5 DHBDRO Cc1ccc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000363673490 332216401 /nfs/dbraw/zinc/21/64/01/332216401.db2.gz PTRVXJDITWNGHA-UHFFFAOYSA-N 1 0 311.385 3.678 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000560582863 332364894 /nfs/dbraw/zinc/36/48/94/332364894.db2.gz KIPJSLYZHICJLD-JTQLQIEISA-N 1 0 302.296 3.896 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000560582864 332364926 /nfs/dbraw/zinc/36/49/26/332364926.db2.gz KIPJSLYZHICJLD-SNVBAGLBSA-N 1 0 302.296 3.896 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccccc1F ZINC000566476506 332443004 /nfs/dbraw/zinc/44/30/04/332443004.db2.gz YYKFSZYBCYOTAM-MRXNPFEDSA-N 1 0 300.333 3.554 20 5 DHBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000525695597 332619034 /nfs/dbraw/zinc/61/90/34/332619034.db2.gz WCAJJPPOJABCCH-MRXNPFEDSA-N 1 0 320.776 3.726 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000178110004 333001784 /nfs/dbraw/zinc/00/17/84/333001784.db2.gz UIWSLHYKBLEYKR-CZUORRHYSA-N 1 0 312.369 3.558 20 5 DHBDRO C[C@@H]([NH2+]CCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000182390795 333040083 /nfs/dbraw/zinc/04/00/83/333040083.db2.gz AUXSUPRVCAGIPL-OAHLLOKOSA-N 1 0 314.385 3.852 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000318628582 333196159 /nfs/dbraw/zinc/19/61/59/333196159.db2.gz UPMKXJQVQMCDSC-ARFHVFGLSA-N 1 0 306.406 3.839 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000318628583 333196168 /nfs/dbraw/zinc/19/61/68/333196168.db2.gz UPMKXJQVQMCDSC-BZUAXINKSA-N 1 0 306.406 3.839 20 5 DHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000445893151 333231900 /nfs/dbraw/zinc/23/19/00/333231900.db2.gz HXRJSOZGIOSOJT-LLVKDONJSA-N 1 0 320.311 3.540 20 5 DHBDRO COCC(C)(C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000319262307 333278863 /nfs/dbraw/zinc/27/88/63/333278863.db2.gz BQBQHYLAXBUTIZ-UHFFFAOYSA-N 1 0 303.362 3.536 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000365003393 333334310 /nfs/dbraw/zinc/33/43/10/333334310.db2.gz WOJOZSPICIMQSZ-KRWDZBQOSA-N 1 0 311.385 3.889 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000521425840 333380963 /nfs/dbraw/zinc/38/09/63/333380963.db2.gz NMBUCXKUCJEPDT-GOSISDBHSA-N 1 0 314.360 3.941 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000526063207 333390308 /nfs/dbraw/zinc/39/03/08/333390308.db2.gz QDAXVEIQMDNKKN-SOVRZDNNSA-N 1 0 306.431 3.824 20 5 DHBDRO CCC[C@@H]([NH2+]CCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000320776513 335139571 /nfs/dbraw/zinc/13/95/71/335139571.db2.gz ZENFDMXOKCHBQI-QGZVFWFLSA-N 1 0 306.406 3.842 20 5 DHBDRO Cc1ccc([C@H](C)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000320217702 333455371 /nfs/dbraw/zinc/45/53/71/333455371.db2.gz UVGQSSZDQTZUTL-INIZCTEOSA-N 1 0 319.449 3.676 20 5 DHBDRO CCc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000531612393 333537925 /nfs/dbraw/zinc/53/79/25/333537925.db2.gz OQFZCDUARKAIAR-UHFFFAOYSA-N 1 0 302.374 3.863 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC(C1CC1)C1CC1)C1CC1 ZINC000531733085 333551270 /nfs/dbraw/zinc/55/12/70/333551270.db2.gz FBZRLKMZNGXLKH-GOSISDBHSA-N 1 0 314.429 3.942 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418909 333602965 /nfs/dbraw/zinc/60/29/65/333602965.db2.gz RIVSGLDEUQRGKY-SJKOYZFVSA-N 1 0 312.369 3.509 20 5 DHBDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411943306 333714760 /nfs/dbraw/zinc/71/47/60/333714760.db2.gz IUMZJIIJGULSOE-ZUZCIYMTSA-N 1 0 312.797 3.541 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000411963922 333717279 /nfs/dbraw/zinc/71/72/79/333717279.db2.gz CRLUZZRGHVPHDF-BMIGLBTASA-N 1 0 312.797 3.541 20 5 DHBDRO C/C(=C/c1nc([C@H]([NH3+])CC(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000414624471 334045554 /nfs/dbraw/zinc/04/55/54/334045554.db2.gz VNRILOMPIUBMRQ-RBJHHQRMSA-N 1 0 316.361 3.584 20 5 DHBDRO C[C@@H](c1cccc(O)c1)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276365622 334075976 /nfs/dbraw/zinc/07/59/76/334075976.db2.gz ZXHLNSUKVKYZLY-NSHDSACASA-N 1 0 304.321 3.633 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278983284 334104655 /nfs/dbraw/zinc/10/46/55/334104655.db2.gz DEPWSGPJMPYMLZ-LRDDRELGSA-N 1 0 318.417 3.864 20 5 DHBDRO C[C@@H]([NH3+])c1ccc(CNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000414811193 334105849 /nfs/dbraw/zinc/10/58/49/334105849.db2.gz PDHTWTWBYWAONH-LLVKDONJSA-N 1 0 319.792 3.558 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000290222969 334171823 /nfs/dbraw/zinc/17/18/23/334171823.db2.gz IDODAXBMBMFBIS-DEYYWGMASA-N 1 0 314.385 3.676 20 5 DHBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414920216 334180419 /nfs/dbraw/zinc/18/04/19/334180419.db2.gz XEXICLFIAWOLNV-GINYUPMKSA-N 1 0 323.396 3.857 20 5 DHBDRO C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000388773364 334270012 /nfs/dbraw/zinc/27/00/12/334270012.db2.gz GFWUWAVVRHWXPO-GXSJLCMTSA-N 1 0 317.311 3.508 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187858305 334287864 /nfs/dbraw/zinc/28/78/64/334287864.db2.gz HOOMGJVBUYTCNC-TZMCWYRMSA-N 1 0 322.405 3.602 20 5 DHBDRO COC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417342227 334705664 /nfs/dbraw/zinc/70/56/64/334705664.db2.gz MGDOYCLPTBRINF-INIZCTEOSA-N 1 0 304.390 3.521 20 5 DHBDRO CC(C)(CO)CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318241 334707960 /nfs/dbraw/zinc/70/79/60/334707960.db2.gz YJCMEULDFCPQEN-KRWDZBQOSA-N 1 0 320.433 3.751 20 5 DHBDRO CCc1nc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000343911081 335201575 /nfs/dbraw/zinc/20/15/75/335201575.db2.gz AHAAUCDLYYWWSX-LLVKDONJSA-N 1 0 319.430 3.815 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000344111010 335224149 /nfs/dbraw/zinc/22/41/49/335224149.db2.gz TXXOALZGRSINJF-IXDOHACOSA-N 1 0 318.417 3.983 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(C)cs1 ZINC000344853145 335280075 /nfs/dbraw/zinc/28/00/75/335280075.db2.gz CGKRBLXTZANMEV-IZZDOVSWSA-N 1 0 303.387 3.553 20 5 DHBDRO CC[C@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000345519552 335334324 /nfs/dbraw/zinc/33/43/24/335334324.db2.gz PSABWPZMJRHMMZ-STQMWFEESA-N 1 0 320.311 3.603 20 5 DHBDRO Cc1nc(C)c(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)o1 ZINC000323942304 335705445 /nfs/dbraw/zinc/70/54/45/335705445.db2.gz KIYZELUXZJVATD-UHFFFAOYSA-N 1 0 312.329 3.668 20 5 DHBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113338096 335706169 /nfs/dbraw/zinc/70/61/69/335706169.db2.gz JWDWBFDMYIRLQF-XHDPSFHLSA-N 1 0 317.414 3.997 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000192466082 336034917 /nfs/dbraw/zinc/03/49/17/336034917.db2.gz WRYZQVQFKPTPHW-NEPJUHHUSA-N 1 0 314.341 3.735 20 5 DHBDRO CO[C@](C)(CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000324056768 336046596 /nfs/dbraw/zinc/04/65/96/336046596.db2.gz ZIHVELVASNJDPT-QGZVFWFLSA-N 1 0 315.373 3.678 20 5 DHBDRO Cc1ccc(C)n1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000332454567 336172078 /nfs/dbraw/zinc/17/20/78/336172078.db2.gz NXWMYEIXRKEVIH-UHFFFAOYSA-N 1 0 313.401 3.850 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1F)CCC2 ZINC000192597942 336178390 /nfs/dbraw/zinc/17/83/90/336178390.db2.gz VYQHLUVAMLCDIC-KRWDZBQOSA-N 1 0 300.333 3.901 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000351971771 336184223 /nfs/dbraw/zinc/18/42/23/336184223.db2.gz WELYZFKSOQRYLX-NVXWUHKLSA-N 1 0 317.433 3.524 20 5 DHBDRO C[C@@H]([N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000532489316 336250394 /nfs/dbraw/zinc/25/03/94/336250394.db2.gz AAOIAHLKBGQESG-LLVKDONJSA-N 1 0 318.377 3.511 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)N1CCC(C)CC1 ZINC000532492296 336250498 /nfs/dbraw/zinc/25/04/98/336250498.db2.gz LSMXOJFWMVQYSV-JKSUJKDBSA-N 1 0 319.449 3.674 20 5 DHBDRO C[C@@H](C1CC1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104677108 336263586 /nfs/dbraw/zinc/26/35/86/336263586.db2.gz FTSUDMQZGUITHU-LBPRGKRZSA-N 1 0 315.373 3.523 20 5 DHBDRO COC(C)(C)C[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192904300 336283304 /nfs/dbraw/zinc/28/33/04/336283304.db2.gz MUWRYRZCMNMSQM-WBMJQRKESA-N 1 0 306.406 3.765 20 5 DHBDRO O=[N+]([O-])c1ccccc1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000301057468 336287701 /nfs/dbraw/zinc/28/77/01/336287701.db2.gz BGAAXKTYMVAKEU-QGZVFWFLSA-N 1 0 311.385 3.844 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000301214088 336295258 /nfs/dbraw/zinc/29/52/58/336295258.db2.gz YVGUXIRASBJDJO-CQSZACIVSA-N 1 0 323.824 3.703 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000301474523 336309170 /nfs/dbraw/zinc/30/91/70/336309170.db2.gz MWTHVMXZMQNRHY-UHFFFAOYSA-N 1 0 303.406 3.804 20 5 DHBDRO CC1(C)CC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC(C)(C)[NH2+]1 ZINC000301768508 336328469 /nfs/dbraw/zinc/32/84/69/336328469.db2.gz DVVNGGXRABFOSN-UHFFFAOYSA-N 1 0 313.348 3.594 20 5 DHBDRO Cc1ccc(NCc2ccc(C[NH+](C)C)c(F)c2)c([N+](=O)[O-])c1 ZINC000301857090 336334539 /nfs/dbraw/zinc/33/45/39/336334539.db2.gz DGJXNXYVCZFSIH-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO CCOc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000301922223 336338113 /nfs/dbraw/zinc/33/81/13/336338113.db2.gz GFJBTPSJCLSVCM-UHFFFAOYSA-N 1 0 321.421 3.715 20 5 DHBDRO C[NH+](C)[C@H](CNc1sccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301940191 336339024 /nfs/dbraw/zinc/33/90/24/336339024.db2.gz UHUPKCXLPAJVPQ-CYBMUJFWSA-N 1 0 309.366 3.510 20 5 DHBDRO CCC[N@@H+]1CC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2Cl)C1 ZINC000301973883 336340726 /nfs/dbraw/zinc/34/07/26/336340726.db2.gz BCGQZJLMCHTFOR-GFCCVEGCSA-N 1 0 311.813 3.700 20 5 DHBDRO O=[N+]([O-])c1ccsc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000301982331 336341182 /nfs/dbraw/zinc/34/11/82/336341182.db2.gz HPSISMVGUAILMP-OAHLLOKOSA-N 1 0 317.414 3.905 20 5 DHBDRO Cc1cc(NC[C@H]2CCC(C)(C)O2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302378985 336357840 /nfs/dbraw/zinc/35/78/40/336357840.db2.gz GGHQYBKFGHJWLY-CYBMUJFWSA-N 1 0 315.373 3.821 20 5 DHBDRO Cc1cc(N2CCSC[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302707332 336365882 /nfs/dbraw/zinc/36/58/82/336365882.db2.gz HEUKVGMXMKSNJA-LLVKDONJSA-N 1 0 317.414 3.641 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(C(F)(F)F)CC1 ZINC000353032945 336383952 /nfs/dbraw/zinc/38/39/52/336383952.db2.gz HZZYLEJRXJACEJ-HYXAFXHYSA-N 1 0 300.280 3.540 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(C(F)(F)F)CC1 ZINC000353032944 336383992 /nfs/dbraw/zinc/38/39/92/336383992.db2.gz HZZYLEJRXJACEJ-HWKANZROSA-N 1 0 300.280 3.540 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C(F)(F)F)CC2)c(Cl)c1 ZINC000353048056 336391630 /nfs/dbraw/zinc/39/16/30/336391630.db2.gz OWQAGJZBYHVXGU-UHFFFAOYSA-N 1 0 308.687 3.680 20 5 DHBDRO CC[C@H](NCC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000357844578 336601260 /nfs/dbraw/zinc/60/12/60/336601260.db2.gz FZJWBYXXHKGRAV-KRWDZBQOSA-N 1 0 319.449 3.758 20 5 DHBDRO CC[C@H]([NH2+][C@H](CO)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000359043543 336654955 /nfs/dbraw/zinc/65/49/55/336654955.db2.gz DMFDNPAGQPMERY-HOCLYGCPSA-N 1 0 308.422 3.823 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000360932863 336728127 /nfs/dbraw/zinc/72/81/27/336728127.db2.gz HDFJJLSGAGZDBJ-XKQJLSEDSA-N 1 0 306.406 3.983 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000368034166 336836275 /nfs/dbraw/zinc/83/62/75/336836275.db2.gz DWAHRPIBVDFPKU-CYBMUJFWSA-N 1 0 314.389 3.567 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(-c3ccncc3)cc2)c1 ZINC000371763300 336912477 /nfs/dbraw/zinc/91/24/77/336912477.db2.gz XGSMUVXMFXJWGV-UHFFFAOYSA-N 1 0 319.364 3.947 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000375343925 337008511 /nfs/dbraw/zinc/00/85/11/337008511.db2.gz AMNUFGBGFSHXBZ-MEDUHNTESA-N 1 0 316.332 3.908 20 5 DHBDRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375395219 337010307 /nfs/dbraw/zinc/01/03/07/337010307.db2.gz XBRYYSORHFZSSK-WBVHZDCISA-N 1 0 314.389 3.580 20 5 DHBDRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375395215 337010350 /nfs/dbraw/zinc/01/03/50/337010350.db2.gz XBRYYSORHFZSSK-DOTOQJQBSA-N 1 0 314.389 3.580 20 5 DHBDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000376389885 337032442 /nfs/dbraw/zinc/03/24/42/337032442.db2.gz YKZFMFOGKPUCRN-HUUCEWRRSA-N 1 0 306.406 3.713 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CC(C(F)(F)F)C1 ZINC000582628406 337116187 /nfs/dbraw/zinc/11/61/87/337116187.db2.gz VPKYYGLWFKKZAY-HWKANZROSA-N 1 0 300.280 3.539 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000173348901 337134808 /nfs/dbraw/zinc/13/48/08/337134808.db2.gz MJMGNSMJBOYZCZ-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000185602437 337249671 /nfs/dbraw/zinc/24/96/71/337249671.db2.gz XDBXXHGKPMTHLL-XJKSGUPXSA-N 1 0 312.369 3.558 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000185602420 337249673 /nfs/dbraw/zinc/24/96/73/337249673.db2.gz XDBXXHGKPMTHLL-CJNGLKHVSA-N 1 0 312.369 3.558 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186705807 337258931 /nfs/dbraw/zinc/25/89/31/337258931.db2.gz JOUOSQBQAJLPGC-AUUYWEPGSA-N 1 0 324.380 3.787 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000188872937 337275949 /nfs/dbraw/zinc/27/59/49/337275949.db2.gz YCHNBTCJWFVTNS-QGZVFWFLSA-N 1 0 312.369 3.825 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc1[N+](=O)[O-] ZINC000191655469 337298345 /nfs/dbraw/zinc/29/83/45/337298345.db2.gz SGIJXIBWRWVAMB-INIZCTEOSA-N 1 0 312.369 3.776 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COc2ccccc21 ZINC000572200853 337596585 /nfs/dbraw/zinc/59/65/85/337596585.db2.gz IUEDVBABYSBXOY-IDJPSDCMSA-N 1 0 324.380 3.764 20 5 DHBDRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000421853306 337650118 /nfs/dbraw/zinc/65/01/18/337650118.db2.gz IWUSPVDCXSFHDM-KYJSFNMBSA-N 1 0 318.417 3.910 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000421873519 337657588 /nfs/dbraw/zinc/65/75/88/337657588.db2.gz HQWLANLBDSYREK-GXTWGEPZSA-N 1 0 306.431 3.779 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000396988619 337736866 /nfs/dbraw/zinc/73/68/66/337736866.db2.gz NRCXPZXXYLXJHY-QMMMGPOBSA-N 1 0 310.703 3.926 20 5 DHBDRO C[C@H]([NH2+]CCCOC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000122145724 337908509 /nfs/dbraw/zinc/90/85/09/337908509.db2.gz VGUYXHXUSLCEHD-AWEZNQCLSA-N 1 0 306.406 3.985 20 5 DHBDRO COc1ccc(C2([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000537420008 337937487 /nfs/dbraw/zinc/93/74/87/337937487.db2.gz IUARNSRHBTYEAF-CYBMUJFWSA-N 1 0 312.369 3.943 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000426389400 338030161 /nfs/dbraw/zinc/03/01/61/338030161.db2.gz FDFXPWIBAVPHFZ-ZVHGMHCTSA-N 1 0 306.431 3.826 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426456835 338032664 /nfs/dbraw/zinc/03/26/64/338032664.db2.gz FISJWOTWGLFNIG-XJKSGUPXSA-N 1 0 304.390 3.756 20 5 DHBDRO Cc1cccc(OCC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429260691 338075332 /nfs/dbraw/zinc/07/53/32/338075332.db2.gz XUKPJWMJAZEVLO-UHFFFAOYSA-N 1 0 314.385 3.807 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CC12CCCC2)C1CC1 ZINC000429422583 338080411 /nfs/dbraw/zinc/08/04/11/338080411.db2.gz HNDGNOZBWZQNHR-NVXWUHKLSA-N 1 0 300.402 3.838 20 5 DHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000429678618 338087071 /nfs/dbraw/zinc/08/70/71/338087071.db2.gz GBBJSISCRJUZEY-GDBMZVCRSA-N 1 0 324.446 3.757 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000430219406 338101935 /nfs/dbraw/zinc/10/19/35/338101935.db2.gz NSXFLEHQZXNSHC-QGZVFWFLSA-N 1 0 312.369 3.941 20 5 DHBDRO CC(C)(C)OC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000432254011 338151280 /nfs/dbraw/zinc/15/12/80/338151280.db2.gz MLLGVYRDCQMTSY-UHFFFAOYSA-N 1 0 306.406 3.668 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(SCC[N@@H+](C)Cc2ccccc2)n1 ZINC000432915967 338172987 /nfs/dbraw/zinc/17/29/87/338172987.db2.gz IHYQXKJVAULKLK-UHFFFAOYSA-N 1 0 317.414 3.522 20 5 DHBDRO CCOC(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433091570 338181317 /nfs/dbraw/zinc/18/13/17/338181317.db2.gz OPJMWXJGUFRKJH-HNNXBMFYSA-N 1 0 306.406 3.722 20 5 DHBDRO CCOC(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433091571 338181341 /nfs/dbraw/zinc/18/13/41/338181341.db2.gz OPJMWXJGUFRKJH-OAHLLOKOSA-N 1 0 306.406 3.722 20 5 DHBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433117409 338182186 /nfs/dbraw/zinc/18/21/86/338182186.db2.gz NJJKLHIPCCZPBG-BJOOFOGMSA-N 1 0 320.433 3.704 20 5 DHBDRO CC[N@H+](CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000433160456 338183487 /nfs/dbraw/zinc/18/34/87/338183487.db2.gz ONYMCWNCHHJHSQ-KRWDZBQOSA-N 1 0 319.449 3.637 20 5 DHBDRO CCC(CC)C[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000434682829 338223307 /nfs/dbraw/zinc/22/33/07/338223307.db2.gz BEORDTKWTALULJ-UHFFFAOYSA-N 1 0 321.421 3.600 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCSC(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000434692204 338223768 /nfs/dbraw/zinc/22/37/68/338223768.db2.gz WPPGXDAJUYUMNS-UHFFFAOYSA-N 1 0 324.446 3.711 20 5 DHBDRO CC1(C)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000434709897 338223851 /nfs/dbraw/zinc/22/38/51/338223851.db2.gz HQJFUEWKQFASFH-UHFFFAOYSA-N 1 0 324.446 3.581 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c1 ZINC000435751553 338247998 /nfs/dbraw/zinc/24/79/98/338247998.db2.gz SOLZRBYAKIRRSU-SAZUREKKSA-N 1 0 318.323 3.909 20 5 DHBDRO CC1(C)CCC[C@@](O)(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000438371342 338341874 /nfs/dbraw/zinc/34/18/74/338341874.db2.gz AQEWXXYDPPZICM-MOTZXUDYSA-N 1 0 318.417 3.529 20 5 DHBDRO CC(C)COCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447515863 338553391 /nfs/dbraw/zinc/55/33/91/338553391.db2.gz LWEDGPMMMAPNDI-QGZVFWFLSA-N 1 0 306.406 3.625 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC000447597970 338560981 /nfs/dbraw/zinc/56/09/81/338560981.db2.gz GKVNLAKBFRMADV-ZBFHGGJFSA-N 1 0 317.433 3.571 20 5 DHBDRO C[C@H](CC(F)(F)F)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447599333 338561135 /nfs/dbraw/zinc/56/11/35/338561135.db2.gz JNUUHRSRBSAZBG-RNCFNFMXSA-N 1 0 302.296 3.903 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000447598655 338561174 /nfs/dbraw/zinc/56/11/74/338561174.db2.gz IMCUFWSIOWHGAY-CVEARBPZSA-N 1 0 318.417 3.908 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(c2ccccc2)CC1 ZINC000449078186 338591173 /nfs/dbraw/zinc/59/11/73/338591173.db2.gz XCZDOSMGKJPUFW-HNNXBMFYSA-N 1 0 310.397 3.847 20 5 DHBDRO COC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449136902 338596195 /nfs/dbraw/zinc/59/61/95/338596195.db2.gz CUUJDMCPJDQHAD-RHSMWYFYSA-N 1 0 314.385 3.503 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000449159714 338597983 /nfs/dbraw/zinc/59/79/83/338597983.db2.gz IJXCTCHXXNLZEF-YPMHNXCESA-N 1 0 305.403 3.723 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000449169340 338598820 /nfs/dbraw/zinc/59/88/20/338598820.db2.gz GMUMBRLMSVSTSK-MRXNPFEDSA-N 1 0 318.417 3.609 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000449363219 338617732 /nfs/dbraw/zinc/61/77/32/338617732.db2.gz LVCDLFFLVOUTRU-CQSZACIVSA-N 1 0 314.410 3.882 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449476048 338628718 /nfs/dbraw/zinc/62/87/18/338628718.db2.gz MFRCSPSUSLGLCN-BYPUDFOVSA-N 1 0 316.401 3.547 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000451105893 338721248 /nfs/dbraw/zinc/72/12/48/338721248.db2.gz WPOKFIKXFZRSFY-KBXCAEBGSA-N 1 0 314.385 3.503 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2=CCOCC2)c2ccccc2)c1 ZINC000453286360 338818910 /nfs/dbraw/zinc/81/89/10/338818910.db2.gz KCQBLTGOPMWBIF-LJQANCHMSA-N 1 0 324.380 3.621 20 5 DHBDRO CC[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453307926 338822004 /nfs/dbraw/zinc/82/20/04/338822004.db2.gz CMFRWKLAJJDPSC-YOEHRIQHSA-N 1 0 318.417 3.985 20 5 DHBDRO CO[C@](C)(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000453313157 338823004 /nfs/dbraw/zinc/82/30/04/338823004.db2.gz DRNCFWVLDXIFKN-KBXCAEBGSA-N 1 0 314.385 3.807 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453422590 338841185 /nfs/dbraw/zinc/84/11/85/338841185.db2.gz MUXLJIHMRDYSOX-LSDHHAIUSA-N 1 0 320.433 3.711 20 5 DHBDRO Cc1cc(SCC[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461963045 339069904 /nfs/dbraw/zinc/06/99/04/339069904.db2.gz YILCFPCBYKTXLM-UHFFFAOYSA-N 1 0 308.325 3.576 20 5 DHBDRO COc1cc(C[N@H+](C)C[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1F ZINC000464501412 339143771 /nfs/dbraw/zinc/14/37/71/339143771.db2.gz VLYRBAIHLJZPMY-GFCCVEGCSA-N 1 0 308.353 3.531 20 5 DHBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])cc1F ZINC000464686501 339148730 /nfs/dbraw/zinc/14/87/30/339148730.db2.gz CNOROBLHXKUWJY-CQSZACIVSA-N 1 0 310.369 3.753 20 5 DHBDRO CC[C@@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCCO1 ZINC000467562023 339242947 /nfs/dbraw/zinc/24/29/47/339242947.db2.gz IQUDMJOZCVJNQM-OAHLLOKOSA-N 1 0 306.406 3.719 20 5 DHBDRO C[C@@H](N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467834822 339247185 /nfs/dbraw/zinc/24/71/85/339247185.db2.gz MSHSWVVQQGYMDC-XUWVNRHRSA-N 1 0 319.449 3.612 20 5 DHBDRO C[C@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000467857776 339247783 /nfs/dbraw/zinc/24/77/83/339247783.db2.gz BSDSPJYRFKJDKU-ZNMIVQPWSA-N 1 0 305.422 3.508 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)Oc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000467862621 339247934 /nfs/dbraw/zinc/24/79/34/339247934.db2.gz IMYGWUYODDCMDA-QWHCGFSZSA-N 1 0 318.348 3.852 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000467997387 339250731 /nfs/dbraw/zinc/25/07/31/339250731.db2.gz AYJBWULMUIDYCN-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO CC(C)[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467999683 339250902 /nfs/dbraw/zinc/25/09/02/339250902.db2.gz FEZJHHVVLKDWBM-SFHVURJKSA-N 1 0 312.413 3.994 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000468027505 339251388 /nfs/dbraw/zinc/25/13/88/339251388.db2.gz SPTGRKLPVXPTIQ-VHSXEESVSA-N 1 0 320.311 3.985 20 5 DHBDRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468044241 339252482 /nfs/dbraw/zinc/25/24/82/339252482.db2.gz FMMKPOOAPZNAPY-WDEREUQCSA-N 1 0 304.312 3.846 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000468615884 339267127 /nfs/dbraw/zinc/26/71/27/339267127.db2.gz TYUAMQRYRAKVPC-LRFDDAOPSA-N 1 0 304.390 3.545 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1Cc2ccccc2C1 ZINC000468623493 339267228 /nfs/dbraw/zinc/26/72/28/339267228.db2.gz YUHIWFGIFZTSCJ-ZROIWOOFSA-N 1 0 308.381 3.755 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)CCC(C)C ZINC000468627632 339267351 /nfs/dbraw/zinc/26/73/51/339267351.db2.gz GHLQTEDJEBMKLE-QWSHFYNQSA-N 1 0 320.433 3.775 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCSCC1 ZINC000468643066 339267781 /nfs/dbraw/zinc/26/77/81/339267781.db2.gz WNZRTQKQKHYAGW-LCYFTJDESA-N 1 0 306.431 3.731 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCCC(C)C ZINC000468644007 339267907 /nfs/dbraw/zinc/26/79/07/339267907.db2.gz WQHUYKNJKIUMDN-RVDMUPIBSA-N 1 0 306.406 3.650 20 5 DHBDRO CO[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000468735354 339269453 /nfs/dbraw/zinc/26/94/53/339269453.db2.gz SPXYFUNTNJTPIF-OVHOFWQVSA-N 1 0 306.406 3.649 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCSC(C)(C)C1 ZINC000470169665 339312565 /nfs/dbraw/zinc/31/25/65/339312565.db2.gz HFAJBZLBQVKBJA-UKTHLTGXSA-N 1 0 306.431 3.826 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000470206046 339314359 /nfs/dbraw/zinc/31/43/59/339314359.db2.gz HRFSDXGIHMGFGD-GDNBJRDFSA-N 1 0 316.401 3.501 20 5 DHBDRO CCOc1cc(NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000478053376 339507654 /nfs/dbraw/zinc/50/76/54/339507654.db2.gz KZDWQYLPCZTDBG-UHFFFAOYSA-N 1 0 321.421 3.527 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000479509999 339538633 /nfs/dbraw/zinc/53/86/33/339538633.db2.gz HQUCZGLLOFAECS-HIFRSBDPSA-N 1 0 308.422 3.741 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000480810415 339587977 /nfs/dbraw/zinc/58/79/77/339587977.db2.gz FZTQWIVVEFPYCC-UHFFFAOYSA-N 1 0 309.797 3.677 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CC([NH+]2CCCCC2)C1 ZINC000480847643 339588773 /nfs/dbraw/zinc/58/87/73/339588773.db2.gz WHLGKTFBNQXZQB-UHFFFAOYSA-N 1 0 323.824 3.985 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000483714167 339672380 /nfs/dbraw/zinc/67/23/80/339672380.db2.gz UHRYTAWEPVELCF-CJNGLKHVSA-N 1 0 306.406 3.759 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000488447773 339782993 /nfs/dbraw/zinc/78/29/93/339782993.db2.gz KNVTYPOZVQTPME-ZFWWWQNUSA-N 1 0 308.447 3.647 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000502596144 340108909 /nfs/dbraw/zinc/10/89/09/340108909.db2.gz OWLZMMAHOCRSRD-ZKYQVNSYSA-N 1 0 314.332 3.796 20 5 DHBDRO CC[C@@H]1C[C@@H](C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000503553054 340130305 /nfs/dbraw/zinc/13/03/05/340130305.db2.gz WSPYQWDQUWTCNU-XJKSGUPXSA-N 1 0 306.406 3.625 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000503909048 340136514 /nfs/dbraw/zinc/13/65/14/340136514.db2.gz IQQFUFJJNAUINT-ZKYQVNSYSA-N 1 0 314.332 3.714 20 5 DHBDRO CC(C)c1ccc(CN2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000505265829 340165164 /nfs/dbraw/zinc/16/51/64/340165164.db2.gz MUYDZMMZPVUWLD-UHFFFAOYSA-N 1 0 319.449 3.634 20 5 DHBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000506761582 340201121 /nfs/dbraw/zinc/20/11/21/340201121.db2.gz ZTBLTRAMQOCVQZ-XQRVVYSFSA-N 1 0 300.333 3.879 20 5 DHBDRO CCC[C@H](C)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000507022313 340205695 /nfs/dbraw/zinc/20/56/95/340205695.db2.gz NSIHWJGFYFJFFM-ZDUSSCGKSA-N 1 0 316.405 3.616 20 5 DHBDRO C[C@@H]([NH2+]CC1(C(F)(F)F)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000507246165 340215471 /nfs/dbraw/zinc/21/54/71/340215471.db2.gz HGVACDGYRLKVQN-SNVBAGLBSA-N 1 0 302.296 3.978 20 5 DHBDRO COc1c(C)cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000507592594 340225756 /nfs/dbraw/zinc/22/57/56/340225756.db2.gz WTMVJOYROWCHLT-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO CCC[C@H]([NH2+]CCC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000402391296 340230372 /nfs/dbraw/zinc/23/03/72/340230372.db2.gz UINALIMSADDVSR-YOEHRIQHSA-N 1 0 306.406 3.842 20 5 DHBDRO CC[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000509359857 340267209 /nfs/dbraw/zinc/26/72/09/340267209.db2.gz SZYOFLQNQIJWHS-SNVBAGLBSA-N 1 0 302.321 3.674 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512844225 340380488 /nfs/dbraw/zinc/38/04/88/340380488.db2.gz MCBXRHZWJBREKE-RYUDHWBXSA-N 1 0 314.332 3.525 20 5 DHBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(O)c1 ZINC000174620986 340393277 /nfs/dbraw/zinc/39/32/77/340393277.db2.gz CCFMIJQEXDBDNT-AWEZNQCLSA-N 1 0 314.385 3.926 20 5 DHBDRO C[C@H]([NH2+]CCc1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178661323 340451297 /nfs/dbraw/zinc/45/12/97/340451297.db2.gz PNPZPHOEVBIXAB-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000517459646 340470042 /nfs/dbraw/zinc/47/00/42/340470042.db2.gz VMBJQQDSYGAJPC-OAHLLOKOSA-N 1 0 319.449 3.676 20 5 DHBDRO C[C@@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000191672516 340557464 /nfs/dbraw/zinc/55/74/64/340557464.db2.gz WIWOVUUHGWPFRE-PDFOZTTASA-N 1 0 318.417 3.529 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000522015356 340562614 /nfs/dbraw/zinc/56/26/14/340562614.db2.gz XGAWACIQFKEUOA-ZUZCIYMTSA-N 1 0 315.373 3.580 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000237722962 340673445 /nfs/dbraw/zinc/67/34/45/340673445.db2.gz KTLLUPDQYZLYDG-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000315688251 340676428 /nfs/dbraw/zinc/67/64/28/340676428.db2.gz QVHNQQWZCUKGTM-JKSUJKDBSA-N 1 0 306.406 3.524 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000538412176 340822137 /nfs/dbraw/zinc/82/21/37/340822137.db2.gz JJBKAZYEXRIXOV-FHSNZYRGSA-N 1 0 312.369 3.638 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000126187904 340824336 /nfs/dbraw/zinc/82/43/36/340824336.db2.gz IEOFSTITETWKJG-CXAGYDPISA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000538708081 340838950 /nfs/dbraw/zinc/83/89/50/340838950.db2.gz MQSFRJVZLUKQNW-INIZCTEOSA-N 1 0 302.399 3.998 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000540160191 340918930 /nfs/dbraw/zinc/91/89/30/340918930.db2.gz LXDHPCAZUBOAKJ-RLFYNMQTSA-N 1 0 320.433 3.885 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000540162044 340919248 /nfs/dbraw/zinc/91/92/48/340919248.db2.gz CLTUAZWOSDEWDA-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCSCC(F)(F)F ZINC000540161900 340919252 /nfs/dbraw/zinc/91/92/52/340919252.db2.gz BACAVSMZUDOKTL-SNVBAGLBSA-N 1 0 322.352 3.849 20 5 DHBDRO Cc1ccc(OCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540174829 340920506 /nfs/dbraw/zinc/92/05/06/340920506.db2.gz AOPRQILEXYITAQ-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC000540607325 340938421 /nfs/dbraw/zinc/93/84/21/340938421.db2.gz NDHOUCAESDWMAF-GJZGRUSLSA-N 1 0 320.433 3.743 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000541555880 340974271 /nfs/dbraw/zinc/97/42/71/340974271.db2.gz PBOFLGCHLWRZFC-JTQLQIEISA-N 1 0 304.724 3.916 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC2(O)CCCCCC2)cccc1[N+](=O)[O-] ZINC000129825348 340986868 /nfs/dbraw/zinc/98/68/68/340986868.db2.gz FQZBBUOPJOUGTA-CQSZACIVSA-N 1 0 306.406 3.639 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1cscn1 ZINC000129995020 340992413 /nfs/dbraw/zinc/99/24/13/340992413.db2.gz PJZMZPWIFRFUEE-WFASDCNBSA-N 1 0 317.414 3.552 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCS1 ZINC000542496679 341010462 /nfs/dbraw/zinc/01/04/62/341010462.db2.gz BZAOEFZBKSSMFB-DZGCQCFKSA-N 1 0 308.447 3.791 20 5 DHBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCSC1 ZINC000130575276 341028759 /nfs/dbraw/zinc/02/87/59/341028759.db2.gz PPSRCNPFMZIHIX-AWEZNQCLSA-N 1 0 318.398 3.792 20 5 DHBDRO CCCC(O)(CCC)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543404889 341042592 /nfs/dbraw/zinc/04/25/92/341042592.db2.gz QWSSLMHZFTXMRL-UHFFFAOYSA-N 1 0 314.813 3.669 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000543416142 341043154 /nfs/dbraw/zinc/04/31/54/341043154.db2.gz JYCSOYSBIVAUIA-HZPDHXFCSA-N 1 0 319.449 3.818 20 5 DHBDRO C[N@H+](CCc1ccccc1O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544190749 341073916 /nfs/dbraw/zinc/07/39/16/341073916.db2.gz ZIQZAECJMLOLRN-UHFFFAOYSA-N 1 0 320.776 3.628 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)c1 ZINC000131480465 341091174 /nfs/dbraw/zinc/09/11/74/341091174.db2.gz FPGCZQBIBCFIRA-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO COCCC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000544707321 341091598 /nfs/dbraw/zinc/09/15/98/341091598.db2.gz OOZDTERBRDIRAT-UHFFFAOYSA-N 1 0 318.373 3.760 20 5 DHBDRO COC[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237167504 341208471 /nfs/dbraw/zinc/20/84/71/341208471.db2.gz OHEXNRZJXDVEDY-SNVBAGLBSA-N 1 0 324.764 3.633 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000548394776 341258602 /nfs/dbraw/zinc/25/86/02/341258602.db2.gz FNXJFXRLSSWUSB-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000548508510 341265010 /nfs/dbraw/zinc/26/50/10/341265010.db2.gz JIPODKRWNVFSGX-HSMVNMDESA-N 1 0 314.389 3.624 20 5 DHBDRO CC(C)([NH2+]Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000080347224 341273091 /nfs/dbraw/zinc/27/30/91/341273091.db2.gz DASWPNXKHBZEBR-UHFFFAOYSA-N 1 0 306.312 3.898 20 5 DHBDRO CCC(CC)(CC)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000081156384 341280277 /nfs/dbraw/zinc/28/02/77/341280277.db2.gz GANOIKXRZNMFAS-UHFFFAOYSA-N 1 0 321.421 3.790 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549227539 341289028 /nfs/dbraw/zinc/28/90/28/341289028.db2.gz BWWFYNSFTMGQEB-JVPBZIDWSA-N 1 0 310.397 3.919 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)F ZINC000551264427 341335941 /nfs/dbraw/zinc/33/59/41/341335941.db2.gz KOOIUGUQNBMJPM-RYUDHWBXSA-N 1 0 300.399 3.803 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000247240605 341362546 /nfs/dbraw/zinc/36/25/46/341362546.db2.gz XNVIZLKVCJLPFB-VHSSKADRSA-N 1 0 312.369 3.776 20 5 DHBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248564633 341380016 /nfs/dbraw/zinc/38/00/16/341380016.db2.gz OKWGBXASYPIDSM-XYPHTWIQSA-N 1 0 306.406 3.839 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]3CF)o2)c1 ZINC000552391944 341390920 /nfs/dbraw/zinc/39/09/20/341390920.db2.gz DKVBBGPJYKIBBR-CQSZACIVSA-N 1 0 304.321 3.789 20 5 DHBDRO CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000555743600 341489653 /nfs/dbraw/zinc/48/96/53/341489653.db2.gz GEEPGVHBBUVXIS-KGLIPLIRSA-N 1 0 308.426 3.691 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccccc1)C1CC1 ZINC000153024510 341519498 /nfs/dbraw/zinc/51/94/98/341519498.db2.gz BPRIWYVJHHZHAW-SFHVURJKSA-N 1 0 310.397 3.748 20 5 DHBDRO C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000305771342 341532580 /nfs/dbraw/zinc/53/25/80/341532580.db2.gz QPMYPYAMSPFYDS-YSVLISHTSA-N 1 0 306.406 3.577 20 5 DHBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000565746029 341536835 /nfs/dbraw/zinc/53/68/35/341536835.db2.gz QYRBJTYONBMRBQ-VXGBXAGGSA-N 1 0 320.414 3.836 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000566938792 341572244 /nfs/dbraw/zinc/57/22/44/341572244.db2.gz WEMDLRHYTUMWSZ-UONOGXRCSA-N 1 0 312.369 3.730 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000155257007 341605106 /nfs/dbraw/zinc/60/51/06/341605106.db2.gz CIBUGZWNQLXINI-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000155354304 341606731 /nfs/dbraw/zinc/60/67/31/341606731.db2.gz YHNNYBLOPAGSDI-CQSZACIVSA-N 1 0 308.422 3.743 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc3occc3c2)cc1 ZINC000576929854 341870306 /nfs/dbraw/zinc/87/03/06/341870306.db2.gz CXFVIHVPHFQKFK-UHFFFAOYSA-N 1 0 312.325 3.510 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000577197717 341896472 /nfs/dbraw/zinc/89/64/72/341896472.db2.gz POMBWGILHSCKBA-ZBFHGGJFSA-N 1 0 320.433 3.743 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000178729957 341963117 /nfs/dbraw/zinc/96/31/17/341963117.db2.gz LQKIGLFKWHUFCI-QGZVFWFLSA-N 1 0 312.369 3.689 20 5 DHBDRO CC(C)[NH+](CCNc1ccnc2c1cccc2[N+](=O)[O-])C(C)C ZINC000336870976 519648384 /nfs/dbraw/zinc/64/83/84/519648384.db2.gz KVLAXTRQYLNYBZ-UHFFFAOYSA-N 1 0 316.405 3.674 20 5 DHBDRO CC(C)COC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266526822 519751927 /nfs/dbraw/zinc/75/19/27/519751927.db2.gz KKWHMGDBLURMOI-CQSZACIVSA-N 1 0 306.406 3.793 20 5 DHBDRO CCCO[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000108392739 520286368 /nfs/dbraw/zinc/28/63/68/520286368.db2.gz WSAXBULWCCNWRB-ZDUSSCGKSA-N 1 0 310.369 3.515 20 5 DHBDRO CC[NH+](CC)CCCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112077623 520591148 /nfs/dbraw/zinc/59/11/48/520591148.db2.gz PITPFWFMLLQNPO-UHFFFAOYSA-N 1 0 316.405 3.677 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000154426394 520784158 /nfs/dbraw/zinc/78/41/58/520784158.db2.gz TUHVKMFVPLLPFR-QGZVFWFLSA-N 1 0 300.358 3.931 20 5 DHBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000266423506 521008967 /nfs/dbraw/zinc/00/89/67/521008967.db2.gz BDWVJCAIEYGZII-GFCCVEGCSA-N 1 0 318.348 3.983 20 5 DHBDRO CC[C@H]([NH2+]CCCO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000338279847 522587479 /nfs/dbraw/zinc/58/74/79/522587479.db2.gz GTXPCZAOWYTQKL-IRXDYDNUSA-N 1 0 322.405 3.569 20 5 DHBDRO CC[C@H]([NH2+][C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338016387 522746535 /nfs/dbraw/zinc/74/65/35/522746535.db2.gz KVQKGRGTQBWLLX-RDJZCZTQSA-N 1 0 306.406 3.577 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181546886 522871155 /nfs/dbraw/zinc/87/11/55/522871155.db2.gz CKGOHEVVMUPYSG-MRXNPFEDSA-N 1 0 318.348 3.983 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc2ccccc2c1 ZINC000338362005 522946635 /nfs/dbraw/zinc/94/66/35/522946635.db2.gz SFRANPOVOJJQGS-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000181236604 523476154 /nfs/dbraw/zinc/47/61/54/523476154.db2.gz JLSKSOIVOCHPIX-STQMWFEESA-N 1 0 302.378 3.531 20 5 DHBDRO COc1ccc(C[NH2+]Cc2coc3ccccc23)cc1[N+](=O)[O-] ZINC000339408304 524073193 /nfs/dbraw/zinc/07/31/93/524073193.db2.gz XXBUVFPSDXBFCI-UHFFFAOYSA-N 1 0 312.325 3.639 20 5 DHBDRO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155802301 524229882 /nfs/dbraw/zinc/22/98/82/524229882.db2.gz VNJBSFKQZNLYAX-SJKOYZFVSA-N 1 0 312.369 3.942 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(F)cc1 ZINC000266807667 525614919 /nfs/dbraw/zinc/61/49/19/525614919.db2.gz UKLQFBUDRZKHST-XWCIJXRUSA-N 1 0 318.348 3.507 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C)cc1[N+](=O)[O-] ZINC000154637874 525728114 /nfs/dbraw/zinc/72/81/14/525728114.db2.gz JPTFDDHGKGSTQY-CABCVRRESA-N 1 0 308.422 3.599 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCc3c2cccc3O)cccc1[N+](=O)[O-] ZINC000130439476 525924000 /nfs/dbraw/zinc/92/40/00/525924000.db2.gz VWJRJYPSRIMLME-LRDDRELGSA-N 1 0 312.369 3.947 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000157735491 525936575 /nfs/dbraw/zinc/93/65/75/525936575.db2.gz XHEDPXSBTVFYBD-MJEQTWJJSA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189152085 526078387 /nfs/dbraw/zinc/07/83/87/526078387.db2.gz RVQVIWIBXISFGC-GUYCJALGSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157469494 526083731 /nfs/dbraw/zinc/08/37/31/526083731.db2.gz ZJTSNOLPENJHFE-WBVHZDCISA-N 1 0 317.433 3.606 20 5 DHBDRO Cc1cnn(CCCCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180416628 526261490 /nfs/dbraw/zinc/26/14/90/526261490.db2.gz CYRAXZRSYUCNJP-HNNXBMFYSA-N 1 0 316.405 3.621 20 5 DHBDRO Cc1nc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000130493846 526828971 /nfs/dbraw/zinc/82/89/71/526828971.db2.gz XDXINPUIHZWUIM-LLVKDONJSA-N 1 0 305.403 3.561 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC4(CCC4)C3)nc2c1 ZINC000366339180 527381594 /nfs/dbraw/zinc/38/15/94/527381594.db2.gz ARKPUIDVSNFMBF-UHFFFAOYSA-N 1 0 301.346 3.502 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCCCO)s1 ZINC000192907701 527395278 /nfs/dbraw/zinc/39/52/78/527395278.db2.gz UBKCTUWACOWFIG-UHFFFAOYSA-N 1 0 320.414 3.576 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000271542511 535939309 /nfs/dbraw/zinc/93/93/09/535939309.db2.gz SVVCTRWSTANQJS-ZBFHGGJFSA-N 1 0 304.390 3.737 20 5 DHBDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000289333200 537021691 /nfs/dbraw/zinc/02/16/91/537021691.db2.gz VYSRUXJPLQUPDG-OAHLLOKOSA-N 1 0 316.332 3.520 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000356787612 1013499202 /nfs/dbraw/zinc/49/92/02/1013499202.db2.gz PDIPGRAFDKYUEP-KMFMINBZSA-N 1 0 306.406 3.841 20 5 DHBDRO CCCC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000754346223 1013888622 /nfs/dbraw/zinc/88/86/22/1013888622.db2.gz LRJZGUHVXDJFEQ-DLBZAZTESA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)nc2c1 ZINC000083213184 1014001237 /nfs/dbraw/zinc/00/12/37/1014001237.db2.gz AQNUDDXRQQGNAJ-RISCZKNCSA-N 1 0 301.346 3.501 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000319960198 1014303292 /nfs/dbraw/zinc/30/32/92/1014303292.db2.gz HEIBWRQENOMSPF-MSOLQXFVSA-N 1 0 319.449 3.756 20 5 DHBDRO O=[N+]([O-])c1cc(CNCc2ccc(C(F)(F)F)cc2)cs1 ZINC000060390855 1014462032 /nfs/dbraw/zinc/46/20/32/1014462032.db2.gz PMMBBBYIUFBKII-UHFFFAOYSA-N 1 0 316.304 3.965 20 5 DHBDRO Cc1ccc([C@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000320113494 1014587938 /nfs/dbraw/zinc/58/79/38/1014587938.db2.gz CMGOSGNWCYZIAQ-MAUKXSAKSA-N 1 0 319.449 3.674 20 5 DHBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001167457843 1014773147 /nfs/dbraw/zinc/77/31/47/1014773147.db2.gz LYIOMEUPFNRSAJ-YOEHRIQHSA-N 1 0 306.406 3.874 20 5 DHBDRO CC[NH+](CC)[C@@H](CNCc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000521818972 1014807574 /nfs/dbraw/zinc/80/75/74/1014807574.db2.gz JJNOMIGWKWEDKW-QGZVFWFLSA-N 1 0 321.465 3.749 20 5 DHBDRO CC(C)(C)C1CCC(O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000522063329 1014878285 /nfs/dbraw/zinc/87/82/85/1014878285.db2.gz SVAYNZBFZUEEDH-UHFFFAOYSA-N 1 0 320.433 3.652 20 5 DHBDRO C[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276240142 1014892336 /nfs/dbraw/zinc/89/23/36/1014892336.db2.gz UMPTYEFOZJGVDI-UTUOFQBUSA-N 1 0 316.361 3.579 20 5 DHBDRO Cc1cccnc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000276307231 1014931055 /nfs/dbraw/zinc/93/10/55/1014931055.db2.gz LGXQORKCKRLYRY-INIZCTEOSA-N 1 0 317.364 3.924 20 5 DHBDRO CCCCCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175455 1033581623 /nfs/dbraw/zinc/58/16/23/1033581623.db2.gz NQAYKCHQJGOXSH-GFCCVEGCSA-N 1 0 312.385 3.843 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188179 1033584380 /nfs/dbraw/zinc/58/43/80/1033584380.db2.gz CZNZDQTZAPZBDP-NWDGAFQWSA-N 1 0 310.369 3.548 20 5 DHBDRO CCCC[C@@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000581576851 1015008695 /nfs/dbraw/zinc/00/86/95/1015008695.db2.gz ADWWOAZBKTVSAY-GFCCVEGCSA-N 1 0 318.377 3.655 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](CC)C[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000361812534 1032108703 /nfs/dbraw/zinc/10/87/03/1032108703.db2.gz MLYLMKWFPOFQBO-QRTARXTBSA-N 1 0 308.422 3.823 20 5 DHBDRO C[N@H+](CCc1ccccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000519160279 1015070279 /nfs/dbraw/zinc/07/02/79/1015070279.db2.gz FHUVGFJTIQQWAG-UHFFFAOYSA-N 1 0 304.777 3.923 20 5 DHBDRO C[N@@H+](C/C=C\c1ccc(F)cc1)CCc1cccc([N+](=O)[O-])c1 ZINC000581837554 1015367195 /nfs/dbraw/zinc/36/71/95/1015367195.db2.gz YHKFFZJTSCUDMM-HYXAFXHYSA-N 1 0 314.360 3.922 20 5 DHBDRO CSc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000581853530 1015381400 /nfs/dbraw/zinc/38/14/00/1015381400.db2.gz IWSXGEMUFPKSTL-UHFFFAOYSA-N 1 0 324.427 3.547 20 5 DHBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000175986056 1015542812 /nfs/dbraw/zinc/54/28/12/1015542812.db2.gz VAJJJMZVVJWZCD-UHFFFAOYSA-N 1 0 300.358 3.628 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc2c1NCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000896510431 1015604385 /nfs/dbraw/zinc/60/43/85/1015604385.db2.gz OYCFOIWOSUBDFT-CYBMUJFWSA-N 1 0 311.385 3.804 20 5 DHBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581548 1015627678 /nfs/dbraw/zinc/62/76/78/1015627678.db2.gz SAZDPSXXUYQCOX-LBPRGKRZSA-N 1 0 303.362 3.747 20 5 DHBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000474925495 1015707508 /nfs/dbraw/zinc/70/75/08/1015707508.db2.gz WKZHGBINFKQJRH-SWLSCSKDSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@@H](C)C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000247741763 1015965123 /nfs/dbraw/zinc/96/51/23/1015965123.db2.gz XCSHBYUYNSVHJO-VXGBXAGGSA-N 1 0 318.377 3.684 20 5 DHBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000538736459 1016163237 /nfs/dbraw/zinc/16/32/37/1016163237.db2.gz GFMXRYXUGSWJCJ-CQSZACIVSA-N 1 0 322.405 3.767 20 5 DHBDRO CCCCC1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000934206273 1016237680 /nfs/dbraw/zinc/23/76/80/1016237680.db2.gz BOVFFEUKDBMLJU-UHFFFAOYSA-N 1 0 319.405 3.544 20 5 DHBDRO Cc1ccccc1OCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000539094144 1016241497 /nfs/dbraw/zinc/24/14/97/1016241497.db2.gz UGPAIOLVYMVZQN-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000119796962 1016352599 /nfs/dbraw/zinc/35/25/99/1016352599.db2.gz IIGPWFXWAATQNO-ZDUSSCGKSA-N 1 0 312.797 3.684 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC000539824693 1016401276 /nfs/dbraw/zinc/40/12/76/1016401276.db2.gz HLLOIXVNCIHRLV-UHFFFAOYSA-N 1 0 307.353 3.634 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000178548717 1016487237 /nfs/dbraw/zinc/48/72/37/1016487237.db2.gz PRMKSULJMQGTOU-ZIAGYGMSSA-N 1 0 314.385 3.807 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178552881 1016496001 /nfs/dbraw/zinc/49/60/01/1016496001.db2.gz PLCNNOUKTZQECX-UGSOOPFHSA-N 1 0 314.385 3.889 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346844908 1016601321 /nfs/dbraw/zinc/60/13/21/1016601321.db2.gz YVNKIFUYOPBIRA-COXVUDFISA-N 1 0 305.422 3.508 20 5 DHBDRO CO[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000072924806 1016995871 /nfs/dbraw/zinc/99/58/71/1016995871.db2.gz SKJNUOKOBGNURZ-KRWDZBQOSA-N 1 0 318.373 3.615 20 5 DHBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000235275181 1032387115 /nfs/dbraw/zinc/38/71/15/1032387115.db2.gz VGKWIMRSYFNFCO-NEPJUHHUSA-N 1 0 300.811 3.622 20 5 DHBDRO CC(C)C([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000773080463 1032551138 /nfs/dbraw/zinc/55/11/38/1032551138.db2.gz MDAGZOVLJRTMJO-UHFFFAOYSA-N 1 0 319.449 3.834 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424339152 1012003236 /nfs/dbraw/zinc/00/32/36/1012003236.db2.gz BISFGTISKATQOB-CRWXNKLISA-N 1 0 306.431 3.854 20 5 DHBDRO CO[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000072924805 1012023410 /nfs/dbraw/zinc/02/34/10/1012023410.db2.gz SKJNUOKOBGNURZ-QGZVFWFLSA-N 1 0 318.373 3.615 20 5 DHBDRO CO[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000513823552 1012205303 /nfs/dbraw/zinc/20/53/03/1012205303.db2.gz WMEBYKSLVQBCBL-QILLFSRXSA-N 1 0 320.433 3.567 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000064029718 1012263647 /nfs/dbraw/zinc/26/36/47/1012263647.db2.gz KLEQEUYWELICAB-GFCCVEGCSA-N 1 0 309.366 3.510 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000122667205 1032615615 /nfs/dbraw/zinc/61/56/15/1032615615.db2.gz GOOKYIQEFNPHEI-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000154130065 1012451947 /nfs/dbraw/zinc/45/19/47/1012451947.db2.gz FMJXNONNWSPFQI-WCQYABFASA-N 1 0 310.419 3.540 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000514947801 1012509886 /nfs/dbraw/zinc/50/98/86/1012509886.db2.gz KSEIAIUZRPCVRP-ZDUSSCGKSA-N 1 0 317.776 3.633 20 5 DHBDRO Cc1cnc([C@@H](C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000515072389 1012557185 /nfs/dbraw/zinc/55/71/85/1012557185.db2.gz JKFROHQMMMQAKG-HZMBPMFUSA-N 1 0 317.414 3.740 20 5 DHBDRO C[C@@H](c1ccccc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000515123776 1012563049 /nfs/dbraw/zinc/56/30/49/1012563049.db2.gz RCQQGCJAEMZLSV-AWEZNQCLSA-N 1 0 300.358 3.667 20 5 DHBDRO CCC[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349060853 1012604915 /nfs/dbraw/zinc/60/49/15/1012604915.db2.gz GOBFVRQFEWHGIK-UHFFFAOYSA-N 1 0 317.364 3.584 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CCO)CC(C)C)cc1[N+](=O)[O-] ZINC000154638149 1012867577 /nfs/dbraw/zinc/86/75/77/1012867577.db2.gz JPTFDDHGKGSTQY-LSDHHAIUSA-N 1 0 308.422 3.599 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCOC1CCCC1 ZINC000517173190 1012922903 /nfs/dbraw/zinc/92/29/03/1012922903.db2.gz RGLUOMVYZDGKFJ-MRXNPFEDSA-N 1 0 304.390 3.521 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000134739619 1012949903 /nfs/dbraw/zinc/94/99/03/1012949903.db2.gz COSYOLHEBYMCOA-CABCVRRESA-N 1 0 317.433 3.605 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000091373230 1017115986 /nfs/dbraw/zinc/11/59/86/1017115986.db2.gz GJDZHALBCDQSET-MRXNPFEDSA-N 1 0 318.398 3.776 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000124957452 1032686907 /nfs/dbraw/zinc/68/69/07/1032686907.db2.gz NDCTVGFQOSJLAY-DPAVQSFQSA-N 1 0 304.390 3.511 20 5 DHBDRO CCc1nc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000173373669 1032696504 /nfs/dbraw/zinc/69/65/04/1032696504.db2.gz IFOPRDIRXDQUHX-NSHDSACASA-N 1 0 305.403 3.507 20 5 DHBDRO Cc1ccc(C[NH2+]CCCc2ccccc2F)cc1[N+](=O)[O-] ZINC000475568094 1017440992 /nfs/dbraw/zinc/44/09/92/1017440992.db2.gz CYEUHXUQIUBKIS-UHFFFAOYSA-N 1 0 302.349 3.765 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000342830557 1017521184 /nfs/dbraw/zinc/52/11/84/1017521184.db2.gz WZAQZLJBLZGIIW-KRWDZBQOSA-N 1 0 324.384 3.755 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000166287420 1017576367 /nfs/dbraw/zinc/57/63/67/1017576367.db2.gz WBQOHFSAMUOIJR-YEWWUXTCSA-N 1 0 317.433 3.651 20 5 DHBDRO C[C@@H](C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444611104 1017592597 /nfs/dbraw/zinc/59/25/97/1017592597.db2.gz PWTLOIJOGJOVKI-ZDUSSCGKSA-N 1 0 324.384 3.707 20 5 DHBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCC[C@@H]1C ZINC000444673654 1017625863 /nfs/dbraw/zinc/62/58/63/1017625863.db2.gz IITMKKQMGSHJPO-BLLLJJGKSA-N 1 0 316.405 3.872 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000444697495 1017637514 /nfs/dbraw/zinc/63/75/14/1017637514.db2.gz KRDLEXTUEKNWCI-VIFPVBQESA-N 1 0 306.259 3.508 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178671784 1017638714 /nfs/dbraw/zinc/63/87/14/1017638714.db2.gz FGYVHIKDDAGTGX-QZTJIDSGSA-N 1 0 314.385 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]3c3ccccc3)nc2c1 ZINC000342964829 1017908390 /nfs/dbraw/zinc/90/83/90/1017908390.db2.gz ZPYWDUHHMIMUMX-KRWDZBQOSA-N 1 0 322.368 3.808 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000524426345 1017992582 /nfs/dbraw/zinc/99/25/82/1017992582.db2.gz HZAXJLQQKXIRBR-UHFFFAOYSA-N 1 0 314.360 3.941 20 5 DHBDRO C/C(=C/c1ccccc1)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000524687541 1018069794 /nfs/dbraw/zinc/06/97/94/1018069794.db2.gz SLNYUXBSJUPLRC-SQFISAMPSA-N 1 0 312.369 3.667 20 5 DHBDRO C[C@@H]1CC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000193065408 1018133590 /nfs/dbraw/zinc/13/35/90/1018133590.db2.gz WSKLLOWXUWFWNC-PSTGCABASA-N 1 0 304.390 3.518 20 5 DHBDRO CCO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000446833037 1018263386 /nfs/dbraw/zinc/26/33/86/1018263386.db2.gz FGETWWQHCTVJCF-QGZVFWFLSA-N 1 0 318.348 3.601 20 5 DHBDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000245646714 1018272392 /nfs/dbraw/zinc/27/23/92/1018272392.db2.gz CHYUKIOJFCCJJJ-HBUWYVDXSA-N 1 0 314.385 3.758 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cccc(F)c1)CCC2 ZINC000447507474 1018408060 /nfs/dbraw/zinc/40/80/60/1018408060.db2.gz HYRYGVSVBNAYRZ-GOSISDBHSA-N 1 0 314.360 3.944 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000447592496 1018431524 /nfs/dbraw/zinc/43/15/24/1018431524.db2.gz LWLNJYBTIWDXJY-AFAVFJNCSA-N 1 0 304.390 3.519 20 5 DHBDRO CCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447589383 1018432135 /nfs/dbraw/zinc/43/21/35/1018432135.db2.gz XSZKOSPFNATCTG-CABCVRRESA-N 1 0 320.437 3.835 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)n1 ZINC000926492865 1018458376 /nfs/dbraw/zinc/45/83/76/1018458376.db2.gz HLHVBEYILRMPEU-WFASDCNBSA-N 1 0 315.373 3.800 20 5 DHBDRO C[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000527106163 1018514565 /nfs/dbraw/zinc/51/45/65/1018514565.db2.gz XSGFPMOQYFEVRX-ZDUSSCGKSA-N 1 0 302.349 3.670 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)CSC(C)(C)C)cc1[N+](=O)[O-] ZINC000765421422 1018781830 /nfs/dbraw/zinc/78/18/30/1018781830.db2.gz RMMGOERYGVGWJR-LLVKDONJSA-N 1 0 312.435 3.613 20 5 DHBDRO C[C@H](COc1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000765440201 1018787093 /nfs/dbraw/zinc/78/70/93/1018787093.db2.gz RYLAQSDJRZMZHQ-KGLIPLIRSA-N 1 0 300.358 3.713 20 5 DHBDRO CS[C@H]1CCCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000708322060 1018839792 /nfs/dbraw/zinc/83/97/92/1018839792.db2.gz XNHXNVGQITWYGY-LBPRGKRZSA-N 1 0 314.838 3.966 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCC3)cc1[N+](=O)[O-] ZINC000921818801 1018902877 /nfs/dbraw/zinc/90/28/77/1018902877.db2.gz RDRSILUNKCVYGL-CYBMUJFWSA-N 1 0 312.369 3.689 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCNc3ccccc32)c1 ZINC000278668168 1019016241 /nfs/dbraw/zinc/01/62/41/1019016241.db2.gz JCNUGCGZHYEJRX-SFHVURJKSA-N 1 0 311.385 3.674 20 5 DHBDRO C[C@@H](O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000278706567 1019066892 /nfs/dbraw/zinc/06/68/92/1019066892.db2.gz RKCHVKNECXAOEC-GFCCVEGCSA-N 1 0 320.414 3.574 20 5 DHBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278715020 1019077913 /nfs/dbraw/zinc/07/79/13/1019077913.db2.gz LXQLLAWQLPCZSV-JLSDUUJJSA-N 1 0 318.417 3.765 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000255014056 1019234315 /nfs/dbraw/zinc/23/43/15/1019234315.db2.gz PPQONYVMGMBWJG-WRLNGNIRSA-N 1 0 316.401 3.689 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611350961 1019451649 /nfs/dbraw/zinc/45/16/49/1019451649.db2.gz VVZPWLPCPJVZGV-BZUAXINKSA-N 1 0 318.417 3.794 20 5 DHBDRO O=[N+]([O-])c1ccsc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000611411531 1019477840 /nfs/dbraw/zinc/47/78/40/1019477840.db2.gz LKMLONAQSLCXLL-UHFFFAOYSA-N 1 0 317.414 3.864 20 5 DHBDRO C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132234658 1019482031 /nfs/dbraw/zinc/48/20/31/1019482031.db2.gz AZVBCTCUYXKMII-KBXCAEBGSA-N 1 0 317.433 3.732 20 5 DHBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000611442804 1019487504 /nfs/dbraw/zinc/48/75/04/1019487504.db2.gz CYMAWLHKNKEQEN-ZDUSSCGKSA-N 1 0 324.384 3.604 20 5 DHBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750053919 1019583837 /nfs/dbraw/zinc/58/38/37/1019583837.db2.gz AGVIORIPGPXWSI-HZPDHXFCSA-N 1 0 306.406 3.529 20 5 DHBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCCCC1 ZINC000750059688 1019593555 /nfs/dbraw/zinc/59/35/55/1019593555.db2.gz YFJAJURSDUSMQT-KRWDZBQOSA-N 1 0 306.406 3.673 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CC[C@H]2CCCCO2)C2CC2)cc1 ZINC000347550788 1019621720 /nfs/dbraw/zinc/62/17/20/1019621720.db2.gz QNLQAIZYPVOHLF-QGZVFWFLSA-N 1 0 304.390 3.518 20 5 DHBDRO C[C@H](C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000727429302 1019713120 /nfs/dbraw/zinc/71/31/20/1019713120.db2.gz UWUKWTHECSROGY-CQSZACIVSA-N 1 0 324.384 3.638 20 5 DHBDRO CC[C@H]([NH2+]CCN1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000316041245 1019896225 /nfs/dbraw/zinc/89/62/25/1019896225.db2.gz GSEGMSRJTKBUMN-KRWDZBQOSA-N 1 0 305.422 3.512 20 5 DHBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000316791926 1019938275 /nfs/dbraw/zinc/93/82/75/1019938275.db2.gz NWIVUCTWTJBQJP-GXSJLCMTSA-N 1 0 317.311 3.508 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000730432215 1019987867 /nfs/dbraw/zinc/98/78/67/1019987867.db2.gz AEORMBHOQYQHEQ-GFCCVEGCSA-N 1 0 318.323 3.863 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000091859279 1020063694 /nfs/dbraw/zinc/06/36/94/1020063694.db2.gz OEWGCUUQDKKFJH-VXGBXAGGSA-N 1 0 317.414 3.949 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000922542315 1020122917 /nfs/dbraw/zinc/12/29/17/1020122917.db2.gz URRRKPDKTZNWNR-SNVBAGLBSA-N 1 0 307.300 3.778 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccccc1F ZINC000731670869 1020134076 /nfs/dbraw/zinc/13/40/76/1020134076.db2.gz DNWXPWULRWPSFZ-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000093324672 1020146675 /nfs/dbraw/zinc/14/66/75/1020146675.db2.gz YKCSATWOLSEIQT-AWEZNQCLSA-N 1 0 314.385 3.672 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1OC ZINC000922620720 1020164227 /nfs/dbraw/zinc/16/42/27/1020164227.db2.gz XARYCWVXEKPYQW-MRXNPFEDSA-N 1 0 318.348 3.983 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)(C)C ZINC000154908393 1020164620 /nfs/dbraw/zinc/16/46/20/1020164620.db2.gz ZSXKYCCFONGWCV-WBVHZDCISA-N 1 0 320.433 3.567 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1[N+](=O)[O-] ZINC000124923527 1020242182 /nfs/dbraw/zinc/24/21/82/1020242182.db2.gz RLNQTLQZFOFZMX-DNNBLBMLSA-N 1 0 304.390 3.511 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(Cl)c2F)cc1 ZINC000125140442 1020268880 /nfs/dbraw/zinc/26/88/80/1020268880.db2.gz CFXYWUYEVYTYLC-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO CC(C)[NH+](CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000155801692 1020274764 /nfs/dbraw/zinc/27/47/64/1020274764.db2.gz KXLHPWIYUYNQLF-HNNXBMFYSA-N 1 0 307.438 3.754 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000155911301 1020287041 /nfs/dbraw/zinc/28/70/41/1020287041.db2.gz QXDRXFORPQRICL-JQFCIGGWSA-N 1 0 314.389 3.626 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000125381715 1020296952 /nfs/dbraw/zinc/29/69/52/1020296952.db2.gz NSBJWXIPLOEGPV-LBPRGKRZSA-N 1 0 318.348 3.503 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000125381953 1020297311 /nfs/dbraw/zinc/29/73/11/1020297311.db2.gz NSBJWXIPLOEGPV-GFCCVEGCSA-N 1 0 318.348 3.503 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000922839788 1020303691 /nfs/dbraw/zinc/30/36/91/1020303691.db2.gz ZCUPQXCVBIELEU-OSEPDQNXSA-N 1 0 306.431 3.872 20 5 DHBDRO Cc1c([C@H](C)NCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000156244774 1020334221 /nfs/dbraw/zinc/33/42/21/1020334221.db2.gz OOWKIVUTEFIITC-HNNXBMFYSA-N 1 0 307.438 3.673 20 5 DHBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)c1O ZINC000298679102 1020421776 /nfs/dbraw/zinc/42/17/76/1020421776.db2.gz FCSNPPQDVCXHGE-CYBMUJFWSA-N 1 0 300.358 3.768 20 5 DHBDRO CC(C)(C)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000179793844 1020446766 /nfs/dbraw/zinc/44/67/66/1020446766.db2.gz VLNVQHXTLRYEBH-MRXNPFEDSA-N 1 0 316.405 3.558 20 5 DHBDRO CCC[C@H]([NH2+]CC1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000318319051 1020460704 /nfs/dbraw/zinc/46/07/04/1020460704.db2.gz VXPSXBJMYHXFCA-INIZCTEOSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001116466943 1020488693 /nfs/dbraw/zinc/48/86/93/1020488693.db2.gz NXACOMZGKHCDBL-YPMHNXCESA-N 1 0 322.405 3.674 20 5 DHBDRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000765846797 1020490506 /nfs/dbraw/zinc/49/05/06/1020490506.db2.gz YHGOGFQRNLLJHI-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848156 1020491818 /nfs/dbraw/zinc/49/18/18/1020491818.db2.gz GNGHQISSCCJWJM-BRWVUGGUSA-N 1 0 320.433 3.823 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000282680280 1020500852 /nfs/dbraw/zinc/50/08/52/1020500852.db2.gz JQXNPUFDOZDCCR-RHSMWYFYSA-N 1 0 318.417 3.903 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000065967497 1020610145 /nfs/dbraw/zinc/61/01/45/1020610145.db2.gz KIHYVQJYPGGLLK-SFYZZRBRSA-N 1 0 300.402 3.648 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccc(C)n1 ZINC000355222030 1020617415 /nfs/dbraw/zinc/61/74/15/1020617415.db2.gz NPMXWTPGUVTEPN-KAMYIIQDSA-N 1 0 311.385 3.534 20 5 DHBDRO CCC(F)(F)C(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858513155 1032928935 /nfs/dbraw/zinc/92/89/35/1032928935.db2.gz JECMDFJWHXKJFO-SNVBAGLBSA-N 1 0 315.364 3.899 20 5 DHBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001217988505 1020735002 /nfs/dbraw/zinc/73/50/02/1020735002.db2.gz CYZQKCLPJQYZGK-UFBFGSQYSA-N 1 0 319.188 3.669 20 5 DHBDRO C[C@@H]1CCCCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000738227103 1020865351 /nfs/dbraw/zinc/86/53/51/1020865351.db2.gz RGTUWVFOXZIQOD-CQSZACIVSA-N 1 0 314.389 3.680 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000581380359 1020884246 /nfs/dbraw/zinc/88/42/46/1020884246.db2.gz RJOXTDGARLKCOB-APPDUMDISA-N 1 0 322.368 3.809 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000414167525 1020955262 /nfs/dbraw/zinc/95/52/62/1020955262.db2.gz GVOGXGXTULHETP-LRVUVFPRSA-N 1 0 322.405 3.602 20 5 DHBDRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000414191586 1020977680 /nfs/dbraw/zinc/97/76/80/1020977680.db2.gz UJVGLWUVPMJRNI-XNJJOIOASA-N 1 0 300.333 3.941 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000414209403 1021000587 /nfs/dbraw/zinc/00/05/87/1021000587.db2.gz MLYXLJHMLNPCMN-RZFFKMDDSA-N 1 0 304.390 3.833 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000170688868 1021001644 /nfs/dbraw/zinc/00/16/44/1021001644.db2.gz RHNORRUFCPBXTA-YOEHRIQHSA-N 1 0 311.385 3.842 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414242516 1021025451 /nfs/dbraw/zinc/02/54/51/1021025451.db2.gz QCEVCEJYMSMLLY-IYOUNJFTSA-N 1 0 320.433 3.709 20 5 DHBDRO CC[C@H]([NH2+]CC(C)(C)OCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414261882 1021039477 /nfs/dbraw/zinc/03/94/77/1021039477.db2.gz JDWDBMGPEDDGHZ-INIZCTEOSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@@H]1Cc2ccccc2CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000741796963 1021055350 /nfs/dbraw/zinc/05/53/50/1021055350.db2.gz HCIDWKBDDXPFBB-GFCCVEGCSA-N 1 0 300.333 3.681 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccns1 ZINC000858577754 1032953062 /nfs/dbraw/zinc/95/30/62/1032953062.db2.gz QWIVHPSMVWWRMH-VXGBXAGGSA-N 1 0 305.403 3.723 20 5 DHBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000742589422 1021139803 /nfs/dbraw/zinc/13/98/03/1021139803.db2.gz HQSYUDNPWLYRSU-CQSZACIVSA-N 1 0 312.369 3.593 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000180700816 1021148072 /nfs/dbraw/zinc/14/80/72/1021148072.db2.gz MBMRDASMYMHXLX-CHWSQXEVSA-N 1 0 322.405 3.674 20 5 DHBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000776277477 1021208348 /nfs/dbraw/zinc/20/83/48/1021208348.db2.gz PYLGHFCCYMCCEU-RNJTYBCJSA-N 1 0 318.417 3.529 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CC2CCCCC2)C2CC2)cc1 ZINC000776277391 1021208694 /nfs/dbraw/zinc/20/86/94/1021208694.db2.gz OENRMYMTZIQWRX-SFHVURJKSA-N 1 0 318.417 3.673 20 5 DHBDRO Cc1ccc([C@H](C)[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776274232 1021218386 /nfs/dbraw/zinc/21/83/86/1021218386.db2.gz CHQRWECPMMJREC-KBXCAEBGSA-N 1 0 314.385 3.630 20 5 DHBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(C)(C)CC1 ZINC000154436550 1021287213 /nfs/dbraw/zinc/28/72/13/1021287213.db2.gz MQRBWKSPLMGTAS-INIZCTEOSA-N 1 0 306.406 3.529 20 5 DHBDRO CCOC[C@H]([NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)C(C)C ZINC000189354709 1021359274 /nfs/dbraw/zinc/35/92/74/1021359274.db2.gz LOFOUWCMOJHVLX-ZFWWWQNUSA-N 1 0 324.421 3.705 20 5 DHBDRO COc1ccc(CC(C)(C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000189453525 1021361945 /nfs/dbraw/zinc/36/19/45/1021361945.db2.gz YXRVXKBRIBUHNG-UHFFFAOYSA-N 1 0 320.414 3.776 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1Cc3ccccc31)CCC2 ZINC000618567696 1021427023 /nfs/dbraw/zinc/42/70/23/1021427023.db2.gz CBKGCMLJYFYPEY-DNVCBOLYSA-N 1 0 308.381 3.902 20 5 DHBDRO C[C@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1(F)F ZINC000850380262 1021499246 /nfs/dbraw/zinc/49/92/46/1021499246.db2.gz CXBILNFIBBSLHT-LBPRGKRZSA-N 1 0 304.724 3.773 20 5 DHBDRO CCC(CC)[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000918179638 1021476846 /nfs/dbraw/zinc/47/68/46/1021476846.db2.gz STMVORDWASECAR-UHFFFAOYSA-N 1 0 302.378 3.555 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3C=CCC3)cs2)c1 ZINC000850358317 1021486804 /nfs/dbraw/zinc/48/68/04/1021486804.db2.gz AZFUJINKDHVWCF-GFCCVEGCSA-N 1 0 301.371 3.527 20 5 DHBDRO CO[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000850400917 1021510006 /nfs/dbraw/zinc/51/00/06/1021510006.db2.gz QKGJDILDAFRSJG-OAHLLOKOSA-N 1 0 312.797 3.543 20 5 DHBDRO C[N@H+](CCCOCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000182193891 1021533882 /nfs/dbraw/zinc/53/38/82/1021533882.db2.gz ISVROYGWEHBLDI-UHFFFAOYSA-N 1 0 314.385 3.634 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C(C)C)cc1[N+](=O)[O-] ZINC000556124193 1021536827 /nfs/dbraw/zinc/53/68/27/1021536827.db2.gz YKEQQYMVVFWZIQ-WBVHZDCISA-N 1 0 319.449 3.817 20 5 DHBDRO CCOC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000850445993 1021540227 /nfs/dbraw/zinc/54/02/27/1021540227.db2.gz ZAOJXPWVHXTJQU-UHFFFAOYSA-N 1 0 312.797 3.686 20 5 DHBDRO CC1(C)C[C@@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[NH2+]1 ZINC001218477514 1021562993 /nfs/dbraw/zinc/56/29/93/1021562993.db2.gz ZJPWOHNWWMJQOW-QMMMGPOBSA-N 1 0 319.188 3.811 20 5 DHBDRO CCC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000850525065 1021578196 /nfs/dbraw/zinc/57/81/96/1021578196.db2.gz KMMJTJLYIBRVTC-GDBMZVCRSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cs1 ZINC000556168911 1021581617 /nfs/dbraw/zinc/58/16/17/1021581617.db2.gz QFUZOKGIIZUIAG-UHFFFAOYSA-N 1 0 315.398 3.778 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850530185 1021582196 /nfs/dbraw/zinc/58/21/96/1021582196.db2.gz WMQYCLQGMODCQI-BJOOFOGMSA-N 1 0 312.369 3.732 20 5 DHBDRO CC(C)(C)OCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000695263817 1021734343 /nfs/dbraw/zinc/73/43/43/1021734343.db2.gz RWVQCGUUABREQX-UHFFFAOYSA-N 1 0 300.786 3.543 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnn(C2CCCC2)c1 ZINC000337453374 1033005565 /nfs/dbraw/zinc/00/55/65/1033005565.db2.gz INQCOGMLIPXXOQ-CYBMUJFWSA-N 1 0 314.389 3.757 20 5 DHBDRO O=[N+]([O-])c1ccc(CCNc2cc[nH+]c3c(O)cccc23)cc1 ZINC000619477535 1021766586 /nfs/dbraw/zinc/76/65/86/1021766586.db2.gz DFXGWVPFSFYXJP-UHFFFAOYSA-N 1 0 309.325 3.503 20 5 DHBDRO COc1cccc([C@H](C)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000194984285 1021831440 /nfs/dbraw/zinc/83/14/40/1021831440.db2.gz JZSXDQXNLMDEBF-ZDUSSCGKSA-N 1 0 300.358 3.796 20 5 DHBDRO Cc1ccncc1CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000290429057 1022018151 /nfs/dbraw/zinc/01/81/51/1022018151.db2.gz RLZHEUDQCORGIJ-OAHLLOKOSA-N 1 0 313.401 3.890 20 5 DHBDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000122786274 1022055598 /nfs/dbraw/zinc/05/55/98/1022055598.db2.gz XHKUHZLIWVOMFN-KGLIPLIRSA-N 1 0 314.385 3.972 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271460604 1022080692 /nfs/dbraw/zinc/08/06/92/1022080692.db2.gz JYMLNUBBULGUSJ-SJORKVTESA-N 1 0 318.348 3.508 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(C3CCCC3)CC2)cc1 ZINC000776588180 1022100073 /nfs/dbraw/zinc/10/00/73/1022100073.db2.gz MDEYSNSICXKDTF-GOSISDBHSA-N 1 0 318.417 3.530 20 5 DHBDRO CC(C)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000776585835 1022105539 /nfs/dbraw/zinc/10/55/39/1022105539.db2.gz AJHPAZTYHVNLRW-INIZCTEOSA-N 1 0 308.422 3.632 20 5 DHBDRO CC[C@@](C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776604291 1022139837 /nfs/dbraw/zinc/13/98/37/1022139837.db2.gz ATURKHYKWJCKNW-QZTJIDSGSA-N 1 0 314.385 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC(c3ccon3)CC2)c1 ZINC000852672554 1022154439 /nfs/dbraw/zinc/15/44/39/1022154439.db2.gz GEXVMYSACNXVHU-UHFFFAOYSA-N 1 0 321.764 3.616 20 5 DHBDRO CCCC[NH+](CCCC)CCNc1cc([N+](=O)[O-])c(C)cn1 ZINC001167732700 1022177837 /nfs/dbraw/zinc/17/78/37/1022177837.db2.gz ATJVYZUNXTYQHJ-UHFFFAOYSA-N 1 0 308.426 3.612 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000183562669 1022178773 /nfs/dbraw/zinc/17/87/73/1022178773.db2.gz PPLKTRRGMQPMDF-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCCCC2)C1 ZINC001168976724 1022197388 /nfs/dbraw/zinc/19/73/88/1022197388.db2.gz FSXUHKKWAVNGAK-RDJZCZTQSA-N 1 0 302.418 3.881 20 5 DHBDRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168981255 1022199701 /nfs/dbraw/zinc/19/97/01/1022199701.db2.gz GWXZITGGOQWSHY-VBQJREDUSA-N 1 0 308.397 3.948 20 5 DHBDRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168981251 1022200012 /nfs/dbraw/zinc/20/00/12/1022200012.db2.gz GWXZITGGOQWSHY-CPUCHLNUSA-N 1 0 308.397 3.948 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(Cl)c1F ZINC001168964657 1022200758 /nfs/dbraw/zinc/20/07/58/1022200758.db2.gz VBCPKIDYSFOYQW-VWYCJHECSA-N 1 0 300.761 3.575 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1C(F)(F)F ZINC001168985887 1022201271 /nfs/dbraw/zinc/20/12/71/1022201271.db2.gz VJDVHEPKSZBASX-TUAOUCFPSA-N 1 0 316.323 3.801 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC001168963150 1022202223 /nfs/dbraw/zinc/20/22/23/1022202223.db2.gz NVCWEAZXBYRWBA-RNCFNFMXSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)C1 ZINC001168967486 1022203342 /nfs/dbraw/zinc/20/33/42/1022203342.db2.gz QCQGEPCJLPSRDO-JQWIXIFHSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC001168968184 1022204042 /nfs/dbraw/zinc/20/40/42/1022204042.db2.gz XHCBNNQHOAJROW-ONGXEEELSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)C1 ZINC001168967378 1022204206 /nfs/dbraw/zinc/20/42/06/1022204206.db2.gz PJMJDDSBGVYBBE-YLJYHZDGSA-N 1 0 324.424 3.931 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(F)c1 ZINC001168974445 1022208328 /nfs/dbraw/zinc/20/83/28/1022208328.db2.gz QKGBICBTNWATAO-FOGDFJRCSA-N 1 0 300.761 3.575 20 5 DHBDRO Cc1ccccc1CC(C)(C)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169000590 1022210382 /nfs/dbraw/zinc/21/03/82/1022210382.db2.gz XTVQXLZQWKNHSZ-WBVHZDCISA-N 1 0 304.434 3.599 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3cccc(Cl)c3)CC2)C1 ZINC001169011562 1022215151 /nfs/dbraw/zinc/21/51/51/1022215151.db2.gz KZIRHQBBRVCFSM-SUMWQHHRSA-N 1 0 322.836 3.965 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccc(Cl)s2)C1 ZINC001169033310 1022219326 /nfs/dbraw/zinc/21/93/26/1022219326.db2.gz BUFNJMKWNTZNRP-UTUOFQBUSA-N 1 0 314.838 3.984 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(Cl)s2)C1 ZINC001169033311 1022220012 /nfs/dbraw/zinc/22/00/12/1022220012.db2.gz BUFNJMKWNTZNRP-WOPDTQHZSA-N 1 0 314.838 3.984 20 5 DHBDRO COc1cccc([C@@H]2CCCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169036524 1022221451 /nfs/dbraw/zinc/22/14/51/1022221451.db2.gz PCJZZPGYDFJHLL-KYJSFNMBSA-N 1 0 318.417 3.668 20 5 DHBDRO COc1cccc([C@@H]2CCCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169036527 1022221929 /nfs/dbraw/zinc/22/19/29/1022221929.db2.gz PCJZZPGYDFJHLL-ZVZYQTTQSA-N 1 0 318.417 3.668 20 5 DHBDRO C[N@H+](Cc1c(Cl)cccc1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038561 1022222684 /nfs/dbraw/zinc/22/26/84/1022222684.db2.gz ZPIJDGDBNBZHMY-QWRGUYRKSA-N 1 0 317.216 3.871 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC001169039793 1022224082 /nfs/dbraw/zinc/22/40/82/1022224082.db2.gz UBDYVHANYWMHCE-IVMMDQJWSA-N 1 0 308.809 3.575 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000122956649 1022370071 /nfs/dbraw/zinc/37/00/71/1022370071.db2.gz BBLPUZBFXWETJY-ZIAGYGMSSA-N 1 0 314.385 3.891 20 5 DHBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000610133443 1022425517 /nfs/dbraw/zinc/42/55/17/1022425517.db2.gz PBDRAJSKEBUNMU-BBWFWOEESA-N 1 0 318.417 3.620 20 5 DHBDRO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000080468493 1022433609 /nfs/dbraw/zinc/43/36/09/1022433609.db2.gz SRIHKYUOONKRKE-CJNGLKHVSA-N 1 0 307.438 3.612 20 5 DHBDRO C[C@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417318396 1022673789 /nfs/dbraw/zinc/67/37/89/1022673789.db2.gz YTCQKJXDBAMATR-DLBZAZTESA-N 1 0 304.390 3.521 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000068836631 1022767935 /nfs/dbraw/zinc/76/79/35/1022767935.db2.gz XPGXUWKSGPLYEQ-MRXNPFEDSA-N 1 0 321.327 3.588 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000768088827 1022878371 /nfs/dbraw/zinc/87/83/71/1022878371.db2.gz BXJRCQWSMBWQBR-QWHCGFSZSA-N 1 0 318.373 3.868 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000876585263 1033097410 /nfs/dbraw/zinc/09/74/10/1033097410.db2.gz GHGWUIQCMITAGX-SFHVURJKSA-N 1 0 311.385 3.944 20 5 DHBDRO CSC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000312743960 1023143123 /nfs/dbraw/zinc/14/31/23/1023143123.db2.gz VWURQOKBCYGFFX-NSHDSACASA-N 1 0 314.838 3.823 20 5 DHBDRO C[C@H](CCC1CC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000769416625 1023145298 /nfs/dbraw/zinc/14/52/98/1023145298.db2.gz DZTQUNAZAVKXBN-CQSZACIVSA-N 1 0 317.433 3.732 20 5 DHBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000150749195 1023186312 /nfs/dbraw/zinc/18/63/12/1023186312.db2.gz APYVACLCNFQHEG-OAHLLOKOSA-N 1 0 320.389 3.616 20 5 DHBDRO CC[C@@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000769786563 1023213815 /nfs/dbraw/zinc/21/38/15/1023213815.db2.gz JZZPWRIQQOTGLY-GOSISDBHSA-N 1 0 324.384 3.886 20 5 DHBDRO O=[N+]([O-])c1sccc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000063258197 1023480981 /nfs/dbraw/zinc/48/09/81/1023480981.db2.gz NEGIPLBJAFQCLG-UHFFFAOYSA-N 1 0 317.414 3.517 20 5 DHBDRO CC(C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000785607028 1023594293 /nfs/dbraw/zinc/59/42/93/1023594293.db2.gz OALJFIYBDAJZLF-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000111384300 1023695749 /nfs/dbraw/zinc/69/57/49/1023695749.db2.gz HWHIMWCQBJTJSK-MRXNPFEDSA-N 1 0 320.414 3.574 20 5 DHBDRO CC[N@H+](CCc1ccccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746663342 1023773400 /nfs/dbraw/zinc/77/34/00/1023773400.db2.gz QALVIGLZFZXGOB-UHFFFAOYSA-N 1 0 319.792 3.708 20 5 DHBDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000164644266 1023822281 /nfs/dbraw/zinc/82/22/81/1023822281.db2.gz OFYKYMJOFJSHDN-AWEZNQCLSA-N 1 0 316.405 3.539 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1F ZINC000788487019 1023893377 /nfs/dbraw/zinc/89/33/77/1023893377.db2.gz BCFCSAIJRVFGET-GJZGRUSLSA-N 1 0 310.394 3.594 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499019 1023895521 /nfs/dbraw/zinc/89/55/21/1023895521.db2.gz RIBIYQIGLJCRIY-UONOGXRCSA-N 1 0 313.401 3.849 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788521192 1023899915 /nfs/dbraw/zinc/89/99/15/1023899915.db2.gz SZXLWQJAIPKBMM-ZDUSSCGKSA-N 1 0 313.401 3.805 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1F ZINC000859564865 1033170619 /nfs/dbraw/zinc/17/06/19/1033170619.db2.gz QFVXRJLWUVSFDJ-QGZVFWFLSA-N 1 0 315.348 3.760 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788647620 1023913773 /nfs/dbraw/zinc/91/37/73/1023913773.db2.gz HTBXQTXNTQUTPN-QMMMGPOBSA-N 1 0 311.794 3.743 20 5 DHBDRO C[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788652230 1023914495 /nfs/dbraw/zinc/91/44/95/1023914495.db2.gz OKZDINXXWYEPJJ-NSHDSACASA-N 1 0 311.341 3.774 20 5 DHBDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638904 1023918155 /nfs/dbraw/zinc/91/81/55/1023918155.db2.gz JYPHSTDDXWPSRK-FTLABTOESA-N 1 0 311.385 3.761 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC(C)(C)C)CC1 ZINC000268311862 1024100308 /nfs/dbraw/zinc/10/03/08/1024100308.db2.gz QKZPTJAFAIFVFR-ZDUSSCGKSA-N 1 0 306.406 3.935 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000268806048 1024165144 /nfs/dbraw/zinc/16/51/44/1024165144.db2.gz RWLPYPQHDHOSCW-IRXDYDNUSA-N 1 0 318.348 3.508 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000268806050 1024166619 /nfs/dbraw/zinc/16/66/19/1024166619.db2.gz RWLPYPQHDHOSCW-SJORKVTESA-N 1 0 318.348 3.508 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1(C)CC1 ZINC000876977570 1033196715 /nfs/dbraw/zinc/19/67/15/1033196715.db2.gz XWGRMHAAYDWYAF-SSDOTTSWSA-N 1 0 319.224 3.697 20 5 DHBDRO COc1ccc(C[NH2+]C/C(C)=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000520214678 1024261443 /nfs/dbraw/zinc/26/14/43/1024261443.db2.gz RYKVCMGXZGBZLI-GXDHUFHOSA-N 1 0 312.369 3.797 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CN1CCC[C@H](C)C1 ZINC000531697435 1024271371 /nfs/dbraw/zinc/27/13/71/1024271371.db2.gz RALLRBHMZQZYLA-IMJJTQAJSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN1CCC[C@H](C)C1 ZINC000531697434 1024272138 /nfs/dbraw/zinc/27/21/38/1024272138.db2.gz RALLRBHMZQZYLA-BPUTZDHNSA-N 1 0 319.449 3.674 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccns1 ZINC000883247049 1024314946 /nfs/dbraw/zinc/31/49/46/1024314946.db2.gz YDWBVMZVADSVGH-JTQLQIEISA-N 1 0 323.443 3.667 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)CC(F)F ZINC000883260294 1024331683 /nfs/dbraw/zinc/33/16/83/1024331683.db2.gz PQHYAOWITUSSFI-JTQLQIEISA-N 1 0 316.348 3.935 20 5 DHBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877004319 1033205758 /nfs/dbraw/zinc/20/57/58/1033205758.db2.gz KOKZAHGJADRFSJ-GIOUXUJVSA-N 1 0 320.437 3.689 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000105447174 1024380521 /nfs/dbraw/zinc/38/05/21/1024380521.db2.gz VYTQOAFXQASOAY-LLVKDONJSA-N 1 0 320.776 3.675 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883356149 1024399283 /nfs/dbraw/zinc/39/92/83/1024399283.db2.gz HBFCDCLIDCYILX-HIFRSBDPSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453310613 1024455731 /nfs/dbraw/zinc/45/57/31/1024455731.db2.gz FPMYPKNRZALGAT-UONOGXRCSA-N 1 0 304.390 3.595 20 5 DHBDRO CC[C@H]([NH2+]CCCc1ncccc1C)c1cccc([N+](=O)[O-])c1 ZINC000453310577 1024455921 /nfs/dbraw/zinc/45/59/21/1024455921.db2.gz RUAUKPVQDMDCBW-KRWDZBQOSA-N 1 0 313.401 3.972 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453317380 1024459647 /nfs/dbraw/zinc/45/96/47/1024459647.db2.gz LKXQOUIYRBHGSK-KGLIPLIRSA-N 1 0 304.390 3.595 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC1(F)F)CCC2 ZINC000453322724 1024463681 /nfs/dbraw/zinc/46/36/81/1024463681.db2.gz SXHXVEKJADVVFN-DOMZBBRYSA-N 1 0 310.344 3.997 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000271200882 1024471529 /nfs/dbraw/zinc/47/15/29/1024471529.db2.gz ZGKYAWMDRYEQHA-SNVBAGLBSA-N 1 0 320.311 3.987 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1CC(F)(F)C1)CCC2 ZINC000453400207 1024500084 /nfs/dbraw/zinc/50/00/84/1024500084.db2.gz AYPPBNPHPJAVNV-OAHLLOKOSA-N 1 0 310.344 3.997 20 5 DHBDRO CC[C@@H]([NH2+]CC1(CO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000317338976 1024524952 /nfs/dbraw/zinc/52/49/52/1024524952.db2.gz QHKQNTILVIVWPN-MRXNPFEDSA-N 1 0 306.406 3.578 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nccs1 ZINC000271513288 1024526933 /nfs/dbraw/zinc/52/69/33/1024526933.db2.gz PADWGQHWDQTMQP-CYBMUJFWSA-N 1 0 319.430 3.595 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000271556260 1024539568 /nfs/dbraw/zinc/53/95/68/1024539568.db2.gz VVKXBWBYQFGQEZ-KGLIPLIRSA-N 1 0 304.390 3.656 20 5 DHBDRO CC[C@H]([NH2+]C1CC(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000348688023 1024605332 /nfs/dbraw/zinc/60/53/32/1024605332.db2.gz VFYVXTZNWSPVQL-XIVSLSHWSA-N 1 0 302.296 3.976 20 5 DHBDRO Cc1ncc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000279042312 1024694643 /nfs/dbraw/zinc/69/46/43/1024694643.db2.gz JMQOSGVAVYILFD-HNNXBMFYSA-N 1 0 317.414 3.872 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc(C)cs2)c([N+](=O)[O-])c1 ZINC001170298396 1024729648 /nfs/dbraw/zinc/72/96/48/1024729648.db2.gz KXUQLWDORUOMST-LBPRGKRZSA-N 1 0 320.414 3.694 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170298252 1024730277 /nfs/dbraw/zinc/73/02/77/1024730277.db2.gz HVVZAPXANDVFEE-YCPHGPKFSA-N 1 0 320.433 3.950 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170290566 1024740019 /nfs/dbraw/zinc/74/00/19/1024740019.db2.gz CWFJUUXDWCAYQW-WWGRRREGSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]CC2(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170322931 1024741344 /nfs/dbraw/zinc/74/13/44/1024741344.db2.gz ISMFPRICKCUWTP-ZDUSSCGKSA-N 1 0 318.417 3.704 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC001170329764 1024746583 /nfs/dbraw/zinc/74/65/83/1024746583.db2.gz TZUWFXYOWYZIDO-GUYCJALGSA-N 1 0 318.417 3.847 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC001170306505 1024749661 /nfs/dbraw/zinc/74/96/61/1024749661.db2.gz WNKGMTPOMYVBCZ-YDHLFZDLSA-N 1 0 306.406 3.703 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279129146 1024751174 /nfs/dbraw/zinc/75/11/74/1024751174.db2.gz QWKZGGXTOAFXQO-QGZVFWFLSA-N 1 0 311.385 3.810 20 5 DHBDRO CCC[N@H+](CC(C)C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170355298 1024751822 /nfs/dbraw/zinc/75/18/22/1024751822.db2.gz ZFHFLQPJHDADMB-CQSZACIVSA-N 1 0 308.422 3.902 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CCCCCCC3)c2)cc1 ZINC000728895692 1024754828 /nfs/dbraw/zinc/75/48/28/1024754828.db2.gz DOTHYRLLQJTEMJ-UHFFFAOYSA-N 1 0 314.389 3.682 20 5 DHBDRO CCOCCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279160654 1024768835 /nfs/dbraw/zinc/76/88/35/1024768835.db2.gz UBFNNWVTJOACTA-INIZCTEOSA-N 1 0 306.406 3.724 20 5 DHBDRO CCCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000349965235 1024776153 /nfs/dbraw/zinc/77/61/53/1024776153.db2.gz FJSHKHMFVHEYQF-UHFFFAOYSA-N 1 0 306.406 3.684 20 5 DHBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)C ZINC000114725536 1024819224 /nfs/dbraw/zinc/81/92/24/1024819224.db2.gz MPTLXOKBYQBCEH-UHFFFAOYSA-N 1 0 317.389 3.770 20 5 DHBDRO CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC001170424646 1024866302 /nfs/dbraw/zinc/86/63/02/1024866302.db2.gz OGIGWHLLLVIHQZ-NVXWUHKLSA-N 1 0 318.417 3.732 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000170719144 1024867202 /nfs/dbraw/zinc/86/72/02/1024867202.db2.gz SGFUPQRHINDYCH-JQWIXIFHSA-N 1 0 302.296 3.930 20 5 DHBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000877119623 1033242858 /nfs/dbraw/zinc/24/28/58/1033242858.db2.gz JGWBINMABNLRGH-UHFFFAOYSA-N 1 0 320.437 3.691 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C(F)(F)F)CCC2)c(F)c1 ZINC000353087617 1024940712 /nfs/dbraw/zinc/94/07/12/1024940712.db2.gz OOHQCDRELPPIQM-UHFFFAOYSA-N 1 0 306.259 3.556 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000793242384 1024961111 /nfs/dbraw/zinc/96/11/11/1024961111.db2.gz QHJKTSJVYKZGCN-MSOLQXFVSA-N 1 0 314.385 3.587 20 5 DHBDRO C[C@@H](NCc1ccn(C2CCCC2)n1)c1ccccc1[N+](=O)[O-] ZINC000120896034 1025062620 /nfs/dbraw/zinc/06/26/20/1025062620.db2.gz PCSLXDPOLUWPQW-CYBMUJFWSA-N 1 0 314.389 3.757 20 5 DHBDRO Cc1ccc(CN2CC(C)(C)[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000353699347 1025201194 /nfs/dbraw/zinc/20/11/94/1025201194.db2.gz RQTXSNDIBFWMCC-KRWDZBQOSA-N 1 0 311.385 3.881 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC(C)(C)[C@@H]1c1ccncc1 ZINC000353698539 1025204240 /nfs/dbraw/zinc/20/42/40/1025204240.db2.gz MZJYZUBQIXJFLC-KRWDZBQOSA-N 1 0 311.385 3.881 20 5 DHBDRO Cc1[nH]c(C2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884707095 1025232809 /nfs/dbraw/zinc/23/28/09/1025232809.db2.gz XVBQAFSTHABNDA-UHFFFAOYSA-N 1 0 314.389 3.627 20 5 DHBDRO CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897459117 1025350956 /nfs/dbraw/zinc/35/09/56/1025350956.db2.gz HPVUHEXFMAPCEI-RBSFLKMASA-N 1 0 306.406 3.636 20 5 DHBDRO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897461312 1025361401 /nfs/dbraw/zinc/36/14/01/1025361401.db2.gz ZULOYGOLOCUUNK-RBSFLKMASA-N 1 0 306.406 3.636 20 5 DHBDRO C[C@H](C[NH2+]Cc1cccnc1Cl)c1ccccc1[N+](=O)[O-] ZINC000897469680 1025415889 /nfs/dbraw/zinc/41/58/89/1025415889.db2.gz OOEIFMGOMWPKJJ-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885956735 1025420306 /nfs/dbraw/zinc/42/03/06/1025420306.db2.gz XOBIJKAODFDINE-CQSZACIVSA-N 1 0 311.385 3.791 20 5 DHBDRO Cc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747211841 1025459707 /nfs/dbraw/zinc/45/97/07/1025459707.db2.gz OKHWDSOMPLNYRU-LBPRGKRZSA-N 1 0 311.813 3.523 20 5 DHBDRO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000886062277 1025461032 /nfs/dbraw/zinc/46/10/32/1025461032.db2.gz LQZCXDXAFOJGAS-UHFFFAOYSA-N 1 0 305.765 3.668 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000886062089 1025461122 /nfs/dbraw/zinc/46/11/22/1025461122.db2.gz GOPKWNGCIDQAHM-UHFFFAOYSA-N 1 0 315.348 3.688 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)CC1CCCC1)C1CC1 ZINC000354731856 1025493812 /nfs/dbraw/zinc/49/38/12/1025493812.db2.gz LSWYSTWWLHKAFB-KRWDZBQOSA-N 1 0 318.417 3.500 20 5 DHBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747218325 1025497226 /nfs/dbraw/zinc/49/72/26/1025497226.db2.gz SUCHYMRYWIYLRP-CYBMUJFWSA-N 1 0 323.824 3.621 20 5 DHBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000886209194 1025558421 /nfs/dbraw/zinc/55/84/21/1025558421.db2.gz HBUNFGAYORRXJB-TXEJJXNPSA-N 1 0 317.311 3.543 20 5 DHBDRO COc1cccc(NCCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000355331460 1025680543 /nfs/dbraw/zinc/68/05/43/1025680543.db2.gz FSWLNKRDHOBXLQ-AWEZNQCLSA-N 1 0 321.421 3.527 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ccc(F)cc3)CC2)cc1 ZINC000533068177 1026204462 /nfs/dbraw/zinc/20/44/62/1026204462.db2.gz VNRLEMKYFBHUCI-UHFFFAOYSA-N 1 0 300.333 3.555 20 5 DHBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000513490097 1026521348 /nfs/dbraw/zinc/52/13/48/1026521348.db2.gz LZXCMSDPIUCHOL-CQSZACIVSA-N 1 0 314.385 3.666 20 5 DHBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809733023 1026596806 /nfs/dbraw/zinc/59/68/06/1026596806.db2.gz OTCRCRHOVXFLKZ-UWWQBHOKSA-N 1 0 320.433 3.823 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCSC2)o1 ZINC000280212609 1026611890 /nfs/dbraw/zinc/61/18/90/1026611890.db2.gz WFHNVSHPSFRZKJ-GFCCVEGCSA-N 1 0 318.398 3.698 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420951114 1026890115 /nfs/dbraw/zinc/89/01/15/1026890115.db2.gz QMQQFMPHTOTEMM-GFCCVEGCSA-N 1 0 302.296 3.759 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421346136 1026957410 /nfs/dbraw/zinc/95/74/10/1026957410.db2.gz CEKFELUWBQIPPQ-QTLSWZBMSA-N 1 0 318.442 3.731 20 5 DHBDRO CO[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000811482182 1027007069 /nfs/dbraw/zinc/00/70/69/1027007069.db2.gz HABQTMXPVNVDKF-LBPRGKRZSA-N 1 0 321.204 3.662 20 5 DHBDRO CC[C@H](O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481688 1027007869 /nfs/dbraw/zinc/00/78/69/1027007869.db2.gz JRJIJBNNQMTKML-NSHDSACASA-N 1 0 321.204 3.542 20 5 DHBDRO CC(C)OCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811471505 1027015005 /nfs/dbraw/zinc/01/50/05/1027015005.db2.gz DQOSSVOZRCVUJO-UHFFFAOYSA-N 1 0 321.204 3.806 20 5 DHBDRO CSCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481179 1027018260 /nfs/dbraw/zinc/01/82/60/1027018260.db2.gz QYRBTVBOZIERBQ-UHFFFAOYSA-N 1 0 309.218 3.744 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000562066683 1027211873 /nfs/dbraw/zinc/21/18/73/1027211873.db2.gz XIZUMCQMSREWCW-DEQVHRJGSA-N 1 0 310.344 3.549 20 5 DHBDRO CSCC1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000295383228 1027244404 /nfs/dbraw/zinc/24/44/04/1027244404.db2.gz KQWXWSRRWSPRLF-UHFFFAOYSA-N 1 0 308.447 3.649 20 5 DHBDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000573933488 1027344509 /nfs/dbraw/zinc/34/45/09/1027344509.db2.gz GWOYYFLQUIIXRX-PXAZEXFGSA-N 1 0 312.369 3.942 20 5 DHBDRO COCC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000295799531 1027433220 /nfs/dbraw/zinc/43/32/20/1027433220.db2.gz SQHIJLGQDUJJTN-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000932276677 1027443274 /nfs/dbraw/zinc/44/32/74/1027443274.db2.gz VLTFUPLVQLFSTL-WMLDXEAASA-N 1 0 311.385 3.758 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCCS1 ZINC000158246947 1027459260 /nfs/dbraw/zinc/45/92/60/1027459260.db2.gz SWVDJPYGSHKPKE-GFCCVEGCSA-N 1 0 300.811 3.624 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000423362783 1027521607 /nfs/dbraw/zinc/52/16/07/1027521607.db2.gz YEVLDOSUHFRWPW-KZULUSFZSA-N 1 0 311.385 3.905 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1C ZINC000932570749 1027546897 /nfs/dbraw/zinc/54/68/97/1027546897.db2.gz NUWBUSIPOSIDOF-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423449235 1027547992 /nfs/dbraw/zinc/54/79/92/1027547992.db2.gz REUFQYQBIJWJNL-SRVKXCTJSA-N 1 0 319.430 3.710 20 5 DHBDRO COc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000296607265 1027684718 /nfs/dbraw/zinc/68/47/18/1027684718.db2.gz WBNMMJJLCIMPIU-JTQLQIEISA-N 1 0 321.764 3.503 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCSCC1 ZINC000779034792 1027948322 /nfs/dbraw/zinc/94/83/22/1027948322.db2.gz BYNGXKLLBCPYSC-SNVBAGLBSA-N 1 0 314.838 3.870 20 5 DHBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601266050 1028049152 /nfs/dbraw/zinc/04/91/52/1028049152.db2.gz ZVJGGGLQDAOSLU-SGTLLEGYSA-N 1 0 312.369 3.942 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C12CCC2 ZINC000783634470 1028083738 /nfs/dbraw/zinc/08/37/38/1028083738.db2.gz FPXNBXBBGPXPPG-HUUCEWRRSA-N 1 0 324.808 3.686 20 5 DHBDRO Cc1c([C@@H]2CCC[N@H+]2[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000367336643 1028169407 /nfs/dbraw/zinc/16/94/07/1028169407.db2.gz WKFCDNREJGLJBM-PXAZEXFGSA-N 1 0 314.389 3.535 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000367601674 1028214463 /nfs/dbraw/zinc/21/44/63/1028214463.db2.gz GVWUSWBYJSIBOW-UHFFFAOYSA-N 1 0 311.385 3.510 20 5 DHBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000217198333 1028218627 /nfs/dbraw/zinc/21/86/27/1028218627.db2.gz YRWPFXZXMIAHDB-KRWDZBQOSA-N 1 0 314.360 3.723 20 5 DHBDRO CCC[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1C ZINC000579175109 1028339382 /nfs/dbraw/zinc/33/93/82/1028339382.db2.gz LGQRRDZJRYDZLL-UHFFFAOYSA-N 1 0 313.401 3.753 20 5 DHBDRO COCC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000579374407 1028397028 /nfs/dbraw/zinc/39/70/28/1028397028.db2.gz REDLTHJSMWIBDK-HUUCEWRRSA-N 1 0 316.357 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000369114048 1028448404 /nfs/dbraw/zinc/44/84/04/1028448404.db2.gz YTVFJOMJZXAJTR-DOTOQJQBSA-N 1 0 311.385 3.806 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449197327 1028451516 /nfs/dbraw/zinc/45/15/16/1028451516.db2.gz YYGRZYVYGMJFHQ-VXGBXAGGSA-N 1 0 317.389 3.524 20 5 DHBDRO COc1cc(C)ccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000449278710 1028504483 /nfs/dbraw/zinc/50/44/83/1028504483.db2.gz LMAKVPROXNOELJ-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000815569641 1028549854 /nfs/dbraw/zinc/54/98/54/1028549854.db2.gz BGAWLCXODLYJTQ-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1cccc([C@@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815582831 1028554776 /nfs/dbraw/zinc/55/47/76/1028554776.db2.gz QGNHBGJRPWVYMM-KBPBESRZSA-N 1 0 313.401 3.940 20 5 DHBDRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591486 1028559832 /nfs/dbraw/zinc/55/98/32/1028559832.db2.gz ITCJTXOAGWVLKV-YVEFUNNKSA-N 1 0 311.385 3.824 20 5 DHBDRO C[C@H]([NH2+]Cc1scnc1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449349156 1028560835 /nfs/dbraw/zinc/56/08/35/1028560835.db2.gz PLIPZVLPEULRET-JTQLQIEISA-N 1 0 303.387 3.780 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571250 1028567553 /nfs/dbraw/zinc/56/75/53/1028567553.db2.gz YSLKOYDZXPMRRG-NSHDSACASA-N 1 0 319.792 3.724 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000370167108 1028571915 /nfs/dbraw/zinc/57/19/15/1028571915.db2.gz JJUOIXFECBBWAG-SCLBCKFNSA-N 1 0 312.369 3.559 20 5 DHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618359 1028572616 /nfs/dbraw/zinc/57/26/16/1028572616.db2.gz JVRRICHIGYNNDV-CABZTGNLSA-N 1 0 319.327 3.805 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815648371 1028592957 /nfs/dbraw/zinc/59/29/57/1028592957.db2.gz KUQGTBDRYUVNMR-KCXAZCMYSA-N 1 0 311.385 3.631 20 5 DHBDRO CO[C@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000449499313 1028712121 /nfs/dbraw/zinc/71/21/21/1028712121.db2.gz LSXYFOSUFVJAKU-SHRNQRGKSA-N 1 0 318.417 3.745 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cncc(F)c3)C2)cc1 ZINC000449500877 1028718000 /nfs/dbraw/zinc/71/80/00/1028718000.db2.gz ONYDZMGHMCDIKY-HNNXBMFYSA-N 1 0 315.348 3.509 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cscn1 ZINC000566689015 1028766826 /nfs/dbraw/zinc/76/68/26/1028766826.db2.gz HZSBRYRAIVJULJ-RYUDHWBXSA-N 1 0 305.403 3.723 20 5 DHBDRO CCOC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000566836324 1028789760 /nfs/dbraw/zinc/78/97/60/1028789760.db2.gz RVXPRXFOOJWDKT-DLBZAZTESA-N 1 0 306.406 3.623 20 5 DHBDRO CCOC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000566836325 1028791467 /nfs/dbraw/zinc/79/14/67/1028791467.db2.gz RVXPRXFOOJWDKT-IAGOWNOFSA-N 1 0 306.406 3.623 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000042096665 1028893539 /nfs/dbraw/zinc/89/35/39/1028893539.db2.gz GRSNZHUIMRJPGY-OAHLLOKOSA-N 1 0 319.336 3.576 20 5 DHBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449673284 1028899565 /nfs/dbraw/zinc/89/95/65/1028899565.db2.gz ZCWKVDXDAWFBSX-NSHDSACASA-N 1 0 320.776 3.675 20 5 DHBDRO COC1([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000817579722 1029210623 /nfs/dbraw/zinc/21/06/23/1029210623.db2.gz DQFAPRZDJMIBHU-NSHDSACASA-N 1 0 312.797 3.686 20 5 DHBDRO C[C@@H](Nc1nccc2c1cccc2[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000450348970 1029391501 /nfs/dbraw/zinc/39/15/01/1029391501.db2.gz MSDICIUDYFAMON-GFCCVEGCSA-N 1 0 316.405 3.531 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000450676834 1029617957 /nfs/dbraw/zinc/61/79/57/1029617957.db2.gz QQBLWJSCRJNQDI-KDOFPFPSSA-N 1 0 314.385 3.503 20 5 DHBDRO CC(C)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451101743 1029795672 /nfs/dbraw/zinc/79/56/72/1029795672.db2.gz FVAFFHPQAIBSCP-WMLDXEAASA-N 1 0 305.422 3.508 20 5 DHBDRO CCC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)(C)C ZINC000451435236 1029879223 /nfs/dbraw/zinc/87/92/23/1029879223.db2.gz JCLVTFPOBWZJHU-AWEZNQCLSA-N 1 0 321.421 3.646 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000451479597 1029880178 /nfs/dbraw/zinc/88/01/78/1029880178.db2.gz NQPJXGKOUJYDHZ-NWANDNLSSA-N 1 0 324.808 3.541 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCSC1 ZINC000530529266 1029882191 /nfs/dbraw/zinc/88/21/91/1029882191.db2.gz NIYRYULRMFWRSC-RYUDHWBXSA-N 1 0 312.460 3.561 20 5 DHBDRO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451545911 1029907350 /nfs/dbraw/zinc/90/73/50/1029907350.db2.gz HVDKQKGEEXJSRT-HIFRSBDPSA-N 1 0 315.373 3.832 20 5 DHBDRO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547182 1029910756 /nfs/dbraw/zinc/91/07/56/1029910756.db2.gz KMHICDFBWBYUJH-YOEHRIQHSA-N 1 0 311.385 3.930 20 5 DHBDRO O=C1CCC(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451547626 1029912259 /nfs/dbraw/zinc/91/22/59/1029912259.db2.gz LGIGDYKOXVFOFY-INIZCTEOSA-N 1 0 316.401 3.534 20 5 DHBDRO O=C1CCC(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451547627 1029913814 /nfs/dbraw/zinc/91/38/14/1029913814.db2.gz LGIGDYKOXVFOFY-MRXNPFEDSA-N 1 0 316.401 3.534 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000467839485 1029975332 /nfs/dbraw/zinc/97/53/32/1029975332.db2.gz MXOKHFPCAXTRHV-KFWWJZLASA-N 1 0 305.422 3.508 20 5 DHBDRO CC(C)(C)OC1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000865697936 1029978124 /nfs/dbraw/zinc/97/81/24/1029978124.db2.gz HHNLOFDBXGWAFQ-UHFFFAOYSA-N 1 0 306.406 3.811 20 5 DHBDRO COC1CCC(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468747866 1029984763 /nfs/dbraw/zinc/98/47/63/1029984763.db2.gz MUBATCUWRQSXFY-UVTDQMKNSA-N 1 0 318.417 3.793 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000865781947 1030022769 /nfs/dbraw/zinc/02/27/69/1030022769.db2.gz KFUPREVIZSYQPD-GXTWGEPZSA-N 1 0 314.307 3.829 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000822539311 1030055555 /nfs/dbraw/zinc/05/55/55/1030055555.db2.gz HTLIUZCJUUVCRT-AKZRSSKFSA-N 1 0 301.173 3.790 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccsc1 ZINC000866222841 1030167290 /nfs/dbraw/zinc/16/72/90/1030167290.db2.gz ZCTPTNIFKHDJDB-NSHDSACASA-N 1 0 308.378 3.559 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267032 1030190046 /nfs/dbraw/zinc/19/00/46/1030190046.db2.gz YPSIRSXLIMMHRL-NXEZZACHSA-N 1 0 321.352 3.621 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000924796890 1030190973 /nfs/dbraw/zinc/19/09/73/1030190973.db2.gz DOUVFBWOWHBCPA-MNOVXSKESA-N 1 0 304.321 3.851 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+](C2CCCCC2)CC1 ZINC000557628837 1030225122 /nfs/dbraw/zinc/22/51/22/1030225122.db2.gz SMVNSTRSQABEEV-UHFFFAOYSA-N 1 0 321.396 3.943 20 5 DHBDRO CSc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000357859029 1030225316 /nfs/dbraw/zinc/22/53/16/1030225316.db2.gz YHMBHVYBYHPJQK-NSHDSACASA-N 1 0 303.387 3.563 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CCSCC1 ZINC000290921198 1030250929 /nfs/dbraw/zinc/25/09/29/1030250929.db2.gz QOECFJPJKSPOBS-UHFFFAOYSA-N 1 0 321.229 3.887 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC(F)F ZINC000866380924 1030267621 /nfs/dbraw/zinc/26/76/21/1030267621.db2.gz MRBQYBRPCLWXIF-ZJUUUORDSA-N 1 0 304.312 3.546 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@@H]1CCSC1)C1CC1 ZINC000866403416 1030281968 /nfs/dbraw/zinc/28/19/68/1030281968.db2.gz SWDJDKIZNVZCFX-CJNGLKHVSA-N 1 0 320.458 3.649 20 5 DHBDRO CC[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1cccc([N+](=O)[O-])c1 ZINC000925232107 1030315036 /nfs/dbraw/zinc/31/50/36/1030315036.db2.gz VYMOKNNNLKUFFR-HQVVEAJESA-N 1 0 318.417 3.983 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000866510180 1030335572 /nfs/dbraw/zinc/33/55/72/1030335572.db2.gz KMXCGUFAPXVXIF-JCKWVBRZSA-N 1 0 318.417 3.759 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000358359145 1030453296 /nfs/dbraw/zinc/45/32/96/1030453296.db2.gz ARPHUUMIQARPOA-KRWDZBQOSA-N 1 0 312.369 3.641 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2CC(F)(F)C2)o1 ZINC000291657678 1030586256 /nfs/dbraw/zinc/58/62/56/1030586256.db2.gz DOVXXTGFJVYDIN-UHFFFAOYSA-N 1 0 322.311 3.990 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccns1 ZINC000926112932 1030620103 /nfs/dbraw/zinc/62/01/03/1030620103.db2.gz JRQIZOJNHOVWOX-VIFPVBQESA-N 1 0 311.794 3.598 20 5 DHBDRO C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1(Cl)Cl ZINC000824765128 1030627661 /nfs/dbraw/zinc/62/76/61/1030627661.db2.gz HWCPVWWUEYAJPY-LLVKDONJSA-N 1 0 323.607 3.922 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC2(F)F)cc1Cl ZINC000824799069 1030642507 /nfs/dbraw/zinc/64/25/07/1030642507.db2.gz KMIJPVYTHYJVGU-SNVBAGLBSA-N 1 0 304.724 3.773 20 5 DHBDRO CCCC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000558577427 1030657352 /nfs/dbraw/zinc/65/73/52/1030657352.db2.gz MEUHGRXPPDDAAS-GFCCVEGCSA-N 1 0 310.394 3.623 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)c2cnn(C3CCC3)c2)cccc1[N+](=O)[O-] ZINC000926268594 1030680319 /nfs/dbraw/zinc/68/03/19/1030680319.db2.gz HWANSGUNRBQLFH-CYBMUJFWSA-N 1 0 314.389 3.676 20 5 DHBDRO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CC1 ZINC000123017600 1030951979 /nfs/dbraw/zinc/95/19/79/1030951979.db2.gz CFIHRBGTSCXDGC-UHFFFAOYSA-N 1 0 313.195 3.589 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cnn(C2CCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000926891770 1030972451 /nfs/dbraw/zinc/97/24/51/1030972451.db2.gz KCWXFYLDQCSZFX-OLZOCXBDSA-N 1 0 314.389 3.928 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@]13CCC[C@H]1OCC3)CCC2 ZINC000926917363 1030988071 /nfs/dbraw/zinc/98/80/71/1030988071.db2.gz ZVAUNDAJPWIKIX-KZNAEPCWSA-N 1 0 316.401 3.521 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCS1 ZINC000927028528 1031040447 /nfs/dbraw/zinc/04/04/47/1031040447.db2.gz AXPOCKXZTLMKCX-DAXOMENPSA-N 1 0 320.458 3.790 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000927032028 1031043906 /nfs/dbraw/zinc/04/39/06/1031043906.db2.gz YAOZYKFWCMIDOF-SDDRHHMPSA-N 1 0 310.419 3.538 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000927068167 1031069114 /nfs/dbraw/zinc/06/91/14/1031069114.db2.gz FIUDAUZZGHDDQN-DHSIGJKJSA-N 1 0 318.417 3.759 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)cs1 ZINC000292581782 1031083140 /nfs/dbraw/zinc/08/31/40/1031083140.db2.gz FVZIOSSHNKDMFJ-MQMHXKEQSA-N 1 0 306.362 3.831 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000927124384 1031104959 /nfs/dbraw/zinc/10/49/59/1031104959.db2.gz KOXRMGLOTCJDAP-CZUORRHYSA-N 1 0 316.401 3.664 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000927160549 1031124492 /nfs/dbraw/zinc/12/44/92/1031124492.db2.gz CRPIHKYHLHWGMB-CZUORRHYSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000844631252 1031260440 /nfs/dbraw/zinc/26/04/40/1031260440.db2.gz MNFRMKQLYJAGSX-LEWSCRJBSA-N 1 0 300.761 3.950 20 5 DHBDRO C[C@@H]([NH2+]CCCOC1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027100 1031411602 /nfs/dbraw/zinc/41/16/02/1031411602.db2.gz BWVGODGTDFWLCP-GFCCVEGCSA-N 1 0 310.369 3.734 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000872027822 1031411766 /nfs/dbraw/zinc/41/17/66/1031411766.db2.gz MHCRYLNPBKGVKA-DGCLKSJQSA-N 1 0 310.419 3.536 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nccs1 ZINC000872027696 1031412254 /nfs/dbraw/zinc/41/22/54/1031412254.db2.gz GCVPXEJFPHVMKL-SNVBAGLBSA-N 1 0 323.443 3.667 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000872041551 1031426252 /nfs/dbraw/zinc/42/62/52/1031426252.db2.gz UFEFHKWOEGYAJI-OPGSHWCFSA-N 1 0 324.446 3.661 20 5 DHBDRO CC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000872047825 1031436241 /nfs/dbraw/zinc/43/62/41/1031436241.db2.gz GLVFWWZQDMQEAO-AEFFLSMTSA-N 1 0 320.433 3.712 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)SC ZINC000872050868 1031438289 /nfs/dbraw/zinc/43/82/89/1031438289.db2.gz DEOCVZACEPZNEB-UWVGGRQHSA-N 1 0 300.449 3.719 20 5 DHBDRO C[C@H]([NH2+]C1CCC(F)(F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050783 1031438211 /nfs/dbraw/zinc/43/82/11/1031438211.db2.gz FNAPONAZMPCUFA-VIFPVBQESA-N 1 0 302.296 3.962 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(SC)CC1 ZINC000872067698 1031463193 /nfs/dbraw/zinc/46/31/93/1031463193.db2.gz RXFRBJMCEMJTHI-SNVBAGLBSA-N 1 0 312.460 3.863 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078721 1031473870 /nfs/dbraw/zinc/47/38/70/1031473870.db2.gz IRSWZGZGOHUSAP-LLVKDONJSA-N 1 0 310.369 3.590 20 5 DHBDRO COC1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872080299 1031476352 /nfs/dbraw/zinc/47/63/52/1031476352.db2.gz VKOIKKQONQYINB-DCBWTQNWSA-N 1 0 324.446 3.925 20 5 DHBDRO CC(C)OC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000872115814 1031509081 /nfs/dbraw/zinc/50/90/81/1031509081.db2.gz MFJMTGQPJFQZKL-HNNXBMFYSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000872128051 1031517166 /nfs/dbraw/zinc/51/71/66/1031517166.db2.gz AOWBRSXKQGXPCI-AWEZNQCLSA-N 1 0 318.417 3.985 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000872129840 1031520127 /nfs/dbraw/zinc/52/01/27/1031520127.db2.gz YIDOLKMFKARWMD-LTZCYQRMSA-N 1 0 324.471 3.625 20 5 DHBDRO COc1ccc([C@H](C)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000537206325 1031532314 /nfs/dbraw/zinc/53/23/14/1031532314.db2.gz IHTRMIMXFFGXRD-CQSZACIVSA-N 1 0 314.385 3.839 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282453 1031576688 /nfs/dbraw/zinc/57/66/88/1031576688.db2.gz KWGBRLDKVKDYFE-INIZCTEOSA-N 1 0 322.380 3.658 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000873080868 1031703831 /nfs/dbraw/zinc/70/38/31/1031703831.db2.gz UVLSXTQNAHHIEU-OAHLLOKOSA-N 1 0 318.417 3.793 20 5 DHBDRO COC1CCC(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873072251 1031704355 /nfs/dbraw/zinc/70/43/55/1031704355.db2.gz SCSRMKCWSBZESF-UHFFFAOYSA-N 1 0 306.406 3.506 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000873105770 1031711943 /nfs/dbraw/zinc/71/19/43/1031711943.db2.gz AZKRQVZYGVMZOJ-QZTJIDSGSA-N 1 0 318.417 3.506 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000873105772 1031712810 /nfs/dbraw/zinc/71/28/10/1031712810.db2.gz AZKRQVZYGVMZOJ-ZWKOTPCHSA-N 1 0 318.417 3.506 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[C@@H]1CCCCO1 ZINC000873106977 1031712821 /nfs/dbraw/zinc/71/28/21/1031712821.db2.gz LFVRTDOZBKFQRQ-HNNXBMFYSA-N 1 0 306.406 3.651 20 5 DHBDRO Cc1c(C[NH2+]C[C@@H]2CC23CCSCC3)cccc1[N+](=O)[O-] ZINC000873132565 1031720032 /nfs/dbraw/zinc/72/00/32/1031720032.db2.gz XSVLUFJVDOXQES-AWEZNQCLSA-N 1 0 306.431 3.526 20 5 DHBDRO Cc1cccnc1CCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873131583 1031720627 /nfs/dbraw/zinc/72/06/27/1031720627.db2.gz PTGVTHBOOBSHDJ-UHFFFAOYSA-N 1 0 313.401 3.637 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)c1ccccn1 ZINC000873129550 1031720779 /nfs/dbraw/zinc/72/07/79/1031720779.db2.gz QXWCLYLAZYUWEY-UHFFFAOYSA-N 1 0 313.401 3.674 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000873180079 1031745497 /nfs/dbraw/zinc/74/54/97/1031745497.db2.gz VQKJFVAHYVZHEX-UHFFFAOYSA-N 1 0 320.776 3.860 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H](O)c1ccccc1 ZINC000873193443 1031752319 /nfs/dbraw/zinc/75/23/19/1031752319.db2.gz CFGZWFVSIVPUGR-WMZOPIPTSA-N 1 0 314.385 3.505 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cccs2)cc1[N+](=O)[O-] ZINC000152589881 1031775497 /nfs/dbraw/zinc/77/54/97/1031775497.db2.gz WSWVRJDNEPUWTD-GFCCVEGCSA-N 1 0 320.414 3.948 20 5 DHBDRO C[C@]1(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000846037896 1031827056 /nfs/dbraw/zinc/82/70/56/1031827056.db2.gz PRLGLWLDVPKTCC-HMPZPJAKSA-N 1 0 312.772 3.902 20 5 DHBDRO C[C@]1(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000846037897 1031828806 /nfs/dbraw/zinc/82/88/06/1031828806.db2.gz PRLGLWLDVPKTCC-PGXISHIXSA-N 1 0 312.772 3.902 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000846037101 1031830667 /nfs/dbraw/zinc/83/06/67/1031830667.db2.gz YSIPUWPAMMSATJ-KGLIPLIRSA-N 1 0 300.761 3.698 20 5 DHBDRO CC1(C)C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000897800907 1031842234 /nfs/dbraw/zinc/84/22/34/1031842234.db2.gz WJHFTAJWCYCNEK-HZRUHFOJSA-N 1 0 306.431 3.872 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1cncs1 ZINC000897932145 1031875703 /nfs/dbraw/zinc/87/57/03/1031875703.db2.gz IHTYCCCUOVUAKQ-HUMZTAOYSA-N 1 0 303.387 3.805 20 5 DHBDRO C[C@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777954780 1032039609 /nfs/dbraw/zinc/03/96/09/1032039609.db2.gz PXUMZDBBFHELGG-AWEZNQCLSA-N 1 0 314.389 3.538 20 5 DHBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957504 1032042704 /nfs/dbraw/zinc/04/27/04/1032042704.db2.gz RITQDLCOJHQUAV-BBRMVZONSA-N 1 0 314.389 3.536 20 5 DHBDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCS1 ZINC000126524707 1033308245 /nfs/dbraw/zinc/30/82/45/1033308245.db2.gz OIAPJQIDFDVONH-CYBMUJFWSA-N 1 0 300.811 3.624 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000877522899 1033332517 /nfs/dbraw/zinc/33/25/17/1033332517.db2.gz DXPJGAISNGMDAG-GOSISDBHSA-N 1 0 311.385 3.944 20 5 DHBDRO CC(C)c1ccc(C[NH+]2CCC(C(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000877754989 1033431827 /nfs/dbraw/zinc/43/18/27/1033431827.db2.gz ZXTUMRMKRUUGPJ-UHFFFAOYSA-N 1 0 320.433 3.701 20 5 DHBDRO Cc1cccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172899089 1033435727 /nfs/dbraw/zinc/43/57/27/1033435727.db2.gz SXVXMOANKWLISW-GOSISDBHSA-N 1 0 310.397 3.940 20 5 DHBDRO C[C@@]1(F)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906110 1033437521 /nfs/dbraw/zinc/43/75/21/1033437521.db2.gz WILNKDKVPPEXOL-DOTOQJQBSA-N 1 0 306.381 3.666 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCc3ncccc31)CC2 ZINC001172902714 1033438179 /nfs/dbraw/zinc/43/81/79/1033438179.db2.gz LUPXSWBPTXZGHK-KXBFYZLASA-N 1 0 323.396 3.514 20 5 DHBDRO C[C@]1(F)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1F ZINC001172905815 1033438239 /nfs/dbraw/zinc/43/82/39/1033438239.db2.gz UUHYVNNSNZLTPG-PVAVHDDUSA-N 1 0 324.371 3.614 20 5 DHBDRO CC1(F)CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907120 1033440077 /nfs/dbraw/zinc/44/00/77/1033440077.db2.gz DFFFONQEZOIADX-OAHLLOKOSA-N 1 0 306.381 3.666 20 5 DHBDRO C[C@@]1(CF)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906706 1033440907 /nfs/dbraw/zinc/44/09/07/1033440907.db2.gz YAYJPEFNKBWDMG-WBVHZDCISA-N 1 0 306.381 3.524 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC3CCC1CC3)CC2 ZINC001172914145 1033462691 /nfs/dbraw/zinc/46/26/91/1033462691.db2.gz DAEPKXSVYWGXAO-IMRCBTMISA-N 1 0 300.402 3.717 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172919318 1033467474 /nfs/dbraw/zinc/46/74/74/1033467474.db2.gz FVNDVBMDCYMMAN-RHSMWYFYSA-N 1 0 302.418 3.964 20 5 DHBDRO Cc1cc2c(cn1)C[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172919888 1033467602 /nfs/dbraw/zinc/46/76/02/1033467602.db2.gz HTPWIVFQMRLZJS-SFHVURJKSA-N 1 0 323.396 3.561 20 5 DHBDRO CC[C@@H]([NH2+]CCCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000151830539 1033483683 /nfs/dbraw/zinc/48/36/83/1033483683.db2.gz QDNOHDLQMGJLJZ-CYBMUJFWSA-N 1 0 320.311 3.605 20 5 DHBDRO COC1(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000339022156 1033560040 /nfs/dbraw/zinc/56/00/40/1033560040.db2.gz KYDMHGSPYHLIHV-UHFFFAOYSA-N 1 0 304.390 3.518 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(CC3CC3)CC2)c1F ZINC001173180788 1033581093 /nfs/dbraw/zinc/58/10/93/1033581093.db2.gz TVRKCPSACNWVOX-LLVKDONJSA-N 1 0 322.380 3.596 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC001173221193 1033599539 /nfs/dbraw/zinc/59/95/39/1033599539.db2.gz GEPGCMHZCJGDMA-LBPRGKRZSA-N 1 0 302.399 3.646 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2cccc(C[NH3+])c21 ZINC001173219560 1033600636 /nfs/dbraw/zinc/60/06/36/1033600636.db2.gz DHTLOTPBWMRGNQ-CYBMUJFWSA-N 1 0 309.369 3.812 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)C(C)(C)C1 ZINC001173220777 1033600648 /nfs/dbraw/zinc/60/06/48/1033600648.db2.gz CISAEKWDGMPUDT-GFCCVEGCSA-N 1 0 312.360 3.893 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)cc(F)cc1F ZINC001173219212 1033601037 /nfs/dbraw/zinc/60/10/37/1033601037.db2.gz YYTGAVBHRVXMLJ-JTQLQIEISA-N 1 0 324.302 3.733 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c(CC[NH3+])cc2ccccc21 ZINC001173220315 1033601084 /nfs/dbraw/zinc/60/10/84/1033601084.db2.gz YCGKSISSDXVJHE-AWEZNQCLSA-N 1 0 323.396 3.854 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCc2ccccc21 ZINC001173224957 1033602312 /nfs/dbraw/zinc/60/23/12/1033602312.db2.gz POSSYEGONOWXLA-YOEHRIQHSA-N 1 0 310.397 3.845 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001173223411 1033603561 /nfs/dbraw/zinc/60/35/61/1033603561.db2.gz IPMDOMAVVJDLSS-NVXWUHKLSA-N 1 0 324.424 3.921 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2cnccc21 ZINC001173227513 1033604665 /nfs/dbraw/zinc/60/46/65/1033604665.db2.gz GPWIEMNRSKDWGL-ACJLOTCBSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncc2ccccc21 ZINC001173231419 1033605401 /nfs/dbraw/zinc/60/54/01/1033605401.db2.gz ZBGKDWIVTMBPHB-AWEZNQCLSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCc2ccccc2CC1 ZINC001173226060 1033606255 /nfs/dbraw/zinc/60/62/55/1033606255.db2.gz HIGRYSMCLJBHBY-HNNXBMFYSA-N 1 0 310.397 3.627 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC001173234723 1033608927 /nfs/dbraw/zinc/60/89/27/1033608927.db2.gz PVENXLZRZZTPOH-KBXCAEBGSA-N 1 0 310.397 3.673 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(CC[NH3+])c2ccccc21 ZINC001173212251 1033613401 /nfs/dbraw/zinc/61/34/01/1033613401.db2.gz YMPXQDSJGOAFIR-AWEZNQCLSA-N 1 0 323.396 3.854 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOc2ccccc21 ZINC001173212219 1033613888 /nfs/dbraw/zinc/61/38/88/1033613888.db2.gz XPGHUWNOBJFZCE-CXAGYDPISA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ccccc2n1 ZINC001173214176 1033614628 /nfs/dbraw/zinc/61/46/28/1033614628.db2.gz MPJKEXCLMFWKHX-AWEZNQCLSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000878374915 1033681636 /nfs/dbraw/zinc/68/16/36/1033681636.db2.gz ZKDBVRBOKHWZND-CHWSQXEVSA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1c([C@@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000479885820 1033947592 /nfs/dbraw/zinc/94/75/92/1033947592.db2.gz PGTGYGCEPNOWRC-GOEBONIOSA-N 1 0 319.449 3.818 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000800 1034178619 /nfs/dbraw/zinc/17/86/19/1034178619.db2.gz KXFPYIRUCCRRGU-GXFFZTMASA-N 1 0 302.296 3.930 20 5 DHBDRO CCOCc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178643210 1034255402 /nfs/dbraw/zinc/25/54/02/1034255402.db2.gz AWJFBPVZGOCNJB-CQSZACIVSA-N 1 0 314.385 3.982 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880465339 1034337076 /nfs/dbraw/zinc/33/70/76/1034337076.db2.gz CGQJRHXVAVZDGT-TZMCWYRMSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000794683322 1034340360 /nfs/dbraw/zinc/34/03/60/1034340360.db2.gz DFXFKWCQWNXWHX-AWEZNQCLSA-N 1 0 316.405 3.721 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000480619830 1034354168 /nfs/dbraw/zinc/35/41/68/1034354168.db2.gz BHYAQNAHDNOUKT-BMFZPTHFSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1ccc([C@@H](C)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000480658308 1034377533 /nfs/dbraw/zinc/37/75/33/1034377533.db2.gz AWQRZOPEQBDETG-HZPDHXFCSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1c([C@H](C)N[C@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000480700334 1034412380 /nfs/dbraw/zinc/41/23/80/1034412380.db2.gz QPTSYBMXRUUJET-ZBFHGGJFSA-N 1 0 319.449 3.818 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927164541 1034433422 /nfs/dbraw/zinc/43/34/22/1034433422.db2.gz XPCISRNZVXWYQI-PBHICJAKSA-N 1 0 318.417 3.607 20 5 DHBDRO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000184643730 1034489792 /nfs/dbraw/zinc/48/97/92/1034489792.db2.gz WBPDZKKEBYVJTB-LBPRGKRZSA-N 1 0 315.373 3.918 20 5 DHBDRO CCOc1cc(F)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000865418383 1034637315 /nfs/dbraw/zinc/63/73/15/1034637315.db2.gz JITJLWSWFZPJOP-LBPRGKRZSA-N 1 0 318.348 3.983 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000186566798 1034643508 /nfs/dbraw/zinc/64/35/08/1034643508.db2.gz CWARUINDMMBQEE-ZYHUDNBSSA-N 1 0 305.403 3.814 20 5 DHBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865480495 1034669760 /nfs/dbraw/zinc/66/97/60/1034669760.db2.gz NUNOPGZHSPQGAZ-NSHDSACASA-N 1 0 313.348 3.676 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2n[nH]cc21)C1CC1 ZINC000600111762 1034746502 /nfs/dbraw/zinc/74/65/02/1034746502.db2.gz LWEUQOQQZMVKKN-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC000600137198 1034763221 /nfs/dbraw/zinc/76/32/21/1034763221.db2.gz KCXDIHQCKWEGSX-GFCCVEGCSA-N 1 0 312.360 3.941 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600213446 1034808888 /nfs/dbraw/zinc/80/88/88/1034808888.db2.gz FSTCMECIOWSGJD-NJELEJDNSA-N 1 0 324.380 3.803 20 5 DHBDRO Cc1ccc([C@H](C)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000481408208 1034817943 /nfs/dbraw/zinc/81/79/43/1034817943.db2.gz SYKSAXUBGDTDDN-HNNXBMFYSA-N 1 0 319.449 3.818 20 5 DHBDRO CC(C)(C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000555743598 1034883734 /nfs/dbraw/zinc/88/37/34/1034883734.db2.gz GEEPGVHBBUVXIS-KBPBESRZSA-N 1 0 308.426 3.691 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)[C@@]23C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC001175293001 1034903496 /nfs/dbraw/zinc/90/34/96/1034903496.db2.gz TVDGMCOVENRIAE-HACGYAERSA-N 1 0 304.390 3.662 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000159949390 1035119616 /nfs/dbraw/zinc/11/96/16/1035119616.db2.gz GJISMUITUJLLII-HOCLYGCPSA-N 1 0 306.406 3.983 20 5 DHBDRO Cc1ccc([C@@H](C)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000482630805 1035149748 /nfs/dbraw/zinc/14/97/48/1035149748.db2.gz MVVDWHQVVZKENP-OWCLPIDISA-N 1 0 319.449 3.817 20 5 DHBDRO [NH3+]Cc1ccc(Nc2cccc3nc4ccccc4nc32)cc1 ZINC001175970933 1035169430 /nfs/dbraw/zinc/16/94/30/1035169430.db2.gz OLBZXVKYWOETPE-UHFFFAOYSA-N 1 0 300.365 3.985 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000483489905 1035273450 /nfs/dbraw/zinc/27/34/50/1035273450.db2.gz HDELKWCRNYXWIG-HNNXBMFYSA-N 1 0 317.433 3.606 20 5 DHBDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001176657008 1035315706 /nfs/dbraw/zinc/31/57/06/1035315706.db2.gz MXUQCFQVSJGABW-MRXNPFEDSA-N 1 0 311.385 3.758 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000484138202 1035322243 /nfs/dbraw/zinc/32/22/43/1035322243.db2.gz OLWFVEIMMMAPDP-RHSMWYFYSA-N 1 0 308.422 3.741 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC001177624843 1035385547 /nfs/dbraw/zinc/38/55/47/1035385547.db2.gz WAEMBMCNSWLXLK-SFHVURJKSA-N 1 0 320.433 3.749 20 5 DHBDRO CC(C)([NH3+])c1ccc(NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000904470819 1035418411 /nfs/dbraw/zinc/41/84/11/1035418411.db2.gz QSMXTEZYAJDJLR-UHFFFAOYSA-N 1 0 303.337 3.540 20 5 DHBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)C1(C)C ZINC001179962934 1035563044 /nfs/dbraw/zinc/56/30/44/1035563044.db2.gz UPDWRBTUXOVUOX-FUHWJXTLSA-N 1 0 320.433 3.847 20 5 DHBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)C1(C)C ZINC001179962933 1035563087 /nfs/dbraw/zinc/56/30/87/1035563087.db2.gz UPDWRBTUXOVUOX-AEFFLSMTSA-N 1 0 320.433 3.847 20 5 DHBDRO CCCC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001193223573 1035590852 /nfs/dbraw/zinc/59/08/52/1035590852.db2.gz BVWRGSMXBRLVRY-OAHLLOKOSA-N 1 0 306.406 3.922 20 5 DHBDRO CN(Cc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCCCC1 ZINC001193616052 1035677115 /nfs/dbraw/zinc/67/71/15/1035677115.db2.gz IBVSLDGICGZFAP-UHFFFAOYSA-N 1 0 319.449 3.681 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000386170135 1035721391 /nfs/dbraw/zinc/72/13/91/1035721391.db2.gz MOBXXJOMZMBBDU-QZTJIDSGSA-N 1 0 320.433 3.967 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000386170136 1035722063 /nfs/dbraw/zinc/72/20/63/1035722063.db2.gz MOBXXJOMZMBBDU-ROUUACIJSA-N 1 0 320.433 3.967 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000539508640 1035762000 /nfs/dbraw/zinc/76/20/00/1035762000.db2.gz XFGQRTCUVZDOCG-HUUCEWRRSA-N 1 0 320.433 3.743 20 5 DHBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089904021 1035784084 /nfs/dbraw/zinc/78/40/84/1035784084.db2.gz IJNBQLTZYIPSSE-QWHCGFSZSA-N 1 0 315.373 3.870 20 5 DHBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)[C@H]1OC ZINC001194093280 1035843327 /nfs/dbraw/zinc/84/33/27/1035843327.db2.gz UDSRESFVIYQPKY-IUIKQTSFSA-N 1 0 324.396 3.663 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000193023921 1035862415 /nfs/dbraw/zinc/86/24/15/1035862415.db2.gz NTRIJRLEXVJJDD-HNNXBMFYSA-N 1 0 314.341 3.564 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000539829627 1035888191 /nfs/dbraw/zinc/88/81/91/1035888191.db2.gz PUWYCCHLTAAPSH-WMZOPIPTSA-N 1 0 308.381 3.757 20 5 DHBDRO C[C@H]1CSCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000539841154 1035898390 /nfs/dbraw/zinc/89/83/90/1035898390.db2.gz RHVHFHMJWCJAGU-LBPRGKRZSA-N 1 0 318.398 3.792 20 5 DHBDRO COc1cc(C[N@H+](C)Cc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000485733594 1035921373 /nfs/dbraw/zinc/92/13/73/1035921373.db2.gz BBYXSXCEJSRCOK-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000251927080 1036052066 /nfs/dbraw/zinc/05/20/66/1036052066.db2.gz STVJMESKOQTPDK-TWMKSMIVSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000152922823 1036065076 /nfs/dbraw/zinc/06/50/76/1036065076.db2.gz FULWTOIFTFIKJW-KRWDZBQOSA-N 1 0 316.357 3.514 20 5 DHBDRO CCC[C@@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC001181988400 1036067152 /nfs/dbraw/zinc/06/71/52/1036067152.db2.gz ZYLAVFSDALHNPE-LBPRGKRZSA-N 1 0 320.311 3.518 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2[nH]1 ZINC000775627558 1036106152 /nfs/dbraw/zinc/10/61/52/1036106152.db2.gz JSTCPIKWMZDUFS-CYBMUJFWSA-N 1 0 309.369 3.969 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC000540607328 1036115151 /nfs/dbraw/zinc/11/51/51/1036115151.db2.gz NDHOUCAESDWMAF-HUUCEWRRSA-N 1 0 320.433 3.743 20 5 DHBDRO Cc1noc(C[N@@H+]2CC[C@H]([C@@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000595558962 1036233874 /nfs/dbraw/zinc/23/38/74/1036233874.db2.gz RMDKHNONOLJFMC-STQMWFEESA-N 1 0 307.394 3.539 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C/C(C)=C\c1ccccc1 ZINC000541385752 1036317930 /nfs/dbraw/zinc/31/79/30/1036317930.db2.gz IHHBBQKMTFOHFZ-UVTDQMKNSA-N 1 0 312.369 3.797 20 5 DHBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775680819 1036412196 /nfs/dbraw/zinc/41/21/96/1036412196.db2.gz GWJSTDCMQFGFIW-COXVUDFISA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCCO1 ZINC000541773699 1036429587 /nfs/dbraw/zinc/42/95/87/1036429587.db2.gz JIECYZXGXATJST-KRWDZBQOSA-N 1 0 306.406 3.684 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000464782356 1036455096 /nfs/dbraw/zinc/45/50/96/1036455096.db2.gz YLYJJKHJEXRBGA-GDBMZVCRSA-N 1 0 324.446 3.580 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000464782367 1036454783 /nfs/dbraw/zinc/45/47/83/1036454783.db2.gz YLYJJKHJEXRBGA-HOCLYGCPSA-N 1 0 324.446 3.580 20 5 DHBDRO CS[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542000489 1036485617 /nfs/dbraw/zinc/48/56/17/1036485617.db2.gz NHHGADYUPTYJNJ-ZDUSSCGKSA-N 1 0 314.838 3.966 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC001182948712 1036487020 /nfs/dbraw/zinc/48/70/20/1036487020.db2.gz CTADSULCFUZZCQ-KGLIPLIRSA-N 1 0 306.431 3.682 20 5 DHBDRO COc1cccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000271714299 1036490120 /nfs/dbraw/zinc/49/01/20/1036490120.db2.gz VOGULCZYRLMRPB-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000542092721 1036507653 /nfs/dbraw/zinc/50/76/53/1036507653.db2.gz PGVYAMLXUXGJGE-NWDGAFQWSA-N 1 0 320.414 3.572 20 5 DHBDRO CS[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC001183146221 1036524794 /nfs/dbraw/zinc/52/47/94/1036524794.db2.gz RJIDJVLKRZKXOT-MIGQKNRLSA-N 1 0 320.458 3.790 20 5 DHBDRO C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001196606747 1036572540 /nfs/dbraw/zinc/57/25/40/1036572540.db2.gz WOEHUBWSFRODOM-RDFMZFSFSA-N 1 0 304.390 3.782 20 5 DHBDRO CCOc1cc(C[N@H+](C)C[C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000491651944 1036618200 /nfs/dbraw/zinc/61/82/00/1036618200.db2.gz DICVEWFJVFCMBQ-AWEZNQCLSA-N 1 0 304.390 3.782 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC000271902792 1036643379 /nfs/dbraw/zinc/64/33/79/1036643379.db2.gz VYYACGRXGPELGD-WBMJQRKESA-N 1 0 312.369 3.942 20 5 DHBDRO CC[C@H](c1ccc(F)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495470888 1036669124 /nfs/dbraw/zinc/66/91/24/1036669124.db2.gz REPKIHJXCXNLSH-QGZVFWFLSA-N 1 0 315.348 3.638 20 5 DHBDRO C[C@@H]([NH2+]C1CCC2(CSC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001183780507 1036673674 /nfs/dbraw/zinc/67/36/74/1036673674.db2.gz WQDONYRHUAOPLG-GFCCVEGCSA-N 1 0 306.431 3.921 20 5 DHBDRO CCOc1cc(CSCC[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000491929032 1036676136 /nfs/dbraw/zinc/67/61/36/1036676136.db2.gz GUGNMLMFEXPACN-UHFFFAOYSA-N 1 0 312.435 3.569 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C3CCC3)CC2)cc1 ZINC001197202079 1036707624 /nfs/dbraw/zinc/70/76/24/1036707624.db2.gz LORFEQRAMPSWAC-CRAIPNDOSA-N 1 0 318.417 3.530 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000492626172 1036946770 /nfs/dbraw/zinc/94/67/70/1036946770.db2.gz ADUDZTSSWMVBJP-LSDHHAIUSA-N 1 0 304.390 3.758 20 5 DHBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c(F)c1 ZINC001198277154 1036988422 /nfs/dbraw/zinc/98/84/22/1036988422.db2.gz BANSMONXXSGPNP-SJCJKPOMSA-N 1 0 322.355 3.884 20 5 DHBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CCCCC1 ZINC000774826006 1037018977 /nfs/dbraw/zinc/01/89/77/1037018977.db2.gz JZFNQSQCKPFORH-UHFFFAOYSA-N 1 0 307.350 3.515 20 5 DHBDRO COc1cc(C[NH2+]C(C)(C)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000492850283 1037042202 /nfs/dbraw/zinc/04/22/02/1037042202.db2.gz FTLMQMARQNVTKN-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO CC[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000315822187 1037057915 /nfs/dbraw/zinc/05/79/15/1037057915.db2.gz FSQJXUNRKZTQQQ-BLDCVEFLSA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000322591622 1037224458 /nfs/dbraw/zinc/22/44/58/1037224458.db2.gz GHVVHJMDNMWXGH-KRWDZBQOSA-N 1 0 312.369 3.776 20 5 DHBDRO CCN(CCC[NH+](C)C)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001186132542 1037319853 /nfs/dbraw/zinc/31/98/53/1037319853.db2.gz WEKFUNSXMVWEDQ-UHFFFAOYSA-N 1 0 320.220 3.680 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccc(F)c2)cc1Cl ZINC000761523609 1037340960 /nfs/dbraw/zinc/34/09/60/1037340960.db2.gz VRKOUUOXSNMGLY-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761521599 1037345674 /nfs/dbraw/zinc/34/56/74/1037345674.db2.gz IVMPTEPYLOCRQD-UHFFFAOYSA-N 1 0 320.776 3.937 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)cc1Cl ZINC000761526506 1037347673 /nfs/dbraw/zinc/34/76/73/1037347673.db2.gz NXRBTNDHBIZLTJ-GDBMZVCRSA-N 1 0 316.788 3.969 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1 ZINC000761525336 1037351949 /nfs/dbraw/zinc/35/19/49/1037351949.db2.gz GTQGBXYVIISFPU-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC001186405361 1037390080 /nfs/dbraw/zinc/39/00/80/1037390080.db2.gz KACVZGOSHUGNAP-PWSUYJOCSA-N 1 0 309.391 3.791 20 5 DHBDRO COc1cccc(C2([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000150890043 1037525215 /nfs/dbraw/zinc/52/52/15/1037525215.db2.gz BZQGGUVOGSPYKR-FNORWQNLSA-N 1 0 324.380 3.896 20 5 DHBDRO CC(C)CCOCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490042578 1037593946 /nfs/dbraw/zinc/59/39/46/1037593946.db2.gz IWUVJKUASFMMMK-UHFFFAOYSA-N 1 0 306.406 3.622 20 5 DHBDRO CC(C)[N@@H+]1CC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301124891 1037661737 /nfs/dbraw/zinc/66/17/37/1037661737.db2.gz PILWUYKQBZKHAO-NSHDSACASA-N 1 0 317.311 3.508 20 5 DHBDRO CCC[NH+](CCC)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000913058231 1037716564 /nfs/dbraw/zinc/71/65/64/1037716564.db2.gz UZXQABNQLYFMJK-UHFFFAOYSA-N 1 0 309.391 3.951 20 5 DHBDRO CC[C@H](C)[C@@H](C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154010724 1037769909 /nfs/dbraw/zinc/76/99/09/1037769909.db2.gz HLPGKZISNNWETR-AHIWAGSCSA-N 1 0 306.406 3.527 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(c2ccccn2)CCC1 ZINC000586783044 1037966680 /nfs/dbraw/zinc/96/66/80/1037966680.db2.gz NYKVVHLAETUJFU-YVMONPNESA-N 1 0 323.396 3.715 20 5 DHBDRO CCc1nc(C)c(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)o1 ZINC000494292761 1038040129 /nfs/dbraw/zinc/04/01/29/1038040129.db2.gz IZVHILVWABJMBW-WQLSENKSSA-N 1 0 315.373 3.647 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000609195608 1038073051 /nfs/dbraw/zinc/07/30/51/1038073051.db2.gz RZFHFKTWGCHWFM-MRXNPFEDSA-N 1 0 304.390 3.756 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COc2ccccc2C1 ZINC000164320092 1038151474 /nfs/dbraw/zinc/15/14/74/1038151474.db2.gz KTQJTCDDJWNLFP-DZGCQCFKSA-N 1 0 312.369 3.558 20 5 DHBDRO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC000760687598 1038282539 /nfs/dbraw/zinc/28/25/39/1038282539.db2.gz HMARUYGPZXAVTR-UHFFFAOYSA-N 1 0 319.792 3.977 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000588953978 1038417280 /nfs/dbraw/zinc/41/72/80/1038417280.db2.gz RTFKIXLBVATVAY-SJCJKPOMSA-N 1 0 312.369 3.942 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2cnccc21 ZINC000589183805 1038444461 /nfs/dbraw/zinc/44/44/61/1038444461.db2.gz QTADRDMJZQMWDA-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000590203762 1038604634 /nfs/dbraw/zinc/60/46/34/1038604634.db2.gz ZCOTXRDAFDVAOK-LSDHHAIUSA-N 1 0 304.390 3.614 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590601957 1038676398 /nfs/dbraw/zinc/67/63/98/1038676398.db2.gz UFHIDMTXLRNZMG-GOEBONIOSA-N 1 0 311.385 3.930 20 5 DHBDRO C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757329 1038699569 /nfs/dbraw/zinc/69/95/69/1038699569.db2.gz PXFPTEAHWGEMIS-RHSMWYFYSA-N 1 0 311.385 3.930 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C2CC2)cc1 ZINC001192927888 1038721914 /nfs/dbraw/zinc/72/19/14/1038721914.db2.gz CZNQAGMOGGTJFX-OAGGEKHMSA-N 1 0 300.402 3.995 20 5 DHBDRO CCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000224744421 1038727798 /nfs/dbraw/zinc/72/77/98/1038727798.db2.gz DHMNTJINHNHDJD-UHFFFAOYSA-N 1 0 306.387 3.517 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(Cc2ccsc2)C1 ZINC000598679108 1038820472 /nfs/dbraw/zinc/82/04/72/1038820472.db2.gz XIUZQBXXWKLWKE-HYXAFXHYSA-N 1 0 314.410 3.844 20 5 DHBDRO CC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)[C@H](C)C(C)C ZINC000761290084 1038884022 /nfs/dbraw/zinc/88/40/22/1038884022.db2.gz KVKYMBCRTXXOEG-CYBMUJFWSA-N 1 0 304.394 3.577 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cs1 ZINC000598989913 1038969151 /nfs/dbraw/zinc/96/91/51/1038969151.db2.gz VNSOJJCJOXAHKB-VHDGCEQUSA-N 1 0 320.801 3.738 20 5 DHBDRO CC[C@@H](OCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000593663794 1038993839 /nfs/dbraw/zinc/99/38/39/1038993839.db2.gz ASPXXSDNKLXCJU-OAHLLOKOSA-N 1 0 320.414 3.914 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599064135 1039020637 /nfs/dbraw/zinc/02/06/37/1039020637.db2.gz KHLGSEVHASXTMG-KBXCAEBGSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599065721 1039021468 /nfs/dbraw/zinc/02/14/68/1039021468.db2.gz PWZYYUYQJMSBEL-KSSFIOAISA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599065717 1039022343 /nfs/dbraw/zinc/02/23/43/1039022343.db2.gz PWZYYUYQJMSBEL-KBXCAEBGSA-N 1 0 317.433 3.652 20 5 DHBDRO CC[C@H]([NH2+]CCc1ncc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000592097738 1039119109 /nfs/dbraw/zinc/11/91/09/1039119109.db2.gz JWMCLDMRZBQFPQ-KRWDZBQOSA-N 1 0 313.401 3.890 20 5 DHBDRO CC(C)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000592387502 1039186368 /nfs/dbraw/zinc/18/63/68/1039186368.db2.gz MQFPLAWMNCYPCO-GOSISDBHSA-N 1 0 313.401 3.909 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccccc2[N+](=O)[O-])C1 ZINC000603860658 1039195347 /nfs/dbraw/zinc/19/53/47/1039195347.db2.gz OPZFRJIMWPAWMC-GASCZTMLSA-N 1 0 305.422 3.765 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+](C2CC2)C2CC2)c1 ZINC000599600692 1039231266 /nfs/dbraw/zinc/23/12/66/1039231266.db2.gz WVAIJCBXRUILTN-UHFFFAOYSA-N 1 0 300.280 3.740 20 5 DHBDRO CCn1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C(C)C)cn1 ZINC000593081304 1039426660 /nfs/dbraw/zinc/42/66/60/1039426660.db2.gz LZCGBIBYTCHFEF-UHFFFAOYSA-N 1 0 316.405 3.530 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(C4CCC4)CC3)co2)cc1 ZINC000593083066 1039430032 /nfs/dbraw/zinc/43/00/32/1039430032.db2.gz UGEUFQASEFEIMV-UHFFFAOYSA-N 1 0 313.357 3.672 20 5 DHBDRO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000592397891 1039444345 /nfs/dbraw/zinc/44/43/45/1039444345.db2.gz GECJXAABWCNFDP-XZJROXQQSA-N 1 0 306.431 3.846 20 5 DHBDRO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000592397877 1039445407 /nfs/dbraw/zinc/44/54/07/1039445407.db2.gz GECJXAABWCNFDP-IUIKQTSFSA-N 1 0 306.431 3.846 20 5 DHBDRO O=[N+]([O-])c1sccc1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000604433430 1039475080 /nfs/dbraw/zinc/47/50/80/1039475080.db2.gz YAOZLIHEMUAWIZ-UHFFFAOYSA-N 1 0 317.414 3.864 20 5 DHBDRO COc1ccccc1CC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000075716790 1039483122 /nfs/dbraw/zinc/48/31/22/1039483122.db2.gz RNSPRZHETKNQOT-AWEZNQCLSA-N 1 0 314.385 3.839 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(F)cc3)CCC2)cc1 ZINC000604564806 1039497906 /nfs/dbraw/zinc/49/79/06/1039497906.db2.gz LQQLBOZPYATZJD-UHFFFAOYSA-N 1 0 300.333 3.903 20 5 DHBDRO Cc1nc(C)c(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000157947639 1039741966 /nfs/dbraw/zinc/74/19/66/1039741966.db2.gz CPBWTEMXCSWXKY-LLVKDONJSA-N 1 0 319.430 3.870 20 5 DHBDRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594489968 1039792197 /nfs/dbraw/zinc/79/21/97/1039792197.db2.gz IITRKPDVHWCYPI-BLLLJJGKSA-N 1 0 312.369 3.942 20 5 DHBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495003 1039798008 /nfs/dbraw/zinc/79/80/08/1039798008.db2.gz JYQAXCUTEKTAKI-XPTSAGLGSA-N 1 0 301.346 3.538 20 5 DHBDRO COc1c(C)cccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594510057 1039812665 /nfs/dbraw/zinc/81/26/65/1039812665.db2.gz NZHPQICRYQUBDT-INIZCTEOSA-N 1 0 312.369 3.689 20 5 DHBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594508547 1039813034 /nfs/dbraw/zinc/81/30/34/1039813034.db2.gz UGDOTKYTBTUBAE-TYNCELHUSA-N 1 0 304.390 3.518 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594510821 1039813620 /nfs/dbraw/zinc/81/36/20/1039813620.db2.gz LGXSHXGIZVCQRH-SZMVWBNQSA-N 1 0 316.401 3.519 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594512897 1039817711 /nfs/dbraw/zinc/81/77/11/1039817711.db2.gz SPOJYQJDTQOFQY-DOPJRALCSA-N 1 0 318.417 3.902 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000594519700 1039823019 /nfs/dbraw/zinc/82/30/19/1039823019.db2.gz SSWATBGHUHRDCE-IHRRRGAJSA-N 1 0 306.406 3.900 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594520369 1039830023 /nfs/dbraw/zinc/83/00/23/1039830023.db2.gz NPACSSBLGGIFRY-ZVZYQTTQSA-N 1 0 320.433 3.853 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000594523880 1039830243 /nfs/dbraw/zinc/83/02/43/1039830243.db2.gz UPXZNRBFZJQLFD-BIENSFFJSA-N 1 0 316.401 3.689 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594520367 1039831336 /nfs/dbraw/zinc/83/13/36/1039831336.db2.gz NPACSSBLGGIFRY-QILLFSRXSA-N 1 0 320.433 3.853 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1F ZINC000594020162 1039948618 /nfs/dbraw/zinc/94/86/18/1039948618.db2.gz ZBKYXBKUEPPSDT-OAHLLOKOSA-N 1 0 318.348 3.983 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026293 1039950696 /nfs/dbraw/zinc/95/06/96/1039950696.db2.gz IJASOMHFLJLWRP-UKRRQHHQSA-N 1 0 304.390 3.689 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026291 1039951295 /nfs/dbraw/zinc/95/12/95/1039951295.db2.gz IJASOMHFLJLWRP-DZGCQCFKSA-N 1 0 304.390 3.689 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027744 1039954602 /nfs/dbraw/zinc/95/46/02/1039954602.db2.gz ZFXLKPYNJPRCOU-WMLDXEAASA-N 1 0 318.417 3.998 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)c1ccccn1 ZINC000594952305 1039962060 /nfs/dbraw/zinc/96/20/60/1039962060.db2.gz BJHDNTQYFRXRRG-BAAYTWLHSA-N 1 0 311.385 3.786 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnccc1C ZINC000594965777 1039970430 /nfs/dbraw/zinc/97/04/30/1039970430.db2.gz DKCFSAYJPDFNPW-UVTDQMKNSA-N 1 0 311.385 3.534 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000595023488 1039984042 /nfs/dbraw/zinc/98/40/42/1039984042.db2.gz ZJJWQKUCJUHAEI-NHYWBVRUSA-N 1 0 310.419 3.540 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000594994277 1040010027 /nfs/dbraw/zinc/01/00/27/1040010027.db2.gz JDSZSRMRROBTMF-HZPDHXFCSA-N 1 0 312.369 3.639 20 5 DHBDRO CC1(C)C[C@@]1(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594996439 1040010063 /nfs/dbraw/zinc/01/00/63/1040010063.db2.gz NIQSLXVFAKRYJB-MRXNPFEDSA-N 1 0 317.414 3.997 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000594043810 1040014588 /nfs/dbraw/zinc/01/45/88/1040014588.db2.gz OYEKVMXBEROQCP-HUUCEWRRSA-N 1 0 312.797 3.686 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccncc1 ZINC000595029390 1040035720 /nfs/dbraw/zinc/03/57/20/1040035720.db2.gz XZSSURQOCFAMKB-LRDDRELGSA-N 1 0 315.373 3.800 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(C(F)F)nc1 ZINC000595029362 1040037774 /nfs/dbraw/zinc/03/77/74/1040037774.db2.gz XGUHXERYSLSIQX-NSHDSACASA-N 1 0 321.327 3.821 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000595036941 1040042357 /nfs/dbraw/zinc/04/23/57/1040042357.db2.gz XXGYOOOQZATYCM-SNVBAGLBSA-N 1 0 314.332 3.832 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000595034029 1040042588 /nfs/dbraw/zinc/04/25/88/1040042588.db2.gz ORKTWIGTNOKCSR-XHDPSFHLSA-N 1 0 322.405 3.600 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000595041578 1040045847 /nfs/dbraw/zinc/04/58/47/1040045847.db2.gz CNDPIRSCKHROQP-UWVGGRQHSA-N 1 0 302.321 3.545 20 5 DHBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000595047305 1040047245 /nfs/dbraw/zinc/04/72/45/1040047245.db2.gz CXJGKROKVZININ-UGSOOPFHSA-N 1 0 311.385 3.761 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)c1ccccn1 ZINC000595049700 1040051153 /nfs/dbraw/zinc/05/11/53/1040051153.db2.gz NKBSWKLLKQAMDC-LSDHHAIUSA-N 1 0 313.401 3.704 20 5 DHBDRO C[C@@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(F)F ZINC000595078736 1040072334 /nfs/dbraw/zinc/07/23/34/1040072334.db2.gz DSABELUCFOJKAD-ZFWWWQNUSA-N 1 0 310.344 3.551 20 5 DHBDRO COCc1csc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000595079828 1040073409 /nfs/dbraw/zinc/07/34/09/1040073409.db2.gz ZGWWIWYHAUMCBS-GFCCVEGCSA-N 1 0 320.414 3.962 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ccc(O)cc31)CCC2 ZINC000595089268 1040074812 /nfs/dbraw/zinc/07/48/12/1040074812.db2.gz NBUPKCFQPFXZCD-MOPGFXCFSA-N 1 0 324.380 3.955 20 5 DHBDRO Cc1noc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000595318222 1040109275 /nfs/dbraw/zinc/10/92/75/1040109275.db2.gz SLXWRFKCBVXFRO-GFCCVEGCSA-N 1 0 321.764 3.534 20 5 DHBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC(F)CC1 ZINC000595818311 1040249340 /nfs/dbraw/zinc/24/93/40/1040249340.db2.gz GZQPHCAFODJTPZ-VOMCLLRMSA-N 1 0 321.352 3.742 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595788267 1040252280 /nfs/dbraw/zinc/25/22/80/1040252280.db2.gz HXAVPYIEVWQWRP-HFTRVMKXSA-N 1 0 318.417 3.937 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](C4CCC4)C3)nc2c1 ZINC000595831556 1040264601 /nfs/dbraw/zinc/26/46/01/1040264601.db2.gz FTHDUDGOCWYCML-CYBMUJFWSA-N 1 0 315.373 3.748 20 5 DHBDRO Cc1cc(N(C)CC2=CCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596552549 1040485889 /nfs/dbraw/zinc/48/58/89/1040485889.db2.gz FIXUYDDFYONPDN-UHFFFAOYSA-N 1 0 315.398 3.561 20 5 DHBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000064029297 1040642233 /nfs/dbraw/zinc/64/22/33/1040642233.db2.gz UFKFJUVJYNKGPP-UHFFFAOYSA-N 1 0 305.403 3.590 20 5 DHBDRO CC(C)c1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000597118007 1040655492 /nfs/dbraw/zinc/65/54/92/1040655492.db2.gz SZNWHCHPRMXRAO-UHFFFAOYSA-N 1 0 324.384 3.884 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593319079 1040716986 /nfs/dbraw/zinc/71/69/86/1040716986.db2.gz JERLWDWDHSPJOM-WBVHZDCISA-N 1 0 311.385 3.672 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593319077 1040717043 /nfs/dbraw/zinc/71/70/43/1040717043.db2.gz JERLWDWDHSPJOM-NVXWUHKLSA-N 1 0 311.385 3.672 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH3+])c2ccccc21 ZINC000601963008 1040844256 /nfs/dbraw/zinc/84/42/56/1040844256.db2.gz HYSFTDNZSTWDFN-UONOGXRCSA-N 1 0 311.385 3.608 20 5 DHBDRO C[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000602020369 1040855728 /nfs/dbraw/zinc/85/57/28/1040855728.db2.gz KKDQEUCWSVNSRB-HIFRSBDPSA-N 1 0 311.385 3.845 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCC4(CC4)CC3)nc2c1 ZINC000602635461 1041136611 /nfs/dbraw/zinc/13/66/11/1041136611.db2.gz YYDQHQUCNPECAG-UHFFFAOYSA-N 1 0 301.346 3.548 20 5 DHBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602703979 1041170455 /nfs/dbraw/zinc/17/04/55/1041170455.db2.gz UUDBGPAJDRJSMV-KCJUWKMLSA-N 1 0 320.336 3.597 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCC3(CC3(F)F)CC2)cc1 ZINC000602717760 1041175181 /nfs/dbraw/zinc/17/51/81/1041175181.db2.gz AVAIDKPOFXUBOG-UHFFFAOYSA-N 1 0 310.344 3.695 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(Cc3nccs3)CC2)c1 ZINC000602733188 1041188001 /nfs/dbraw/zinc/18/80/01/1041188001.db2.gz KUAGWFMCQGUDDH-UHFFFAOYSA-N 1 0 317.414 3.506 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000602948634 1041321788 /nfs/dbraw/zinc/32/17/88/1041321788.db2.gz CKLSSIRPEMODRP-HNNXBMFYSA-N 1 0 317.433 3.606 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC=CCC3)cs2)c1 ZINC000076771150 185039207 /nfs/dbraw/zinc/03/92/07/185039207.db2.gz AJOLAKSDWIMOFM-ZDUSSCGKSA-N 1 0 315.398 3.917 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000186753946 200004334 /nfs/dbraw/zinc/00/43/34/200004334.db2.gz SRCXHKPDLCYHPZ-FZMZJTMJSA-N 1 0 305.403 3.896 20 5 DHBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000042555430 183283858 /nfs/dbraw/zinc/28/38/58/183283858.db2.gz CXVLWZYYBFCGDL-NXEZZACHSA-N 1 0 315.211 3.882 20 5 DHBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000042553888 183284391 /nfs/dbraw/zinc/28/43/91/183284391.db2.gz LVEPZFOKAIFUQB-ZJUUUORDSA-N 1 0 315.211 3.882 20 5 DHBDRO CC(C)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000119651846 195010281 /nfs/dbraw/zinc/01/02/81/195010281.db2.gz OJWCGXHDACQDOO-UHFFFAOYSA-N 1 0 312.797 3.638 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](C)C1 ZINC000271454789 129918010 /nfs/dbraw/zinc/91/80/10/129918010.db2.gz GQTOFQNZFVNOJO-MCIONIFRSA-N 1 0 324.446 3.623 20 5 DHBDRO Cc1nc(C)c([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000271502293 129925566 /nfs/dbraw/zinc/92/55/66/129925566.db2.gz MFOSWSAPQUELQZ-JTQLQIEISA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1nc(C)c([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000271502299 129925939 /nfs/dbraw/zinc/92/59/39/129925939.db2.gz MFOSWSAPQUELQZ-SNVBAGLBSA-N 1 0 305.403 3.561 20 5 DHBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000273123067 130091013 /nfs/dbraw/zinc/09/10/13/130091013.db2.gz ZZMXQHJRDSBMOV-RYUDHWBXSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000273450078 130123604 /nfs/dbraw/zinc/12/36/04/130123604.db2.gz YRFIHENIWAOROL-INIZCTEOSA-N 1 0 318.417 3.875 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC(F)(F)C1 ZINC000277067681 130576765 /nfs/dbraw/zinc/57/67/65/130576765.db2.gz INNSHHYUHVSIMU-JTQLQIEISA-N 1 0 316.373 3.853 20 5 DHBDRO Cc1nc(C)c(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000278644122 130709697 /nfs/dbraw/zinc/70/96/97/130709697.db2.gz HSPNOBZAUKWSTE-OAHLLOKOSA-N 1 0 317.414 3.835 20 5 DHBDRO C[C@@H]1C[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000279018449 130730913 /nfs/dbraw/zinc/73/09/13/130730913.db2.gz HLYCHYXAGUTOFV-IGCXYCKISA-N 1 0 318.417 3.722 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000281988328 130895877 /nfs/dbraw/zinc/89/58/77/130895877.db2.gz ICZJRPHVOMMNQJ-CJNGLKHVSA-N 1 0 304.390 3.595 20 5 DHBDRO Cc1ccnc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000286180093 131223986 /nfs/dbraw/zinc/22/39/86/131223986.db2.gz QIRGXYKOJNEJIU-GFCCVEGCSA-N 1 0 319.792 3.845 20 5 DHBDRO Cc1cccc(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000287452654 131280388 /nfs/dbraw/zinc/28/03/88/131280388.db2.gz LLYITYSDRMZSLW-OAHLLOKOSA-N 1 0 313.401 3.890 20 5 DHBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000287438290 131280933 /nfs/dbraw/zinc/28/09/33/131280933.db2.gz KXDNEGYESQOVQN-XNJGSVPQSA-N 1 0 318.417 3.579 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC(C)(C)C1 ZINC000289365416 131379063 /nfs/dbraw/zinc/37/90/63/131379063.db2.gz ATMUBYBWVAHOIL-CQSZACIVSA-N 1 0 310.369 3.513 20 5 DHBDRO COCc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000121424597 132155591 /nfs/dbraw/zinc/15/55/91/132155591.db2.gz WNVLAAPKABGZFV-CYBMUJFWSA-N 1 0 300.358 3.592 20 5 DHBDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000538445160 331611031 /nfs/dbraw/zinc/61/10/31/331611031.db2.gz GXTZSNCKGNKSJG-YVEFUNNKSA-N 1 0 318.348 3.600 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000078635496 331675088 /nfs/dbraw/zinc/67/50/88/331675088.db2.gz NCQAJGBFFPWXAL-QGZVFWFLSA-N 1 0 300.358 3.844 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000558257269 331889967 /nfs/dbraw/zinc/88/99/67/331889967.db2.gz YARGJOULRRTPFA-KBPBESRZSA-N 1 0 314.307 3.892 20 5 DHBDRO C[C@@H](c1ccco1)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000086235954 332019658 /nfs/dbraw/zinc/01/96/58/332019658.db2.gz MFLKQMYGTQDPJL-ZDUSSCGKSA-N 1 0 300.358 3.956 20 5 DHBDRO CCOCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000559323241 332025368 /nfs/dbraw/zinc/02/53/68/332025368.db2.gz XASVHFCKORAUGY-UHFFFAOYSA-N 1 0 318.373 3.760 20 5 DHBDRO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000176450264 332941520 /nfs/dbraw/zinc/94/15/20/332941520.db2.gz YWQYETHULDEIMD-ZDUSSCGKSA-N 1 0 309.369 3.969 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H]3CCSC3)C2)cc1 ZINC000449495440 332308010 /nfs/dbraw/zinc/30/80/10/332308010.db2.gz DHVCOTQJOBMSBY-HIFRSBDPSA-N 1 0 306.431 3.527 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cccc(F)c1F ZINC000565217460 332645867 /nfs/dbraw/zinc/64/58/67/332645867.db2.gz LSQOXMTWQRMHRK-OAHLLOKOSA-N 1 0 318.323 3.693 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CSCC1CC[NH2+]CC1 ZINC000569841010 332684833 /nfs/dbraw/zinc/68/48/33/332684833.db2.gz MKGDZJLWQJXULV-UHFFFAOYSA-N 1 0 324.446 3.615 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]3C3CC3)c2c1 ZINC000570360933 332744212 /nfs/dbraw/zinc/74/42/12/332744212.db2.gz DVGYMHADIKZPNC-DOTOQJQBSA-N 1 0 313.401 3.787 20 5 DHBDRO CCC[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180266295 333027630 /nfs/dbraw/zinc/02/76/30/333027630.db2.gz QDIWPFJUWXEJKS-IAGOWNOFSA-N 1 0 306.406 3.985 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000181211689 333029665 /nfs/dbraw/zinc/02/96/65/333029665.db2.gz WUXQHSNXYRPHKV-CYBMUJFWSA-N 1 0 309.410 3.526 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000314227078 333095365 /nfs/dbraw/zinc/09/53/65/333095365.db2.gz UQDYAWSIKZXXHT-DLBZAZTESA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000487189032 333117046 /nfs/dbraw/zinc/11/70/46/333117046.db2.gz PMIMTRVTOCEXPD-CABZTGNLSA-N 1 0 302.296 3.892 20 5 DHBDRO CC(C)[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000535556158 335125444 /nfs/dbraw/zinc/12/54/44/335125444.db2.gz MXMCQHSEPFETEE-CQSZACIVSA-N 1 0 315.373 3.728 20 5 DHBDRO Cc1cnc(CC[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000182933529 333181531 /nfs/dbraw/zinc/18/15/31/333181531.db2.gz DEZQIHLSYKEGRZ-ZDUSSCGKSA-N 1 0 319.430 3.904 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319086877 333254973 /nfs/dbraw/zinc/25/49/73/333254973.db2.gz QHMXZUMZJVICBJ-HZPDHXFCSA-N 1 0 308.422 3.823 20 5 DHBDRO COCc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119577492 333255627 /nfs/dbraw/zinc/25/56/27/333255627.db2.gz ZYYYHENGTUAVGY-CYBMUJFWSA-N 1 0 300.358 3.592 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC(c3ccccc3F)C2)cc1 ZINC000390733217 333321556 /nfs/dbraw/zinc/32/15/56/333321556.db2.gz QPDGZZJNKSRLBX-UHFFFAOYSA-N 1 0 314.360 3.812 20 5 DHBDRO COc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000531378409 333347483 /nfs/dbraw/zinc/34/74/83/333347483.db2.gz ITQGUHQGJULZMN-FZKQIMNGSA-N 1 0 312.369 3.796 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000186613089 333375371 /nfs/dbraw/zinc/37/53/71/333375371.db2.gz ZWZJQUUSVVNNMT-ZDUSSCGKSA-N 1 0 314.385 3.673 20 5 DHBDRO Cc1ccc([C@@H](C)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000390942921 333409739 /nfs/dbraw/zinc/40/97/39/333409739.db2.gz KVYQQIFJPNHEHR-GOEBONIOSA-N 1 0 319.449 3.676 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)CC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000343458260 335166042 /nfs/dbraw/zinc/16/60/42/335166042.db2.gz CAGFWZHMFKMUKF-HNNXBMFYSA-N 1 0 306.406 3.719 20 5 DHBDRO CC(C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OCC1CC1 ZINC000414250535 333920570 /nfs/dbraw/zinc/92/05/70/333920570.db2.gz BGOKKBCOOYIQPG-QGZVFWFLSA-N 1 0 318.417 3.767 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000414209398 333921794 /nfs/dbraw/zinc/92/17/94/333921794.db2.gz MLYXLJHMLNPCMN-PMOUVXMZSA-N 1 0 304.390 3.833 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000343548993 335171320 /nfs/dbraw/zinc/17/13/20/335171320.db2.gz KTLOJJQRGAIZMN-MAUKXSAKSA-N 1 0 320.433 3.824 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281369770 334125464 /nfs/dbraw/zinc/12/54/64/334125464.db2.gz GBQIQJDEBKVKOZ-SECBINFHSA-N 1 0 304.724 3.773 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000414915370 334176796 /nfs/dbraw/zinc/17/67/96/334176796.db2.gz MKZNFAPACITOAH-QGZVFWFLSA-N 1 0 311.385 3.653 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC(C)(F)F ZINC000295965476 334228957 /nfs/dbraw/zinc/22/89/57/334228957.db2.gz IBRQOIUDCLJPGK-UHFFFAOYSA-N 1 0 302.321 3.519 20 5 DHBDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531993938 334367238 /nfs/dbraw/zinc/36/72/38/334367238.db2.gz QIKZJTRWKPRFSZ-YOEHRIQHSA-N 1 0 314.385 3.596 20 5 DHBDRO CCC[C@@](C)(O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307807 334704650 /nfs/dbraw/zinc/70/46/50/334704650.db2.gz HJFDVDZUQAORMK-DLBZAZTESA-N 1 0 306.406 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)CCCC2 ZINC000417342814 334705734 /nfs/dbraw/zinc/70/57/34/334705734.db2.gz NHMNTHAXWSERNL-FHLIZLRMSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCOC1)CCCC2 ZINC000417354599 334707222 /nfs/dbraw/zinc/70/72/22/334707222.db2.gz ZODSDEXYZRWJTL-KDOFPFPSSA-N 1 0 318.417 3.769 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC12CC2 ZINC000417330104 334709172 /nfs/dbraw/zinc/70/91/72/334709172.db2.gz AGHUXUXDTJYWKO-IMJJTQAJSA-N 1 0 300.402 3.696 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000343925807 335202540 /nfs/dbraw/zinc/20/25/40/335202540.db2.gz IMSHNRCCNWAUMP-RHSMWYFYSA-N 1 0 312.369 3.812 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000344339226 335242381 /nfs/dbraw/zinc/24/23/81/335242381.db2.gz WGTZJKLPPSBTQU-APHBMKBZSA-N 1 0 304.390 3.593 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)c1nccs1 ZINC000344812132 335280647 /nfs/dbraw/zinc/28/06/47/335280647.db2.gz NBOHPSWLOWOJDV-RPHSKFLZSA-N 1 0 317.414 3.848 20 5 DHBDRO CO[C@H](CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000345440024 335330142 /nfs/dbraw/zinc/33/01/42/335330142.db2.gz AEICVYMCUCDYRE-GXFFZTMASA-N 1 0 320.311 3.521 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCSC1)CCC2 ZINC000348217557 335562242 /nfs/dbraw/zinc/56/22/42/335562242.db2.gz AUPYDEOKOMLQNA-WBMJQRKESA-N 1 0 306.431 3.705 20 5 DHBDRO COc1ccc(-c2ccc(C[NH+]3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000535839811 335792488 /nfs/dbraw/zinc/79/24/88/335792488.db2.gz LNRICHOOVQANND-UHFFFAOYSA-N 1 0 316.357 3.849 20 5 DHBDRO CC(C)(CC[NH+]1CCCCCC1)Nc1ncc([N+](=O)[O-])s1 ZINC000192537301 336074214 /nfs/dbraw/zinc/07/42/14/336074214.db2.gz GWMBEMLTIVBGAH-UHFFFAOYSA-N 1 0 312.439 3.508 20 5 DHBDRO Cc1c(C[NH2+][C@H](CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000445889540 338514535 /nfs/dbraw/zinc/51/45/35/338514535.db2.gz GSTVXSXCYVLTNI-GFCCVEGCSA-N 1 0 304.312 3.970 20 5 DHBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332210070 336162790 /nfs/dbraw/zinc/16/27/90/336162790.db2.gz VMIOCNYWMFDBAP-WCQYABFASA-N 1 0 302.378 3.530 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCc2ccc(O)cc2C1 ZINC000332545401 336174176 /nfs/dbraw/zinc/17/41/76/336174176.db2.gz MPOZPYFRZLUJON-ZDUSSCGKSA-N 1 0 312.369 3.728 20 5 DHBDRO CC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970729 336184374 /nfs/dbraw/zinc/18/43/74/336184374.db2.gz ICPYBEUIUKUCJL-UHFFFAOYSA-N 1 0 306.387 3.687 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(F)c1)CCC2 ZINC000192636056 336204851 /nfs/dbraw/zinc/20/48/51/336204851.db2.gz XEFVBFDPAIIKAX-KRWDZBQOSA-N 1 0 300.333 3.901 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000352546539 336223928 /nfs/dbraw/zinc/22/39/28/336223928.db2.gz WRBFQRBAVPKMGZ-CRAIPNDOSA-N 1 0 318.417 3.857 20 5 DHBDRO C[C@H](C1CC1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104677111 336263570 /nfs/dbraw/zinc/26/35/70/336263570.db2.gz FTSUDMQZGUITHU-GFCCVEGCSA-N 1 0 315.373 3.523 20 5 DHBDRO O=[N+]([O-])c1ccccc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000301202363 336294680 /nfs/dbraw/zinc/29/46/80/336294680.db2.gz PXSNTJSNPNMXHI-MRXNPFEDSA-N 1 0 317.433 3.687 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000301446489 336307322 /nfs/dbraw/zinc/30/73/22/336307322.db2.gz QAEJNJZDYLVYGF-MRXNPFEDSA-N 1 0 315.373 3.745 20 5 DHBDRO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000301471853 336308963 /nfs/dbraw/zinc/30/89/63/336308963.db2.gz KFXOTKNWYPOMAK-UHFFFAOYSA-N 1 0 321.396 3.943 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000301551909 336314347 /nfs/dbraw/zinc/31/43/47/336314347.db2.gz HCXAMOMUKWZNDB-AWEZNQCLSA-N 1 0 305.403 3.680 20 5 DHBDRO C[NH+](C)CCc1ccc(Nc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000301786909 336329819 /nfs/dbraw/zinc/32/98/19/336329819.db2.gz MBLCNIJWZMXPNO-UHFFFAOYSA-N 1 0 321.327 3.721 20 5 DHBDRO C[N@@H+]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000301823997 336332485 /nfs/dbraw/zinc/33/24/85/336332485.db2.gz CWJXOKGXMVIJPK-NVXWUHKLSA-N 1 0 315.348 3.591 20 5 DHBDRO O=[N+]([O-])c1ccsc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000301934280 336338704 /nfs/dbraw/zinc/33/87/04/336338704.db2.gz OCRLKIVRNCSSRB-AWEZNQCLSA-N 1 0 323.462 3.749 20 5 DHBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302067079 336346598 /nfs/dbraw/zinc/34/65/98/336346598.db2.gz WNAAUNNKWOBGDD-STQMWFEESA-N 1 0 321.396 3.799 20 5 DHBDRO Cc1cc(NCCc2ccncc2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302075671 336347198 /nfs/dbraw/zinc/34/71/98/336347198.db2.gz IWIDHMMCVQWVOV-UHFFFAOYSA-N 1 0 322.368 3.809 20 5 DHBDRO CCOc1cccc(NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000302228724 336355217 /nfs/dbraw/zinc/35/52/17/336355217.db2.gz QXVBPUGRRLXQMI-UHFFFAOYSA-N 1 0 321.421 3.526 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000314755610 336383139 /nfs/dbraw/zinc/38/31/39/336383139.db2.gz FUOPFXBKVDPJGZ-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3cc[nH]c3n2)cc1[N+](=O)[O-] ZINC000353631983 336430281 /nfs/dbraw/zinc/43/02/81/336430281.db2.gz RDIDSXANCFLXEI-GFCCVEGCSA-N 1 0 310.357 3.630 20 5 DHBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000356274846 336543807 /nfs/dbraw/zinc/54/38/07/336543807.db2.gz RYMUGHXQOVMPLQ-PXAZEXFGSA-N 1 0 318.348 3.600 20 5 DHBDRO CC[C@@H]([NH2+]CCOc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358007999 336605792 /nfs/dbraw/zinc/60/57/92/336605792.db2.gz ADHNZNALWAFKKI-QGZVFWFLSA-N 1 0 318.348 3.854 20 5 DHBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCCC[NH+]2CCC(C)CC2)n1 ZINC000359083566 336657025 /nfs/dbraw/zinc/65/70/25/336657025.db2.gz OSTQYPAWDFLEEU-UHFFFAOYSA-N 1 0 320.437 3.531 20 5 DHBDRO Cc1cc(N(C)Cc2cnccc2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360108309 336702072 /nfs/dbraw/zinc/70/20/72/336702072.db2.gz PEQWWWFPIARJTQ-UHFFFAOYSA-N 1 0 322.368 3.791 20 5 DHBDRO COc1cc(NCCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000360957335 336729650 /nfs/dbraw/zinc/72/96/50/336729650.db2.gz ZFWQKULITSZOLV-UHFFFAOYSA-N 1 0 321.421 3.527 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000368087709 336837653 /nfs/dbraw/zinc/83/76/53/336837653.db2.gz CCJSXFUJFJYDOJ-AEFFLSMTSA-N 1 0 312.369 3.605 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)c1 ZINC000116922882 336849839 /nfs/dbraw/zinc/84/98/39/336849839.db2.gz OXSZWQDMEVQDAG-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO CC[C@@H]([NH2+]C1CC(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000370737018 336892398 /nfs/dbraw/zinc/89/23/98/336892398.db2.gz GBFLKXZBWZLAIK-VMBOVVBDSA-N 1 0 311.385 3.977 20 5 DHBDRO Cc1c(C[NH+]2CCC([C@H]3CCCOC3)CC2)cccc1[N+](=O)[O-] ZINC000371626360 336909333 /nfs/dbraw/zinc/90/93/33/336909333.db2.gz GJOLKKSIKQRSEL-KRWDZBQOSA-N 1 0 318.417 3.542 20 5 DHBDRO CC(C)(COCc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000389963260 336929675 /nfs/dbraw/zinc/92/96/75/336929675.db2.gz QOQMFOIPSNJENT-UHFFFAOYSA-N 1 0 314.385 3.680 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000582434639 336977602 /nfs/dbraw/zinc/97/76/02/336977602.db2.gz FDKGZHQFIUXXFA-SYAUCNOPSA-N 1 0 306.381 3.786 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000376342287 337031783 /nfs/dbraw/zinc/03/17/83/337031783.db2.gz WYHBZVCZAFDJEV-GDBMZVCRSA-N 1 0 318.417 3.713 20 5 DHBDRO Cc1c(CN2CCC[C@@H]2c2nccs2)cccc1[N+](=O)[O-] ZINC000377491123 337053598 /nfs/dbraw/zinc/05/35/98/337053598.db2.gz CIQHGZDKVOEBRC-CQSZACIVSA-N 1 0 303.387 3.697 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2-c2ccncc2)cc1 ZINC000377672884 337058057 /nfs/dbraw/zinc/05/80/57/337058057.db2.gz MSWQOACZVHJPQD-UHFFFAOYSA-N 1 0 319.364 3.947 20 5 DHBDRO Cc1nc(SCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000193744409 337079362 /nfs/dbraw/zinc/07/93/62/337079362.db2.gz AVSHDGIVSMTKSA-UHFFFAOYSA-N 1 0 317.414 3.522 20 5 DHBDRO CC[C@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181715812 337183850 /nfs/dbraw/zinc/18/38/50/337183850.db2.gz BYPXHOSHKWDXEY-HOTGVXAUSA-N 1 0 308.422 3.679 20 5 DHBDRO C[C@@H]1C[C@H](c2cccnc2)N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000185716485 337250780 /nfs/dbraw/zinc/25/07/80/337250780.db2.gz RLASTHYLZBVYSY-BXUZGUMPSA-N 1 0 303.387 3.634 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CSC)C1 ZINC000429295695 337271814 /nfs/dbraw/zinc/27/18/14/337271814.db2.gz QQMPFVPPSCYJDD-ZDUSSCGKSA-N 1 0 324.446 3.569 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000192977046 337308758 /nfs/dbraw/zinc/30/87/58/337308758.db2.gz RXRHKZVKPTXMIB-UHFFFAOYSA-N 1 0 307.353 3.741 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000125458531 337411847 /nfs/dbraw/zinc/41/18/47/337411847.db2.gz KNEQLYHRXIHXIZ-UHFFFAOYSA-N 1 0 318.417 3.909 20 5 DHBDRO CC[C@@H]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000421384467 337529708 /nfs/dbraw/zinc/52/97/08/337529708.db2.gz MMUVCSMLMLJADD-ZMRGCFQXSA-N 1 0 304.390 3.545 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC12CCSCC2 ZINC000421366989 337532462 /nfs/dbraw/zinc/53/24/62/337532462.db2.gz ARGBEPNUICLWAS-DZGCQCFKSA-N 1 0 320.458 3.649 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000536830033 337734191 /nfs/dbraw/zinc/73/41/91/337734191.db2.gz BHFXNPLNNLXMSQ-GFCCVEGCSA-N 1 0 320.776 3.978 20 5 DHBDRO C[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000120476681 337876653 /nfs/dbraw/zinc/87/66/53/337876653.db2.gz SHISSCAYMVVSFK-SUMWQHHRSA-N 1 0 306.406 3.577 20 5 DHBDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000122101363 337908618 /nfs/dbraw/zinc/90/86/18/337908618.db2.gz GPGIMXYDCXPUDK-UONOGXRCSA-N 1 0 308.422 3.709 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000537305118 337929930 /nfs/dbraw/zinc/92/99/30/337929930.db2.gz CIUXWEOLPZLOHO-XOKHGSTOSA-N 1 0 318.417 3.983 20 5 DHBDRO CC1(C)CC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000516086990 338004292 /nfs/dbraw/zinc/00/42/92/338004292.db2.gz YJUYGDQOJFPZEQ-HNNXBMFYSA-N 1 0 315.373 3.571 20 5 DHBDRO CCOC1(C)CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000430101884 338096674 /nfs/dbraw/zinc/09/66/74/338096674.db2.gz XGMMHTPDWWLPDF-QINSGFPZSA-N 1 0 318.417 3.889 20 5 DHBDRO CSC[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000430192894 338100553 /nfs/dbraw/zinc/10/05/53/338100553.db2.gz DRCSSUOYQRFSPH-PODYEWJSSA-N 1 0 306.431 3.683 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCc2ccccc2C1 ZINC000430211090 338101601 /nfs/dbraw/zinc/10/16/01/338101601.db2.gz WVUNUBDOTWOCHH-UHFFFAOYSA-N 1 0 312.369 3.552 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000430216818 338101806 /nfs/dbraw/zinc/10/18/06/338101806.db2.gz IFPJWAGULJXYGO-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO CC(C)(CO)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433254107 338188219 /nfs/dbraw/zinc/18/82/19/338188219.db2.gz WCMJYNDZNFRFMG-MRXNPFEDSA-N 1 0 320.433 3.706 20 5 DHBDRO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433272317 338188909 /nfs/dbraw/zinc/18/89/09/338188909.db2.gz HPAOMMLXDXHEOQ-XJKSGUPXSA-N 1 0 320.433 3.704 20 5 DHBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433283847 338189262 /nfs/dbraw/zinc/18/92/62/338189262.db2.gz CXXWCGXBFNSXJA-PBFPGSCMSA-N 1 0 320.433 3.704 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc3c(cccc3F)[nH]2)c1 ZINC000436406617 338271241 /nfs/dbraw/zinc/27/12/41/338271241.db2.gz IJXMEFJWLJFCGA-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]3Cc3ccccc3)nc2c1 ZINC000437827963 338322784 /nfs/dbraw/zinc/32/27/84/338322784.db2.gz IEEMTUPYSBLTIS-CQSZACIVSA-N 1 0 323.352 3.553 20 5 DHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000438472556 338345092 /nfs/dbraw/zinc/34/50/92/338345092.db2.gz PTDSDZZOVNBPEU-GFCCVEGCSA-N 1 0 308.275 3.801 20 5 DHBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000441218929 338405478 /nfs/dbraw/zinc/40/54/78/338405478.db2.gz VAGYWHYEBQPBKS-RDJZCZTQSA-N 1 0 306.406 3.765 20 5 DHBDRO CC[C@@H](Cc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446853864 338538639 /nfs/dbraw/zinc/53/86/39/338538639.db2.gz SVNVRKPPNNNAKB-AWEZNQCLSA-N 1 0 324.384 3.582 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC1CCCCC1)CCC2 ZINC000447530747 338554494 /nfs/dbraw/zinc/55/44/94/338554494.db2.gz PIKKHIOTSCFZJJ-GOSISDBHSA-N 1 0 318.417 3.911 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000447532800 338554770 /nfs/dbraw/zinc/55/47/70/338554770.db2.gz VQESQLQOGBIBIS-QZTJIDSGSA-N 1 0 318.417 3.767 20 5 DHBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449243242 338606030 /nfs/dbraw/zinc/60/60/30/338606030.db2.gz JEPUHTYCKAFIJN-PWSUYJOCSA-N 1 0 304.312 3.846 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000449344606 338615379 /nfs/dbraw/zinc/61/53/79/338615379.db2.gz RVCAQQYJGLJMDX-JLSDUUJJSA-N 1 0 310.397 3.919 20 5 DHBDRO CC1(F)CC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000449375653 338619201 /nfs/dbraw/zinc/61/92/01/338619201.db2.gz IHPCOLPCGKPAJO-ZCYLDUCGSA-N 1 0 306.381 3.786 20 5 DHBDRO CO[C@](C)(C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000453313160 338822899 /nfs/dbraw/zinc/82/28/99/338822899.db2.gz DRNCFWVLDXIFKN-RDTXWAMCSA-N 1 0 314.385 3.807 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1CC(F)(F)C1)CCC2 ZINC000453400206 338838390 /nfs/dbraw/zinc/83/83/90/338838390.db2.gz AYPPBNPHPJAVNV-HNNXBMFYSA-N 1 0 310.344 3.997 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(C)cn1 ZINC000453608903 338850506 /nfs/dbraw/zinc/85/05/06/338850506.db2.gz YOJKHXOPNPHAEH-GDNBJRDFSA-N 1 0 311.385 3.534 20 5 DHBDRO Cc1cc(NC2CC[NH+](CC(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461727573 339066070 /nfs/dbraw/zinc/06/60/70/339066070.db2.gz GATLRXMBBKUJNF-UHFFFAOYSA-N 1 0 309.385 3.575 20 5 DHBDRO Cc1cc(NCC[NH2+]C(C)(C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461769581 339066911 /nfs/dbraw/zinc/06/69/11/339066911.db2.gz SWMDZWCNYWEXCS-UHFFFAOYSA-N 1 0 319.327 3.722 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]1c1ccccc1 ZINC000463196835 339108850 /nfs/dbraw/zinc/10/88/50/339108850.db2.gz FZBXVNDDHYIXQW-ROUUACIJSA-N 1 0 310.397 3.873 20 5 DHBDRO Cc1oc2ccccc2c1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000463723689 339124626 /nfs/dbraw/zinc/12/46/26/339124626.db2.gz BHLFWHBAFGGQNK-UHFFFAOYSA-N 1 0 310.353 3.982 20 5 DHBDRO COc1cc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000464493030 339143508 /nfs/dbraw/zinc/14/35/08/339143508.db2.gz FMXSIACXOWJMGC-CDMJZVDBSA-N 1 0 310.369 3.657 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000464845769 339157219 /nfs/dbraw/zinc/15/72/19/339157219.db2.gz HFMFXSHOPUEXBA-KBPBESRZSA-N 1 0 304.390 3.614 20 5 DHBDRO CO[C@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000467386259 339235993 /nfs/dbraw/zinc/23/59/93/339235993.db2.gz UWHIITPQOGRUDO-GUYCJALGSA-N 1 0 306.406 3.575 20 5 DHBDRO C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467837136 339247322 /nfs/dbraw/zinc/24/73/22/339247322.db2.gz XSEMVSWXYJNGDD-CHWSQXEVSA-N 1 0 318.348 3.852 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000467850347 339247672 /nfs/dbraw/zinc/24/76/72/339247672.db2.gz KFIXYRVKYDCDPQ-STQMWFEESA-N 1 0 318.348 3.852 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000467988234 339250493 /nfs/dbraw/zinc/25/04/93/339250493.db2.gz KQCJEBHZEPNTPU-MRXNPFEDSA-N 1 0 300.333 3.554 20 5 DHBDRO CCOc1ccccc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000468005988 339250985 /nfs/dbraw/zinc/25/09/85/339250985.db2.gz RMGHTYHSXDMRFG-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@H](CCc1ccccc1F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000468447740 339263033 /nfs/dbraw/zinc/26/30/33/339263033.db2.gz PSULPHALPRNHBO-CQSZACIVSA-N 1 0 316.376 3.887 20 5 DHBDRO COC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000468597435 339266882 /nfs/dbraw/zinc/26/68/82/339266882.db2.gz OVTQLGRVJVXFIA-RVDMUPIBSA-N 1 0 318.417 3.937 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(F)c1 ZINC000468646875 339267879 /nfs/dbraw/zinc/26/78/79/339267879.db2.gz ZRMMJBOHBYVBOW-JYRVWZFOSA-N 1 0 300.333 3.927 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC1CCCC1 ZINC000468650083 339268070 /nfs/dbraw/zinc/26/80/70/339268070.db2.gz STMCLBCDIWIASS-NTCAYCPXSA-N 1 0 318.417 3.937 20 5 DHBDRO COCCC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCC1 ZINC000468737605 339269594 /nfs/dbraw/zinc/26/95/94/339269594.db2.gz JTCRLLYQDIIWRX-RVDMUPIBSA-N 1 0 318.417 3.795 20 5 DHBDRO COC1CCC(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468747865 339269782 /nfs/dbraw/zinc/26/97/82/339269782.db2.gz MUBATCUWRQSXFY-GXDHUFHOSA-N 1 0 318.417 3.793 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCSC(C)(C)C1 ZINC000470169664 339312486 /nfs/dbraw/zinc/31/24/86/339312486.db2.gz HFAJBZLBQVKBJA-LCYFTJDESA-N 1 0 306.431 3.826 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000470169976 339312596 /nfs/dbraw/zinc/31/25/96/339312596.db2.gz MSDYSFZMOMPOQH-ZROIWOOFSA-N 1 0 324.380 3.762 20 5 DHBDRO COC1CCC([N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470173775 339312780 /nfs/dbraw/zinc/31/27/80/339312780.db2.gz FJORQVTZZKDCFX-KAMYIIQDSA-N 1 0 318.417 3.888 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCC(O)(CC)CC)cc1[N+](=O)[O-] ZINC000471790517 339354192 /nfs/dbraw/zinc/35/41/92/339354192.db2.gz VKNUKUHNNYQQLN-ZDUSSCGKSA-N 1 0 324.421 3.585 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473162743 339383399 /nfs/dbraw/zinc/38/33/99/339383399.db2.gz QAALWRSBNJFNHL-LIRRHRJNSA-N 1 0 324.380 3.787 20 5 DHBDRO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000474925494 339431341 /nfs/dbraw/zinc/43/13/41/339431341.db2.gz WKZHGBINFKQJRH-IUODEOHRSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000479482775 339537530 /nfs/dbraw/zinc/53/75/30/339537530.db2.gz CJKIZWLPHTUYTN-YOEHRIQHSA-N 1 0 320.433 3.885 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000479588468 339542555 /nfs/dbraw/zinc/54/25/55/339542555.db2.gz XAHLKCUXPYSLTP-DLBZAZTESA-N 1 0 306.406 3.587 20 5 DHBDRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000482497688 339633436 /nfs/dbraw/zinc/63/34/36/339633436.db2.gz DCMFGLHOBNUPLW-XIKOKIGWSA-N 1 0 314.360 3.800 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000483488496 339666956 /nfs/dbraw/zinc/66/69/56/339666956.db2.gz JOTIUDZUYPMLOF-OAHLLOKOSA-N 1 0 317.433 3.606 20 5 DHBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000487189030 339745771 /nfs/dbraw/zinc/74/57/71/339745771.db2.gz PMIMTRVTOCEXPD-BXKDBHETSA-N 1 0 302.296 3.892 20 5 DHBDRO CC1(C)C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000489140003 339802375 /nfs/dbraw/zinc/80/23/75/339802375.db2.gz OSMAHCKSVSAMLI-LBPRGKRZSA-N 1 0 300.358 3.991 20 5 DHBDRO CCCc1nc(C)c(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000492334881 339898036 /nfs/dbraw/zinc/89/80/36/339898036.db2.gz QGXYQJAIRUPQEX-TWGQIWQCSA-N 1 0 315.373 3.647 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1cccc2[nH]ccc21 ZINC000500488199 340060467 /nfs/dbraw/zinc/06/04/67/340060467.db2.gz XJOJCDVSWPQKIH-QPJJXVBHSA-N 1 0 321.380 3.922 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000502484352 340105642 /nfs/dbraw/zinc/10/56/42/340105642.db2.gz XXZOVWUAMKGZCL-ZLKJLUDKSA-N 1 0 314.332 3.796 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCc2cccc(F)c2C1 ZINC000502501829 340106143 /nfs/dbraw/zinc/10/61/43/340106143.db2.gz UQRLZJMHTHAXDE-LBPRGKRZSA-N 1 0 300.333 3.853 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCO1 ZINC000504900302 340155243 /nfs/dbraw/zinc/15/52/43/340155243.db2.gz VKQLKILKIXVFTH-CJNGLKHVSA-N 1 0 324.446 3.624 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCO1 ZINC000504900303 340155476 /nfs/dbraw/zinc/15/54/76/340155476.db2.gz VKQLKILKIXVFTH-CZUORRHYSA-N 1 0 324.446 3.624 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCO1 ZINC000504905922 340155663 /nfs/dbraw/zinc/15/56/63/340155663.db2.gz PSDLHCJKRZOXGV-KBPBESRZSA-N 1 0 324.446 3.624 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000505612106 340173052 /nfs/dbraw/zinc/17/30/52/340173052.db2.gz OJSWMHTVICHEPR-HNNXBMFYSA-N 1 0 314.360 3.941 20 5 DHBDRO COc1ccc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000505770869 340177244 /nfs/dbraw/zinc/17/72/44/340177244.db2.gz ISKWAFGUHGCLHB-FNORWQNLSA-N 1 0 312.369 3.749 20 5 DHBDRO CC[C@H]1C[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000507793630 340231732 /nfs/dbraw/zinc/23/17/32/340231732.db2.gz HURPCPBVKZMFJD-PBHICJAKSA-N 1 0 318.417 3.764 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3c2c(F)ccc3F)cc1 ZINC000507880325 340235059 /nfs/dbraw/zinc/23/50/59/340235059.db2.gz NSFXKIDLTBQIGS-MRXNPFEDSA-N 1 0 318.323 3.693 20 5 DHBDRO CC(C)[NH+](CCN(C)C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000507890102 340235233 /nfs/dbraw/zinc/23/52/33/340235233.db2.gz MMGMBXKVJMQCJK-CSKARUKUSA-N 1 0 319.449 3.659 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cccc(C)c1 ZINC000507947367 340236451 /nfs/dbraw/zinc/23/64/51/340236451.db2.gz YHXJGWBRSZERRS-UHFFFAOYSA-N 1 0 314.385 3.634 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCSCC3)o2)cc1 ZINC000508632123 340248956 /nfs/dbraw/zinc/24/89/56/340248956.db2.gz SVJLKVMTLFPDFO-UHFFFAOYSA-N 1 0 318.398 3.794 20 5 DHBDRO COC[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000510467225 340300422 /nfs/dbraw/zinc/30/04/22/340300422.db2.gz IOEYVONNVWSSGF-GFCCVEGCSA-N 1 0 320.414 3.790 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000511667951 340334667 /nfs/dbraw/zinc/33/46/67/340334667.db2.gz QNQBZYWJZWLLOI-HNNXBMFYSA-N 1 0 306.406 3.719 20 5 DHBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000511954933 340343762 /nfs/dbraw/zinc/34/37/62/340343762.db2.gz COYSBKQXWUHYRA-GFCCVEGCSA-N 1 0 316.357 3.705 20 5 DHBDRO C[C@H]([NH2+]CCc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000173332372 340362710 /nfs/dbraw/zinc/36/27/10/340362710.db2.gz UWVDAXUWDYIZSB-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000237329689 340669906 /nfs/dbraw/zinc/66/99/06/340669906.db2.gz RUIDEDGFWYGXCH-LBPRGKRZSA-N 1 0 302.349 3.763 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000538269282 340815718 /nfs/dbraw/zinc/81/57/18/340815718.db2.gz XIXNIFZSIUHPPA-INIZCTEOSA-N 1 0 318.398 3.776 20 5 DHBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000538430094 340823472 /nfs/dbraw/zinc/82/34/72/340823472.db2.gz ROLKEJYPXKMQDU-AEFFLSMTSA-N 1 0 319.449 3.585 20 5 DHBDRO CC[NH+](CC)CCSCc1ccc([N+](=O)[O-])cc1Cl ZINC000541074396 340958344 /nfs/dbraw/zinc/95/83/44/340958344.db2.gz DSVNFUDTKAQXEY-UHFFFAOYSA-N 1 0 302.827 3.823 20 5 DHBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc2cccnc12 ZINC000542317984 341004391 /nfs/dbraw/zinc/00/43/91/341004391.db2.gz LBSSLJOWZQKHAQ-UHFFFAOYSA-N 1 0 321.380 3.784 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000542519283 341011737 /nfs/dbraw/zinc/01/17/37/341011737.db2.gz ZORHNPPREFCYHI-MRXNPFEDSA-N 1 0 318.398 3.906 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCOCc1ccccc1 ZINC000542702877 341018197 /nfs/dbraw/zinc/01/81/97/341018197.db2.gz XRPWXMOCFQUQKF-UHFFFAOYSA-N 1 0 314.385 3.552 20 5 DHBDRO CCOc1cc(NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000543196018 341036329 /nfs/dbraw/zinc/03/63/29/341036329.db2.gz DCTMTQCKNWWDFY-AWEZNQCLSA-N 1 0 321.421 3.670 20 5 DHBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000132093169 341116258 /nfs/dbraw/zinc/11/62/58/341116258.db2.gz MMKGZXPGKDGBNU-GFCCVEGCSA-N 1 0 318.398 3.544 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@H]1CCCCO1 ZINC000545457496 341125851 /nfs/dbraw/zinc/12/58/51/341125851.db2.gz HYYACOMCUATZGF-GOEBONIOSA-N 1 0 306.406 3.903 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(C3CCC3)s2)cc1 ZINC000132795721 341145755 /nfs/dbraw/zinc/14/57/55/341145755.db2.gz UQXOLULCRXKING-UHFFFAOYSA-N 1 0 317.414 3.651 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000546687652 341178791 /nfs/dbraw/zinc/17/87/91/341178791.db2.gz NHYZYZSYKZMUDU-HOCLYGCPSA-N 1 0 320.433 3.743 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3C3CCCC3)nc2c1 ZINC000548508991 341265067 /nfs/dbraw/zinc/26/50/67/341265067.db2.gz QGSYOCCHTBUTOB-MRXNPFEDSA-N 1 0 314.389 3.626 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(O)c1 ZINC000080932028 341276870 /nfs/dbraw/zinc/27/68/70/341276870.db2.gz PFZVXDKTAGCRRG-CYBMUJFWSA-N 1 0 300.358 3.884 20 5 DHBDRO Cc1cc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)oc1C ZINC000548858995 341278391 /nfs/dbraw/zinc/27/83/91/341278391.db2.gz HKURTAZNXVNXKG-GFCCVEGCSA-N 1 0 304.346 3.534 20 5 DHBDRO CCC(CC)(CC)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000081156293 341280273 /nfs/dbraw/zinc/28/02/73/341280273.db2.gz CKHHMXWFNRKMRD-UHFFFAOYSA-N 1 0 321.421 3.790 20 5 DHBDRO C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000549236715 341289369 /nfs/dbraw/zinc/28/93/69/341289369.db2.gz FLWZCBFKUYCJBO-MCIONIFRSA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000549612350 341299003 /nfs/dbraw/zinc/29/90/03/341299003.db2.gz YOHFDOVKVBXENI-MGPQQGTHSA-N 1 0 306.406 3.839 20 5 DHBDRO CCOC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000549882961 341305785 /nfs/dbraw/zinc/30/57/85/341305785.db2.gz WPNAOWASAWEMEL-PTNGSMBKSA-N 1 0 318.417 3.937 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]1F ZINC000550931208 341327045 /nfs/dbraw/zinc/32/70/45/341327045.db2.gz BEJWFFNRCDTDPN-UPJWGTAASA-N 1 0 312.410 3.946 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000550931253 341327060 /nfs/dbraw/zinc/32/70/60/341327060.db2.gz BZCCMVREZISRGB-CXAGYDPISA-N 1 0 312.369 3.825 20 5 DHBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000552049210 341364956 /nfs/dbraw/zinc/36/49/56/341364956.db2.gz PDOSRVFRHMCFBD-UHFFFAOYSA-N 1 0 320.414 3.946 20 5 DHBDRO COC[C@H]1CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552315347 341385838 /nfs/dbraw/zinc/38/58/38/341385838.db2.gz MYCPSMURSLUZPR-GFCCVEGCSA-N 1 0 318.398 3.544 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCSC(C)C)cc1[N+](=O)[O-] ZINC000554086467 341443304 /nfs/dbraw/zinc/44/33/04/341443304.db2.gz MKUNPPSGJQNUES-GFCCVEGCSA-N 1 0 312.435 3.786 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC2=CCCOC2)c2ccccc2)c1 ZINC000554358968 341451029 /nfs/dbraw/zinc/45/10/29/341451029.db2.gz LNKGXOFRUVMRCS-LJQANCHMSA-N 1 0 324.380 3.621 20 5 DHBDRO Cc1cccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000554725002 341462338 /nfs/dbraw/zinc/46/23/38/341462338.db2.gz UHZZVZOAXKRZIJ-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO C[C@H]([NH2+]C1CCC2(CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555331748 341479991 /nfs/dbraw/zinc/47/99/91/341479991.db2.gz QJDOTULSXZWCRX-KTAKPFMOSA-N 1 0 304.390 3.737 20 5 DHBDRO CC(C)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556078049 341493597 /nfs/dbraw/zinc/49/35/97/341493597.db2.gz KNUMXDBVYZIOMW-ZIAGYGMSSA-N 1 0 308.426 3.547 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000556238336 341498645 /nfs/dbraw/zinc/49/86/45/341498645.db2.gz IUBAHVZIDAZDGO-WMZOPIPTSA-N 1 0 320.433 3.824 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000565216565 341520444 /nfs/dbraw/zinc/52/04/44/341520444.db2.gz KGGKUUWFSYJHCU-IRXDYDNUSA-N 1 0 312.344 3.998 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1ccccc1 ZINC000263647793 341574645 /nfs/dbraw/zinc/57/46/45/341574645.db2.gz AWEJGHDVJULEOU-UHFFFAOYSA-N 1 0 300.358 3.628 20 5 DHBDRO COc1cccc(C2([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CC2)c1 ZINC000568901100 341685001 /nfs/dbraw/zinc/68/50/01/341685001.db2.gz MAMIRFHHOQLOHO-KRWDZBQOSA-N 1 0 324.380 3.870 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)C1CC1 ZINC000577220846 341898345 /nfs/dbraw/zinc/89/83/45/341898345.db2.gz YXGULNNHYPVBEF-OAGGEKHMSA-N 1 0 306.381 3.786 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C2CCSCC2)cc1[N+](=O)[O-] ZINC000180509524 521257048 /nfs/dbraw/zinc/25/70/48/521257048.db2.gz VDHGJMCZEYRQDY-NSHDSACASA-N 1 0 310.419 3.540 20 5 DHBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000364998082 521354771 /nfs/dbraw/zinc/35/47/71/521354771.db2.gz FDYUDOYBFHVTHS-KRWDZBQOSA-N 1 0 311.385 3.889 20 5 DHBDRO CCOC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000188788486 521645048 /nfs/dbraw/zinc/64/50/48/521645048.db2.gz DFBNRTIIAOYCMZ-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO CCc1nc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000157141360 522283791 /nfs/dbraw/zinc/28/37/91/522283791.db2.gz BELMCVQSRVSQLB-NSHDSACASA-N 1 0 305.403 3.507 20 5 DHBDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000160054147 522624280 /nfs/dbraw/zinc/62/42/80/522624280.db2.gz QZAXBXUXJBHCJD-JKSUJKDBSA-N 1 0 320.414 3.605 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(F)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181546866 522641235 /nfs/dbraw/zinc/64/12/35/522641235.db2.gz CKGOHEVVMUPYSG-INIZCTEOSA-N 1 0 318.348 3.983 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161616676 522703612 /nfs/dbraw/zinc/70/36/12/522703612.db2.gz DTCMIALQZKLFBO-LRDDRELGSA-N 1 0 302.378 3.613 20 5 DHBDRO CC[C@@H]([NH2+]CCc1nc(C)c(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000127773078 522845775 /nfs/dbraw/zinc/84/57/75/522845775.db2.gz VZFSYSWOKCJLOV-OAHLLOKOSA-N 1 0 319.430 3.952 20 5 DHBDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000160054025 522870064 /nfs/dbraw/zinc/87/00/64/522870064.db2.gz QZAXBXUXJBHCJD-CVEARBPZSA-N 1 0 320.414 3.605 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161617074 522939901 /nfs/dbraw/zinc/93/99/01/522939901.db2.gz DTCMIALQZKLFBO-MLGOLLRUSA-N 1 0 302.378 3.613 20 5 DHBDRO CC[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000161058607 522943949 /nfs/dbraw/zinc/94/39/49/522943949.db2.gz QMVHVOUMYABMLL-QZTJIDSGSA-N 1 0 314.385 3.759 20 5 DHBDRO COCCC(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000183942070 522984750 /nfs/dbraw/zinc/98/47/50/522984750.db2.gz OBDGPKFOECHQIX-INIZCTEOSA-N 1 0 320.433 3.568 20 5 DHBDRO COCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237219866 523375678 /nfs/dbraw/zinc/37/56/78/523375678.db2.gz RJAYHNKGOUPVSJ-UHFFFAOYSA-N 1 0 324.764 3.634 20 5 DHBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000181236588 523460267 /nfs/dbraw/zinc/46/02/67/523460267.db2.gz JLSKSOIVOCHPIX-QWHCGFSZSA-N 1 0 302.378 3.531 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266847917 523953453 /nfs/dbraw/zinc/95/34/53/523953453.db2.gz IEOPLARJPNGEDF-SUMWQHHRSA-N 1 0 300.358 3.633 20 5 DHBDRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155802419 524223307 /nfs/dbraw/zinc/22/33/07/524223307.db2.gz VNJBSFKQZNLYAX-SJCJKPOMSA-N 1 0 312.369 3.942 20 5 DHBDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000158093515 524759915 /nfs/dbraw/zinc/75/99/15/524759915.db2.gz PTSXUWRIXWMNAE-CYBMUJFWSA-N 1 0 318.398 3.654 20 5 DHBDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000158004148 524760335 /nfs/dbraw/zinc/76/03/35/524760335.db2.gz LWIHAAGYLDLIEY-CQSZACIVSA-N 1 0 312.369 3.593 20 5 DHBDRO C[C@@H](F)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000339495746 524975818 /nfs/dbraw/zinc/97/58/18/524975818.db2.gz NOTRRDAARJJUJX-SNVBAGLBSA-N 1 0 309.366 3.556 20 5 DHBDRO C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180222984 525432668 /nfs/dbraw/zinc/43/26/68/525432668.db2.gz UFISZJNPIRGOBL-CYBMUJFWSA-N 1 0 322.405 3.757 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)COC2 ZINC000268952243 525462680 /nfs/dbraw/zinc/46/26/80/525462680.db2.gz SQINLRHWYDOQEK-CYBMUJFWSA-N 1 0 312.369 3.518 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000266753843 525496448 /nfs/dbraw/zinc/49/64/48/525496448.db2.gz DDYSXYZQQVLWED-BZNIZROVSA-N 1 0 320.776 3.632 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000191351070 525899672 /nfs/dbraw/zinc/89/96/72/525899672.db2.gz QMIDJUNAFYNKDU-GFCCVEGCSA-N 1 0 302.378 3.531 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000156940572 525926162 /nfs/dbraw/zinc/92/61/62/525926162.db2.gz XGUXUGJVMKIOAF-LRDDRELGSA-N 1 0 320.414 3.523 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189152109 526085621 /nfs/dbraw/zinc/08/56/21/526085621.db2.gz RVQVIWIBXISFGC-DYVFJYSZSA-N 1 0 304.390 3.547 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCC1CCOCC1 ZINC000182843835 526089490 /nfs/dbraw/zinc/08/94/90/526089490.db2.gz DVSHFALZPYYHPI-AWEZNQCLSA-N 1 0 306.406 3.713 20 5 DHBDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000127728885 526826551 /nfs/dbraw/zinc/82/65/51/526826551.db2.gz YBDVHJDMUKGKJJ-LBPRGKRZSA-N 1 0 319.430 3.870 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)CC1CCCC1)CCC2 ZINC000338026755 527380240 /nfs/dbraw/zinc/38/02/40/527380240.db2.gz KNLANBVPQVVRJA-QAPCUYQASA-N 1 0 318.417 3.503 20 5 DHBDRO COCC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272452021 536810192 /nfs/dbraw/zinc/81/01/92/536810192.db2.gz MQGYFQGHUXFQEP-IUODEOHRSA-N 1 0 304.346 3.616 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2O)cc1[N+](=O)[O-] ZINC000154949411 1013104066 /nfs/dbraw/zinc/10/40/66/1013104066.db2.gz VIDUHRPHHBNEEF-CYBMUJFWSA-N 1 0 300.358 3.502 20 5 DHBDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000155354756 1013381207 /nfs/dbraw/zinc/38/12/07/1013381207.db2.gz LXCAOHIIDGNZPY-AWEZNQCLSA-N 1 0 308.422 3.743 20 5 DHBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000314606413 1013560114 /nfs/dbraw/zinc/56/01/14/1013560114.db2.gz YMBYXWINCAJXIM-JTQLQIEISA-N 1 0 301.337 3.673 20 5 DHBDRO CC(C)(C)c1ccc(-n2ccc3cc(C[NH3+])cnc32)c([N+](=O)[O-])c1 ZINC001167313774 1013815770 /nfs/dbraw/zinc/81/57/70/1013815770.db2.gz NUNCRMQWAZMGMM-UHFFFAOYSA-N 1 0 324.384 3.690 20 5 DHBDRO CCCC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000754346225 1013889161 /nfs/dbraw/zinc/88/91/61/1013889161.db2.gz LRJZGUHVXDJFEQ-IAGOWNOFSA-N 1 0 306.406 3.577 20 5 DHBDRO CC(C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000537088458 1014195929 /nfs/dbraw/zinc/19/59/29/1014195929.db2.gz LNQGOJHTGZKWOW-UHFFFAOYSA-N 1 0 318.348 3.638 20 5 DHBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000610133477 1014206540 /nfs/dbraw/zinc/20/65/40/1014206540.db2.gz RVOBAAVCRNJNHL-OIISXLGYSA-N 1 0 318.417 3.620 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000275910330 1014209916 /nfs/dbraw/zinc/20/99/16/1014209916.db2.gz XACAPSPVJROUKT-SUMWQHHRSA-N 1 0 304.390 3.547 20 5 DHBDRO COc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000126114926 1014478625 /nfs/dbraw/zinc/47/86/25/1014478625.db2.gz SBYCQFXGDICODS-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1c(C[NH2+]Cc2cccc3cnccc32)cccc1[N+](=O)[O-] ZINC000323089709 1014564885 /nfs/dbraw/zinc/56/48/85/1014564885.db2.gz XQRMSSDJMZSLGP-UHFFFAOYSA-N 1 0 307.353 3.741 20 5 DHBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000175984397 1014625129 /nfs/dbraw/zinc/62/51/29/1014625129.db2.gz GWFDCUKWTDDZNA-UHFFFAOYSA-N 1 0 315.329 3.528 20 5 DHBDRO Cn1cccc1[C@@H]1CCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000177984846 1014765681 /nfs/dbraw/zinc/76/56/81/1014765681.db2.gz JDZOFXIMUOFAQA-HNNXBMFYSA-N 1 0 319.792 3.924 20 5 DHBDRO C[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)[NH+]1CCCCCC1 ZINC000276205660 1014840092 /nfs/dbraw/zinc/84/00/92/1014840092.db2.gz OCKBBAJDWASEPV-GFCCVEGCSA-N 1 0 316.361 3.582 20 5 DHBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(Br)c1Cl ZINC001226873949 1014968320 /nfs/dbraw/zinc/96/83/20/1014968320.db2.gz RPVAXAMQTZQQBL-SECBINFHSA-N 1 0 307.639 3.576 20 5 DHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000429680386 1015015802 /nfs/dbraw/zinc/01/58/02/1015015802.db2.gz HUBVIXNJPFHXNU-JKSUJKDBSA-N 1 0 324.446 3.628 20 5 DHBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000051180455 1015254100 /nfs/dbraw/zinc/25/41/00/1015254100.db2.gz ADHFVIUBSPRYIG-MRXNPFEDSA-N 1 0 312.369 3.941 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000895832496 1015326501 /nfs/dbraw/zinc/32/65/01/1015326501.db2.gz XJICJLZRDWZQDL-ZDUSSCGKSA-N 1 0 324.808 3.545 20 5 DHBDRO CC(C)[N@H+](CCc1nccs1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179048736 1015419067 /nfs/dbraw/zinc/41/90/67/1015419067.db2.gz SITZEOQHEMWLNA-UHFFFAOYSA-N 1 0 323.393 3.644 20 5 DHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C ZINC000581882698 1015443361 /nfs/dbraw/zinc/44/33/61/1015443361.db2.gz KJOFXEUJSGOIJU-UHFFFAOYSA-N 1 0 303.362 3.523 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CCSCC1 ZINC000187560804 1015531792 /nfs/dbraw/zinc/53/17/92/1015531792.db2.gz KYJLYCIDFKVWJY-JTQLQIEISA-N 1 0 314.838 3.870 20 5 DHBDRO CC(C)(C)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000341592286 1015564549 /nfs/dbraw/zinc/56/45/49/1015564549.db2.gz KHWIEMDWBSIEMQ-OAHLLOKOSA-N 1 0 316.405 3.558 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)nc2c1 ZINC000610582576 1015632785 /nfs/dbraw/zinc/63/27/85/1015632785.db2.gz AQNUDDXRQQGNAJ-SMDDNHRTSA-N 1 0 301.346 3.501 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000610716601 1015737437 /nfs/dbraw/zinc/73/74/37/1015737437.db2.gz FQWQRKIWLKWMSE-BBRMVZONSA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000522660450 1015789302 /nfs/dbraw/zinc/78/93/02/1015789302.db2.gz WQKPGWKYAWPFLK-UHFFFAOYSA-N 1 0 314.360 3.941 20 5 DHBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000065208915 1015971368 /nfs/dbraw/zinc/97/13/68/1015971368.db2.gz ANOMTKFZAULPDD-UHFFFAOYSA-N 1 0 318.348 3.635 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OC(C)C)CC1 ZINC000538708987 1016162300 /nfs/dbraw/zinc/16/23/00/1016162300.db2.gz IAPIGAXBBQQXSM-CQSZACIVSA-N 1 0 306.406 3.854 20 5 DHBDRO COc1ccc(CN2CCc3sccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000051425576 1016358312 /nfs/dbraw/zinc/35/83/12/1016358312.db2.gz QRUDCCZEUXYZRO-NSHDSACASA-N 1 0 318.398 3.784 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281275306 1016429902 /nfs/dbraw/zinc/42/99/02/1016429902.db2.gz YTPRRFYTVMRNEM-CHWSQXEVSA-N 1 0 312.360 3.941 20 5 DHBDRO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281440016 1016521654 /nfs/dbraw/zinc/52/16/54/1016521654.db2.gz SAKLJARJBIAYIL-GFCCVEGCSA-N 1 0 302.378 3.531 20 5 DHBDRO O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[N@@H+]3Cc3ccccc32)cc1 ZINC000342512307 1016639412 /nfs/dbraw/zinc/63/94/12/1016639412.db2.gz XZXHMQHWFJBSJM-GOSISDBHSA-N 1 0 323.396 3.579 20 5 DHBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000051650475 1016696602 /nfs/dbraw/zinc/69/66/02/1016696602.db2.gz BCJVNCXYNFBALQ-INIZCTEOSA-N 1 0 312.369 3.593 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000281988331 1016861309 /nfs/dbraw/zinc/86/13/09/1016861309.db2.gz ICZJRPHVOMMNQJ-CZUORRHYSA-N 1 0 304.390 3.595 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1cccc(O)c1 ZINC000537606525 1032215853 /nfs/dbraw/zinc/21/58/53/1032215853.db2.gz OXXNGRIUFCDKDQ-CYBMUJFWSA-N 1 0 300.358 3.802 20 5 DHBDRO CSC[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119372437 1032287252 /nfs/dbraw/zinc/28/72/52/1032287252.db2.gz YGXNQCPOGLNONO-SNVBAGLBSA-N 1 0 300.811 3.576 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000282724400 1032464776 /nfs/dbraw/zinc/46/47/76/1032464776.db2.gz METNRHANNPBWFN-WMLDXEAASA-N 1 0 318.417 3.903 20 5 DHBDRO CCOc1cccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000773120112 1032564469 /nfs/dbraw/zinc/56/44/69/1032564469.db2.gz QUJWXTAIXSCOPM-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000773121480 1032564527 /nfs/dbraw/zinc/56/45/27/1032564527.db2.gz RIIXFKCHTVGWNH-RYUDHWBXSA-N 1 0 303.362 3.733 20 5 DHBDRO CC1(C)CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000773148513 1032577083 /nfs/dbraw/zinc/57/70/83/1032577083.db2.gz XTCCKGXASQSLNF-HNNXBMFYSA-N 1 0 317.433 3.732 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000513825200 1012208185 /nfs/dbraw/zinc/20/81/85/1012208185.db2.gz XUMZHVYSRCUJQW-CWRNSKLLSA-N 1 0 320.458 3.791 20 5 DHBDRO CCc1nc(C)c([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000123139185 1032635735 /nfs/dbraw/zinc/63/57/35/1032635735.db2.gz LWNCCOZPRAHTIX-LLVKDONJSA-N 1 0 319.430 3.815 20 5 DHBDRO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000425408538 1012593382 /nfs/dbraw/zinc/59/33/82/1012593382.db2.gz SLBKCDIZTOUGPP-UHFFFAOYSA-N 1 0 301.184 3.588 20 5 DHBDRO CCCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000609222394 1012876525 /nfs/dbraw/zinc/87/65/25/1012876525.db2.gz HDMPOFKJXYMNRQ-UHFFFAOYSA-N 1 0 314.385 3.846 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000609631011 1012998799 /nfs/dbraw/zinc/99/87/99/1012998799.db2.gz TVAHPUHPAWXDBT-AWEZNQCLSA-N 1 0 317.414 3.733 20 5 DHBDRO Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475287029 1017117713 /nfs/dbraw/zinc/11/77/13/1017117713.db2.gz MMVJRIWNPFXZTI-JQWIXIFHSA-N 1 0 302.296 3.676 20 5 DHBDRO CC[C@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000611480933 1017219765 /nfs/dbraw/zinc/21/97/65/1017219765.db2.gz WTNQIFYAGQMOBO-KRWDZBQOSA-N 1 0 323.356 3.739 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000523104294 1017456567 /nfs/dbraw/zinc/45/65/67/1017456567.db2.gz HJVDULJFAHPKRO-UHFFFAOYSA-N 1 0 323.824 3.703 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178659790 1017566238 /nfs/dbraw/zinc/56/62/38/1017566238.db2.gz SDRJMCZYVVWSOP-QWHCGFSZSA-N 1 0 318.348 3.852 20 5 DHBDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444687861 1017614872 /nfs/dbraw/zinc/61/48/72/1017614872.db2.gz HKYVIMKRFUTPDL-ZDUSSCGKSA-N 1 0 324.384 3.939 20 5 DHBDRO CC(C)C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444643237 1017616595 /nfs/dbraw/zinc/61/65/95/1017616595.db2.gz TXXZWNIPKYWNDY-CYBMUJFWSA-N 1 0 316.405 3.729 20 5 DHBDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178671769 1017639156 /nfs/dbraw/zinc/63/91/56/1017639156.db2.gz FGYVHIKDDAGTGX-ZWKOTPCHSA-N 1 0 314.385 3.543 20 5 DHBDRO C[C@@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1[N+](=O)[O-] ZINC000282512344 1017764807 /nfs/dbraw/zinc/76/48/07/1017764807.db2.gz ZBIWABJVYYTQSV-CHWSQXEVSA-N 1 0 321.380 3.894 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000268979564 1017913000 /nfs/dbraw/zinc/91/30/00/1017913000.db2.gz QESJRNSFDGRXHZ-OAHLLOKOSA-N 1 0 304.390 3.566 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000613180027 1017964148 /nfs/dbraw/zinc/96/41/48/1017964148.db2.gz FERIRVVAYBWUTC-ZBFHGGJFSA-N 1 0 311.385 3.615 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000701926036 1018123208 /nfs/dbraw/zinc/12/32/08/1018123208.db2.gz XUUUSXGFICOEKS-LLVKDONJSA-N 1 0 300.761 3.820 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc3[nH]cnc3c2)cc1 ZINC000525195087 1018204282 /nfs/dbraw/zinc/20/42/82/1018204282.db2.gz NCASWJAAYFBTLS-UHFFFAOYSA-N 1 0 324.384 3.584 20 5 DHBDRO CSc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000040675925 1018228907 /nfs/dbraw/zinc/22/89/07/1018228907.db2.gz IDZAWAIIOXLOMJ-UHFFFAOYSA-N 1 0 302.399 3.649 20 5 DHBDRO COC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000446932002 1018296232 /nfs/dbraw/zinc/29/62/32/1018296232.db2.gz GNDLBBYFRGCEAE-SFHVURJKSA-N 1 0 320.433 3.712 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000245921587 1018382839 /nfs/dbraw/zinc/38/28/39/1018382839.db2.gz QVBFFEDAQHNDFI-KKBVYLPWSA-N 1 0 316.401 3.593 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764876880 1018413714 /nfs/dbraw/zinc/41/37/14/1018413714.db2.gz CIJVOYVHJZLADB-LBPRGKRZSA-N 1 0 304.394 3.577 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764876878 1018414103 /nfs/dbraw/zinc/41/41/03/1018414103.db2.gz CIJVOYVHJZLADB-GFCCVEGCSA-N 1 0 304.394 3.577 20 5 DHBDRO CC(C)C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000447542954 1018414948 /nfs/dbraw/zinc/41/49/48/1018414948.db2.gz QDDWSJNYCGZHPY-AEFFLSMTSA-N 1 0 319.449 3.538 20 5 DHBDRO Cc1cccc2c(CC[NH2+]Cc3csc([N+](=O)[O-])c3)c[nH]c21 ZINC000174447292 1018429501 /nfs/dbraw/zinc/42/95/01/1018429501.db2.gz JNAFVADTJNTUJJ-UHFFFAOYSA-N 1 0 315.398 3.778 20 5 DHBDRO C[C@H]([NH2+]CCCOc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000764928582 1018431825 /nfs/dbraw/zinc/43/18/25/1018431825.db2.gz OSKBZKUKRDDPBU-ZDUSSCGKSA-N 1 0 318.348 3.854 20 5 DHBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000447602694 1018441123 /nfs/dbraw/zinc/44/11/23/1018441123.db2.gz VIELOELMHWBUIK-CWVYHPPDSA-N 1 0 320.437 3.689 20 5 DHBDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000583578392 1018570317 /nfs/dbraw/zinc/57/03/17/1018570317.db2.gz OPEJTUOMXSGLGO-UONOGXRCSA-N 1 0 304.390 3.614 20 5 DHBDRO CCC[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])OCC ZINC000705334381 1018648562 /nfs/dbraw/zinc/64/85/62/1018648562.db2.gz WTCWOHHHGWAIJH-ZDUSSCGKSA-N 1 0 300.786 3.543 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)CSC(C)(C)C)cc1[N+](=O)[O-] ZINC000765421424 1018780877 /nfs/dbraw/zinc/78/08/77/1018780877.db2.gz RMMGOERYGVGWJR-NSHDSACASA-N 1 0 312.435 3.613 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000922897143 1018879523 /nfs/dbraw/zinc/87/95/23/1018879523.db2.gz LNNSEAWFQHVOPR-MLGOLLRUSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]2CCCC[C@H]12 ZINC000611802412 1018895088 /nfs/dbraw/zinc/89/50/88/1018895088.db2.gz NUHXKDYYIGJCKE-KYOSRNDESA-N 1 0 315.373 3.747 20 5 DHBDRO [NH3+]CC[C@@H]1CN(c2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC001168548220 1018992840 /nfs/dbraw/zinc/99/28/40/1018992840.db2.gz FPZJHGOYAIAEDG-LLVKDONJSA-N 1 0 317.776 3.832 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2c1cccc2F ZINC000584182483 1019003908 /nfs/dbraw/zinc/00/39/08/1019003908.db2.gz BTDSJQDBTBXOIB-IAGOWNOFSA-N 1 0 312.344 3.998 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccc(F)c1 ZINC000187960398 1019079885 /nfs/dbraw/zinc/07/98/85/1019079885.db2.gz OTENKRLPEXIAOD-MRXNPFEDSA-N 1 0 318.348 3.983 20 5 DHBDRO Cc1c(F)cc([N+](=O)[O-])cc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168556049 1019132996 /nfs/dbraw/zinc/13/29/96/1019132996.db2.gz XCBYOWOYVXYHKY-LBPRGKRZSA-N 1 0 315.348 3.626 20 5 DHBDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000090519223 1019400352 /nfs/dbraw/zinc/40/03/52/1019400352.db2.gz HYYAKQIHBIWPHV-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611350526 1019451536 /nfs/dbraw/zinc/45/15/36/1019451536.db2.gz PUROKMXYMLLHJT-BZUAXINKSA-N 1 0 318.417 3.794 20 5 DHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611411630 1019476405 /nfs/dbraw/zinc/47/64/05/1019476405.db2.gz GKXMLSGOKYZQPM-OCCSQVGLSA-N 1 0 317.414 3.904 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000611509746 1019505741 /nfs/dbraw/zinc/50/57/41/1019505741.db2.gz ZQWUEZZHERODBW-KGLIPLIRSA-N 1 0 323.462 3.747 20 5 DHBDRO C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092471207 1019512999 /nfs/dbraw/zinc/51/29/99/1019512999.db2.gz VJGGOIKQOXETQD-NSHDSACASA-N 1 0 303.387 3.560 20 5 DHBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000114489167 1019515279 /nfs/dbraw/zinc/51/52/79/1019515279.db2.gz YNVAEKBYVMBAJG-HNNXBMFYSA-N 1 0 302.399 3.646 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1ccc([N+](=O)[O-])cc1 ZINC000922149377 1019532217 /nfs/dbraw/zinc/53/22/17/1019532217.db2.gz JYLRBWHGYWTPNQ-OLZOCXBDSA-N 1 0 312.369 3.769 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCC(F)(F)CC1 ZINC000347532839 1019576089 /nfs/dbraw/zinc/57/60/89/1019576089.db2.gz DNVBGTAWMMUXPQ-UHFFFAOYSA-N 1 0 314.332 3.613 20 5 DHBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000555099018 1020080775 /nfs/dbraw/zinc/08/07/75/1020080775.db2.gz JIDTYSHGHRFFDL-DZFYGRHCSA-N 1 0 318.417 3.888 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)(C)C ZINC000154908228 1020165365 /nfs/dbraw/zinc/16/53/65/1020165365.db2.gz ZSXKYCCFONGWCV-RDJZCZTQSA-N 1 0 320.433 3.567 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154963694 1020172500 /nfs/dbraw/zinc/17/25/00/1020172500.db2.gz LKENAQIYGALXKH-DOMZBBRYSA-N 1 0 319.430 3.610 20 5 DHBDRO CC(C)N1CCCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000330658669 1020236221 /nfs/dbraw/zinc/23/62/21/1020236221.db2.gz QULQXDXQWNYAEB-RHSMWYFYSA-N 1 0 305.422 3.508 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000125015139 1020253312 /nfs/dbraw/zinc/25/33/12/1020253312.db2.gz GZZPLESZUMRUDL-QBPKDAKJSA-N 1 0 304.390 3.593 20 5 DHBDRO CS[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000612194710 1020391464 /nfs/dbraw/zinc/39/14/64/1020391464.db2.gz NBOVDNLGBFJUEL-CYBMUJFWSA-N 1 0 300.399 3.601 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](OC)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001168741997 1020488451 /nfs/dbraw/zinc/48/84/51/1020488451.db2.gz YGRFTYQPMTZYPH-DLBZAZTESA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCS[C@H]2CCCC[C@@H]21 ZINC000177205253 1020515109 /nfs/dbraw/zinc/51/51/09/1020515109.db2.gz QVQPZPDWOPGHLS-GJZGRUSLSA-N 1 0 310.394 3.594 20 5 DHBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000235559008 1020520912 /nfs/dbraw/zinc/52/09/12/1020520912.db2.gz USDWTVYKWGBKQE-ONGXEEELSA-N 1 0 313.195 3.636 20 5 DHBDRO C[NH+](C)CC(C)(C)CNc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001168768839 1020530700 /nfs/dbraw/zinc/53/07/00/1020530700.db2.gz JTILHYVRGCPPCI-BQYQJAHWSA-N 1 0 311.813 3.587 20 5 DHBDRO O=[N+]([O-])c1cccc(CN(Cc2ccc(Cl)cn2)C2CC2)c1 ZINC000554497513 1020548127 /nfs/dbraw/zinc/54/81/27/1020548127.db2.gz PPIATTPCJLIZMA-UHFFFAOYSA-N 1 0 317.776 3.808 20 5 DHBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612457723 1020568873 /nfs/dbraw/zinc/56/88/73/1020568873.db2.gz MGIWOOZEVPGCNB-QWRGUYRKSA-N 1 0 303.362 3.650 20 5 DHBDRO COc1ccc(C[N@@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1[N+](=O)[O-] ZINC000065967503 1020613242 /nfs/dbraw/zinc/61/32/42/1020613242.db2.gz MJHDDQGNSDXCNL-PJPHBNEVSA-N 1 0 316.401 3.614 20 5 DHBDRO COC[C@@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000171051315 1020618123 /nfs/dbraw/zinc/61/81/23/1020618123.db2.gz HXYLTAQRXOIYAN-LBPRGKRZSA-N 1 0 320.414 3.695 20 5 DHBDRO CC(C)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000738241277 1020867005 /nfs/dbraw/zinc/86/70/05/1020867005.db2.gz SNTZBSLKTIIMRK-AWEZNQCLSA-N 1 0 316.405 3.660 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000414089767 1020872648 /nfs/dbraw/zinc/87/26/48/1020872648.db2.gz CRKAWUVCTXEEFY-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000173225786 1020904533 /nfs/dbraw/zinc/90/45/33/1020904533.db2.gz FLOYIIVGKPRRCZ-UHFFFAOYSA-N 1 0 321.421 3.646 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173387343 1020911159 /nfs/dbraw/zinc/91/11/59/1020911159.db2.gz LYRKWTNHDHNRNW-OLZOCXBDSA-N 1 0 300.358 3.582 20 5 DHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[C@H]1C ZINC000414150129 1020942013 /nfs/dbraw/zinc/94/20/13/1020942013.db2.gz PBHCXTHZVOBCSO-ZDMBXUJBSA-N 1 0 302.296 3.748 20 5 DHBDRO C[C@@H]1C[C@H](C)[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000740860736 1020954467 /nfs/dbraw/zinc/95/44/67/1020954467.db2.gz RJSVNIHYZCMGAE-ZJUUUORDSA-N 1 0 307.375 3.560 20 5 DHBDRO Cc1c(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000170688583 1021000206 /nfs/dbraw/zinc/00/02/06/1021000206.db2.gz PLXVXXHZGURJEP-KRWDZBQOSA-N 1 0 311.385 3.590 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414242514 1021025500 /nfs/dbraw/zinc/02/55/00/1021025500.db2.gz QCEVCEJYMSMLLY-DEYYWGMASA-N 1 0 320.433 3.709 20 5 DHBDRO COC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000537952495 1032951499 /nfs/dbraw/zinc/95/14/99/1032951499.db2.gz HZJWNZJSLRQMPE-RDTXWAMCSA-N 1 0 314.385 3.942 20 5 DHBDRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277259 1021208809 /nfs/dbraw/zinc/20/88/09/1021208809.db2.gz MDQKKMJOLPDLPC-IRXDYDNUSA-N 1 0 306.406 3.529 20 5 DHBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278160 1021228071 /nfs/dbraw/zinc/22/80/71/1021228071.db2.gz RVTFIBQZNPFBSJ-JQFCIGGWSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1cc(NC2C[C@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181537659 1021236129 /nfs/dbraw/zinc/23/61/29/1021236129.db2.gz XGASXZDPQYUVFC-RYUDHWBXSA-N 1 0 315.373 3.819 20 5 DHBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000917431198 1021265980 /nfs/dbraw/zinc/26/59/80/1021265980.db2.gz MLPURTAYJDKABE-UHFFFAOYSA-N 1 0 314.389 3.699 20 5 DHBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCC(C3CCCCC3)CC2)c1 ZINC000618194663 1021322422 /nfs/dbraw/zinc/32/24/22/1021322422.db2.gz OIIKPRPXXFCYAO-UHFFFAOYSA-N 1 0 320.437 3.520 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CCC(F)CC1 ZINC000850553755 1021599963 /nfs/dbraw/zinc/59/99/63/1021599963.db2.gz CEZJOZXEWGPBLD-QZPOHEPASA-N 1 0 309.385 3.744 20 5 DHBDRO CC(C)CCn1cccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000236636865 1021601483 /nfs/dbraw/zinc/60/14/83/1021601483.db2.gz QCBQYWGZZPVYAS-UHFFFAOYSA-N 1 0 315.417 3.775 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1SCCS1 ZINC000850570110 1021612351 /nfs/dbraw/zinc/61/23/51/1021612351.db2.gz GTGVBEXEMSMNOT-NSHDSACASA-N 1 0 312.460 3.750 20 5 DHBDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000541117831 1021662422 /nfs/dbraw/zinc/66/24/22/1021662422.db2.gz KGCYKZYAHSVMFI-AEGPPILISA-N 1 0 304.390 3.614 20 5 DHBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1nccs1 ZINC000230693857 1021704133 /nfs/dbraw/zinc/70/41/33/1021704133.db2.gz IMFZHOOCFWTKQA-VIFPVBQESA-N 1 0 311.794 3.598 20 5 DHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000182691013 1021766903 /nfs/dbraw/zinc/76/69/03/1021766903.db2.gz ASJPFRZNUBJBMW-NSHDSACASA-N 1 0 303.362 3.794 20 5 DHBDRO C[C@H](COc1ccccc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746047982 1021833510 /nfs/dbraw/zinc/83/35/10/1021833510.db2.gz ADLDBGINODGNGU-KGLIPLIRSA-N 1 0 300.358 3.713 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCC12CCOCC2 ZINC000619715626 1021846759 /nfs/dbraw/zinc/84/67/59/1021846759.db2.gz UTLDFKWMALFIHT-AATOQMJSSA-N 1 0 316.401 3.547 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1[N+](=O)[O-] ZINC000556909174 1021940099 /nfs/dbraw/zinc/94/00/99/1021940099.db2.gz YOXLKQSDVBKXPC-KRWDZBQOSA-N 1 0 318.417 3.598 20 5 DHBDRO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000122786679 1022053674 /nfs/dbraw/zinc/05/36/74/1022053674.db2.gz XHKUHZLIWVOMFN-ZIAGYGMSSA-N 1 0 314.385 3.972 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC3(CCCCC3)CC2)cc1 ZINC000776581834 1022100555 /nfs/dbraw/zinc/10/05/55/1022100555.db2.gz MXQRWIYOSGPMTJ-QGZVFWFLSA-N 1 0 318.417 3.675 20 5 DHBDRO CCCCC[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587923 1022102917 /nfs/dbraw/zinc/10/29/17/1022102917.db2.gz ZMYPCGMBHYZMJH-WBVHZDCISA-N 1 0 306.406 3.673 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000195340179 1022121089 /nfs/dbraw/zinc/12/10/89/1022121089.db2.gz LKWCUSBEIUBQDB-CQSZACIVSA-N 1 0 317.414 3.739 20 5 DHBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852467232 1022125073 /nfs/dbraw/zinc/12/50/73/1022125073.db2.gz BBCZAYVPABMBTK-MEDUHNTESA-N 1 0 300.333 3.552 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1F ZINC000852594145 1022146074 /nfs/dbraw/zinc/14/60/74/1022146074.db2.gz AASVSGBRFSWOGE-YOEHRIQHSA-N 1 0 322.380 3.515 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852598749 1022147891 /nfs/dbraw/zinc/14/78/91/1022147891.db2.gz YNXOJINPNQGFSP-GUYCJALGSA-N 1 0 322.380 3.515 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2c3ccccc3-c3ccccc32)C1 ZINC001168976051 1022195491 /nfs/dbraw/zinc/19/54/91/1022195491.db2.gz YUSRIAQKHHFGTH-ZIAGYGMSSA-N 1 0 308.381 3.791 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCCCC2)C1 ZINC001168976723 1022197487 /nfs/dbraw/zinc/19/74/87/1022197487.db2.gz FSXUHKKWAVNGAK-NVXWUHKLSA-N 1 0 302.418 3.881 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cccc1C(F)(F)F ZINC001168979540 1022197716 /nfs/dbraw/zinc/19/77/16/1022197716.db2.gz ZDAHVCZNUHLRPK-YPMHNXCESA-N 1 0 316.323 3.549 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2F)C2CCC2)C1 ZINC001168984687 1022199584 /nfs/dbraw/zinc/19/95/84/1022199584.db2.gz QAFULNKYJWTOMR-IFIJOSMWSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)c(Cl)cc2Cl)C1 ZINC001168959113 1022201005 /nfs/dbraw/zinc/20/10/05/1022201005.db2.gz TUUFEBJMVSFGJW-WCBMZHEXSA-N 1 0 321.179 3.668 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)c(Cl)c1 ZINC001168973310 1022205028 /nfs/dbraw/zinc/20/50/28/1022205028.db2.gz NVGXUNKIHBJVML-SCVCMEIPSA-N 1 0 300.761 3.575 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)c(Cl)c1 ZINC001168973301 1022206370 /nfs/dbraw/zinc/20/63/70/1022206370.db2.gz NVGXUNKIHBJVML-CKYFFXLPSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC001169002537 1022211036 /nfs/dbraw/zinc/21/10/36/1022211036.db2.gz KXBBKEMEERPEES-HSMVNMDESA-N 1 0 308.809 3.752 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC001169005676 1022211644 /nfs/dbraw/zinc/21/16/44/1022211644.db2.gz BYMNTSNFZQRQBX-SUMWQHHRSA-N 1 0 320.820 3.875 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CCC2)C1 ZINC001169004935 1022212361 /nfs/dbraw/zinc/21/23/61/1022212361.db2.gz SHHDCXDCCVCVEN-RDJZCZTQSA-N 1 0 320.408 3.574 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1c(F)cccc1Cl ZINC001168986643 1022216397 /nfs/dbraw/zinc/21/63/97/1022216397.db2.gz XZVSFMLIANPQKY-HBNTYKKESA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001169039254 1022221634 /nfs/dbraw/zinc/22/16/34/1022221634.db2.gz OPOQLNQEQRNXCK-LZLYRXPVSA-N 1 0 320.408 3.526 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+](Cc2ccccn2)C2CCCCC2)C1 ZINC001169039132 1022222113 /nfs/dbraw/zinc/22/21/13/1022222113.db2.gz NMNXDPBJGSETAA-YJBOKZPZSA-N 1 0 317.433 3.662 20 5 DHBDRO CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041681 1022224360 /nfs/dbraw/zinc/22/43/60/1022224360.db2.gz CAGXBNJQFKFCTL-DZKIICNBSA-N 1 0 320.458 3.991 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C2CC2)c1 ZINC001167735353 1022227954 /nfs/dbraw/zinc/22/79/54/1022227954.db2.gz ZUEZOMHFZJCUDS-QZTJIDSGSA-N 1 0 316.401 3.517 20 5 DHBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853411552 1022269837 /nfs/dbraw/zinc/26/98/37/1022269837.db2.gz MXFYPFVWIBVPKB-NWDGAFQWSA-N 1 0 313.348 3.817 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccccc1 ZINC000064350238 1022278806 /nfs/dbraw/zinc/27/88/06/1022278806.db2.gz YTESIHADXLECAS-SFHVURJKSA-N 1 0 314.385 3.539 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC000609505461 1022292534 /nfs/dbraw/zinc/29/25/34/1022292534.db2.gz BQKFODWNXJCVDS-GFCCVEGCSA-N 1 0 309.391 3.744 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC000609505462 1022293038 /nfs/dbraw/zinc/29/30/38/1022293038.db2.gz BQKFODWNXJCVDS-LBPRGKRZSA-N 1 0 309.391 3.744 20 5 DHBDRO CC(C)c1cnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000183732358 1022325776 /nfs/dbraw/zinc/32/57/76/1022325776.db2.gz ICSLBRSGCQGHKD-UHFFFAOYSA-N 1 0 305.403 3.507 20 5 DHBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)CC1CC1 ZINC000233460932 1022338731 /nfs/dbraw/zinc/33/87/31/1022338731.db2.gz STASNBQMIRRABQ-UHFFFAOYSA-N 1 0 313.195 3.589 20 5 DHBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190211357 1022342600 /nfs/dbraw/zinc/34/26/00/1022342600.db2.gz AWTVZYAOKCBTQL-GOSISDBHSA-N 1 0 320.433 3.703 20 5 DHBDRO C[N@H+](CCSc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000609798228 1022349725 /nfs/dbraw/zinc/34/97/25/1022349725.db2.gz JXEUKILNCKXCHE-UHFFFAOYSA-N 1 0 302.399 3.819 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000609916584 1022383725 /nfs/dbraw/zinc/38/37/25/1022383725.db2.gz YKQFGKKWVBWKBR-INIZCTEOSA-N 1 0 314.360 3.799 20 5 DHBDRO CC[C@@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000610009066 1022402010 /nfs/dbraw/zinc/40/20/10/1022402010.db2.gz VJYYTZSRYNJHJL-QGZVFWFLSA-N 1 0 317.364 3.887 20 5 DHBDRO Cc1ccc2oc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000610088904 1022419004 /nfs/dbraw/zinc/41/90/04/1022419004.db2.gz ROYAHYJZCVQSKH-UHFFFAOYSA-N 1 0 310.353 3.982 20 5 DHBDRO CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)(C)C ZINC000538392534 1033051290 /nfs/dbraw/zinc/05/12/90/1033051290.db2.gz VCSPVFKZUOAIFJ-ZDUSSCGKSA-N 1 0 318.377 3.559 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)s2)c([N+](=O)[O-])cc1F ZINC000766894148 1022606476 /nfs/dbraw/zinc/60/64/76/1022606476.db2.gz PRPWNDZENCHDEE-SNVBAGLBSA-N 1 0 324.377 3.963 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO[C@@H]1C1CC1 ZINC000767195737 1022660553 /nfs/dbraw/zinc/66/05/53/1022660553.db2.gz QKNRIEDHBUCLGJ-CVEARBPZSA-N 1 0 324.808 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCSC1)CCCC2 ZINC000417325170 1022685673 /nfs/dbraw/zinc/68/56/73/1022685673.db2.gz DSCZBBYKNVTZAJ-WBMJQRKESA-N 1 0 306.431 3.705 20 5 DHBDRO C[C@@H]([NH2+][C@@H](CO)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000417372405 1022713688 /nfs/dbraw/zinc/71/36/88/1022713688.db2.gz VZHKXDSNGNVSKJ-CZUORRHYSA-N 1 0 306.406 3.577 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000068659179 1022715939 /nfs/dbraw/zinc/71/59/39/1022715939.db2.gz KRRJYHDUQIJJAK-LBPRGKRZSA-N 1 0 309.366 3.510 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000768088828 1022878883 /nfs/dbraw/zinc/87/88/83/1022878883.db2.gz BXJRCQWSMBWQBR-STQMWFEESA-N 1 0 318.373 3.868 20 5 DHBDRO COCC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000768544865 1022992371 /nfs/dbraw/zinc/99/23/71/1022992371.db2.gz QYZKXZXMKNZRHO-UHFFFAOYSA-N 1 0 312.797 3.639 20 5 DHBDRO Cc1ncc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000184664895 1023057172 /nfs/dbraw/zinc/05/71/72/1023057172.db2.gz KLAQPTRLKFOZLM-MRVPVSSYSA-N 1 0 311.794 3.864 20 5 DHBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1C ZINC000781925393 1023087399 /nfs/dbraw/zinc/08/73/99/1023087399.db2.gz TVQDUNDYOHOJED-XYPHTWIQSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1cc([C@H]2CCC[N@@H+]2Cc2c(C)ccc([N+](=O)[O-])c2C)on1 ZINC000876617276 1033106897 /nfs/dbraw/zinc/10/68/97/1033106897.db2.gz JAZANYCGNXJVTN-MRXNPFEDSA-N 1 0 315.373 3.845 20 5 DHBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000312726427 1023141662 /nfs/dbraw/zinc/14/16/62/1023141662.db2.gz RSFDPLAJZCNIAL-GFCCVEGCSA-N 1 0 314.838 3.823 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769471259 1023161888 /nfs/dbraw/zinc/16/18/88/1023161888.db2.gz RNMAZLFRYQOEAJ-VHSXEESVSA-N 1 0 313.195 3.588 20 5 DHBDRO Cc1cccc2c1CN(Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000759898579 1023204376 /nfs/dbraw/zinc/20/43/76/1023204376.db2.gz GXSPEJIGLFNAHF-UHFFFAOYSA-N 1 0 300.333 3.601 20 5 DHBDRO CS[C@@H]1CC[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000786812601 1023731136 /nfs/dbraw/zinc/73/11/36/1023731136.db2.gz IBBXLFVFFHLFDU-MVGYBYKRSA-N 1 0 306.431 3.872 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000049182756 1023839062 /nfs/dbraw/zinc/83/90/62/1023839062.db2.gz UUODYBKZYFVBSK-GFCCVEGCSA-N 1 0 306.387 3.694 20 5 DHBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000788464769 1023888410 /nfs/dbraw/zinc/88/84/10/1023888410.db2.gz NXNGOJNRTMXOBA-JCGIZDLHSA-N 1 0 320.433 3.823 20 5 DHBDRO Cc1ccc(OCC[N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000788470263 1023890147 /nfs/dbraw/zinc/89/01/47/1023890147.db2.gz PABHWOPVVXCNOO-UHFFFAOYSA-N 1 0 318.348 3.553 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499462 1023895070 /nfs/dbraw/zinc/89/50/70/1023895070.db2.gz UMANQJZTQUKDKI-JTQLQIEISA-N 1 0 305.765 3.681 20 5 DHBDRO CCS[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788482754 1023900366 /nfs/dbraw/zinc/90/03/66/1023900366.db2.gz NKOPNOXAINIQMA-ZDUSSCGKSA-N 1 0 312.410 3.842 20 5 DHBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000788534720 1023907511 /nfs/dbraw/zinc/90/75/11/1023907511.db2.gz IZMILYNRHWEIKE-QVKFZJNVSA-N 1 0 321.420 3.623 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000788972873 1023957687 /nfs/dbraw/zinc/95/76/87/1023957687.db2.gz JHRNJLCAUSZKFF-LLVKDONJSA-N 1 0 305.765 3.802 20 5 DHBDRO CC1(C)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000789339269 1024053545 /nfs/dbraw/zinc/05/35/45/1024053545.db2.gz BCMFAGVSZAHSRP-UHFFFAOYSA-N 1 0 314.838 3.966 20 5 DHBDRO Cc1nc(NC2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000268459056 1024118319 /nfs/dbraw/zinc/11/83/19/1024118319.db2.gz HMHFBBLKGWUQON-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268764618 1024155927 /nfs/dbraw/zinc/15/59/27/1024155927.db2.gz PKLVXJRFSLOIME-BLLLJJGKSA-N 1 0 319.430 3.610 20 5 DHBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1cccs1 ZINC000520170729 1024182531 /nfs/dbraw/zinc/18/25/31/1024182531.db2.gz LTCAPQPSGPRZMO-UHFFFAOYSA-N 1 0 320.414 3.600 20 5 DHBDRO CCC[C@H]([NH2+]CCCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000268881372 1024186906 /nfs/dbraw/zinc/18/69/06/1024186906.db2.gz RRTLTYAEBDJCLY-KRWDZBQOSA-N 1 0 316.405 3.621 20 5 DHBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1(C)CC1 ZINC000876977571 1033197487 /nfs/dbraw/zinc/19/74/87/1033197487.db2.gz XWGRMHAAYDWYAF-ZETCQYMHSA-N 1 0 319.224 3.697 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000531697215 1024271113 /nfs/dbraw/zinc/27/11/13/1024271113.db2.gz QTYGWYMFXCPANV-CQSZACIVSA-N 1 0 324.384 3.604 20 5 DHBDRO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531736556 1024286646 /nfs/dbraw/zinc/28/66/46/1024286646.db2.gz XLZFZRDSFYOFQA-PBHICJAKSA-N 1 0 314.385 3.596 20 5 DHBDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531736559 1024288730 /nfs/dbraw/zinc/28/87/30/1024288730.db2.gz XLZFZRDSFYOFQA-YOEHRIQHSA-N 1 0 314.385 3.596 20 5 DHBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269682203 1024302158 /nfs/dbraw/zinc/30/21/58/1024302158.db2.gz RIPQAVBZCRBMOA-QZTJIDSGSA-N 1 0 314.385 3.615 20 5 DHBDRO C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000883257374 1024324782 /nfs/dbraw/zinc/32/47/82/1024324782.db2.gz ZSOOOJYAVZKHGU-SECBINFHSA-N 1 0 302.296 3.820 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)CC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883259252 1024330773 /nfs/dbraw/zinc/33/07/73/1024330773.db2.gz HKGRRMCRJHGNEH-VIFPVBQESA-N 1 0 301.337 3.509 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000453107760 1024336968 /nfs/dbraw/zinc/33/69/68/1024336968.db2.gz LWMDKGGLSZNRDZ-AWEZNQCLSA-N 1 0 306.387 3.906 20 5 DHBDRO C[C@H]([NH2+]CC1(CCO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000165595936 1024349177 /nfs/dbraw/zinc/34/91/77/1024349177.db2.gz RZVSVJMFFIOSDC-AWEZNQCLSA-N 1 0 306.406 3.578 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883355928 1024400317 /nfs/dbraw/zinc/40/03/17/1024400317.db2.gz AHWVATRECQRMAL-GOEBONIOSA-N 1 0 318.417 3.607 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883363725 1024403881 /nfs/dbraw/zinc/40/38/81/1024403881.db2.gz LNWFMXSZCKVOQT-SHRNQRGKSA-N 1 0 316.401 3.689 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000270614951 1024410615 /nfs/dbraw/zinc/41/06/15/1024410615.db2.gz DQBIQEIRPOWQDG-GDBMZVCRSA-N 1 0 306.406 3.587 20 5 DHBDRO CC[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000883379339 1024411273 /nfs/dbraw/zinc/41/12/73/1024411273.db2.gz XNEGSMASMKEDFL-MRXNPFEDSA-N 1 0 304.390 3.595 20 5 DHBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000270701521 1024422139 /nfs/dbraw/zinc/42/21/39/1024422139.db2.gz YHAWKWJLLDVYGQ-UTDDRVLSSA-N 1 0 318.417 3.791 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCC1CCOCC1)CCC2 ZINC000453242470 1024435525 /nfs/dbraw/zinc/43/55/25/1024435525.db2.gz XYTKFINEEGCCMR-GOSISDBHSA-N 1 0 318.417 3.769 20 5 DHBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001320408483 1024440953 /nfs/dbraw/zinc/44/09/53/1024440953.db2.gz KIJPYIMXPFWUCU-NXEZZACHSA-N 1 0 313.195 3.730 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccnc(C)c2)cc1[N+](=O)[O-] ZINC000453299415 1024447454 /nfs/dbraw/zinc/44/74/54/1024447454.db2.gz VJGPBZYYLPIIKT-ZDUSSCGKSA-N 1 0 315.373 3.548 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCC1(F)F)C1CC1 ZINC000453320481 1024461642 /nfs/dbraw/zinc/46/16/42/1024461642.db2.gz PETHATTWPHFPRD-CABCVRRESA-N 1 0 324.371 3.941 20 5 DHBDRO CCOc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000106244452 1024484969 /nfs/dbraw/zinc/48/49/69/1024484969.db2.gz FUQFEKVFJLDNCA-UHFFFAOYSA-N 1 0 318.348 3.731 20 5 DHBDRO C[NH+](C)[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000791409851 1024492313 /nfs/dbraw/zinc/49/23/13/1024492313.db2.gz UWKBNJGBDYBJLY-ZDUSSCGKSA-N 1 0 309.753 3.556 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271433062 1024504138 /nfs/dbraw/zinc/50/41/38/1024504138.db2.gz DJMFZZGKLSAOLR-JGGQBBKZSA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1ccc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000453437125 1024514749 /nfs/dbraw/zinc/51/47/49/1024514749.db2.gz VELUQXAETURRID-SFHVURJKSA-N 1 0 311.385 3.508 20 5 DHBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000271569216 1024543319 /nfs/dbraw/zinc/54/33/19/1024543319.db2.gz PKCQJNHSAGAGPQ-HFTRVMKXSA-N 1 0 320.433 3.709 20 5 DHBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)O1 ZINC000453628419 1024562204 /nfs/dbraw/zinc/56/22/04/1024562204.db2.gz JIOGYNPGWKRWFA-CHWSQXEVSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000585765552 1024602992 /nfs/dbraw/zinc/60/29/92/1024602992.db2.gz PZTGVICTMWSJSA-ZDUSSCGKSA-N 1 0 324.384 3.673 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000585767877 1024604956 /nfs/dbraw/zinc/60/49/56/1024604956.db2.gz UJKZHKLCSTVEND-INIZCTEOSA-N 1 0 320.433 3.845 20 5 DHBDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000296044015 1024671750 /nfs/dbraw/zinc/67/17/50/1024671750.db2.gz NIKNWBPNPHCUPS-QWHCGFSZSA-N 1 0 302.378 3.531 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1[N+](=O)[O-] ZINC000349157609 1024682370 /nfs/dbraw/zinc/68/23/70/1024682370.db2.gz ZCKJJPXAPAKEGU-SFHVURJKSA-N 1 0 320.433 3.845 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC001170305678 1024732047 /nfs/dbraw/zinc/73/20/47/1024732047.db2.gz PJSRWRGHZSCASF-ZDUSSCGKSA-N 1 0 308.422 3.805 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170317757 1024742411 /nfs/dbraw/zinc/74/24/11/1024742411.db2.gz LDLILXCTCVUXHI-JSGCOSHPSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC001170336392 1024745745 /nfs/dbraw/zinc/74/57/45/1024745745.db2.gz XKGRZGGRKRHIIS-UONOGXRCSA-N 1 0 306.406 3.656 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170353609 1024749542 /nfs/dbraw/zinc/74/95/42/1024749542.db2.gz ZXYCLSMDARBLAJ-UONOGXRCSA-N 1 0 306.406 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2CC3CCC(CC3)C2)c([N+](=O)[O-])c1 ZINC001170351645 1024760023 /nfs/dbraw/zinc/76/00/23/1024760023.db2.gz GNLVYFLUWPOFGD-NFOMZHRRSA-N 1 0 318.417 3.656 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCCC3)cs2)c1 ZINC000113311926 1024797262 /nfs/dbraw/zinc/79/72/62/1024797262.db2.gz OYENJRZWFLXVIL-UHFFFAOYSA-N 1 0 303.387 3.751 20 5 DHBDRO CCC1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728899191 1024862139 /nfs/dbraw/zinc/86/21/39/1024862139.db2.gz PTLZIBWQEBHTBB-UHFFFAOYSA-N 1 0 314.389 3.538 20 5 DHBDRO CCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000793243576 1024961503 /nfs/dbraw/zinc/96/15/03/1024961503.db2.gz SXUUKGBHTGCFKA-ZWKOTPCHSA-N 1 0 314.385 3.587 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCC34CCCC4)nc2c1 ZINC000353230282 1024992345 /nfs/dbraw/zinc/99/23/45/1024992345.db2.gz LQEIYBJYSDTJLD-OAHLLOKOSA-N 1 0 314.389 3.674 20 5 DHBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000279732525 1025202328 /nfs/dbraw/zinc/20/23/28/1025202328.db2.gz NQLHNOBDRHSDST-KBXCAEBGSA-N 1 0 314.385 3.503 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926197 1033271041 /nfs/dbraw/zinc/27/10/41/1033271041.db2.gz AMIVOQMNWLPBKW-OKZBNKHCSA-N 1 0 308.381 3.830 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000804472152 1025319067 /nfs/dbraw/zinc/31/90/67/1025319067.db2.gz UETIMVGOGXSHNH-AWEZNQCLSA-N 1 0 323.824 3.703 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc(C(F)F)nc1)c1ccccc1[N+](=O)[O-] ZINC000897460102 1025358466 /nfs/dbraw/zinc/35/84/66/1025358466.db2.gz PZEXIJZIWQQWHG-NSHDSACASA-N 1 0 321.327 3.821 20 5 DHBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804576724 1025374389 /nfs/dbraw/zinc/37/43/89/1025374389.db2.gz CFGGDCKEXLCDCX-HNNXBMFYSA-N 1 0 317.776 3.847 20 5 DHBDRO CCc1nc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000897468845 1025384702 /nfs/dbraw/zinc/38/47/02/1025384702.db2.gz ADFLAZKXACXDIP-NSHDSACASA-N 1 0 305.403 3.507 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000886002204 1025433991 /nfs/dbraw/zinc/43/39/91/1025433991.db2.gz TUGSBISFQQLTJG-INIZCTEOSA-N 1 0 318.417 3.609 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)CC1CCCC1)C1CC1 ZINC000354731857 1025493216 /nfs/dbraw/zinc/49/32/16/1025493216.db2.gz LSWYSTWWLHKAFB-QGZVFWFLSA-N 1 0 318.417 3.500 20 5 DHBDRO CC[C@@](C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000886303844 1025584899 /nfs/dbraw/zinc/58/48/99/1025584899.db2.gz HNCPXLJGBVFVMB-MRXNPFEDSA-N 1 0 303.337 3.544 20 5 DHBDRO COC1CCC(C)(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000355143553 1025616445 /nfs/dbraw/zinc/61/64/45/1025616445.db2.gz BWDVITRDKVUJFQ-ALCCZGGFSA-N 1 0 318.417 3.793 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H](C)c1cscn1 ZINC000573626203 1025737288 /nfs/dbraw/zinc/73/72/88/1025737288.db2.gz YOTZRZHSPZKXRZ-IGEMTJHASA-N 1 0 303.387 3.805 20 5 DHBDRO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000886920601 1025982104 /nfs/dbraw/zinc/98/21/04/1025982104.db2.gz COYVUONEDKEPGZ-KRWDZBQOSA-N 1 0 324.384 3.722 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)cc1F ZINC000886927547 1025985383 /nfs/dbraw/zinc/98/53/83/1025985383.db2.gz LLKZWANKPWMGNU-OAHLLOKOSA-N 1 0 304.296 3.650 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC000282970675 1026025237 /nfs/dbraw/zinc/02/52/37/1026025237.db2.gz CTJUKTYKJCLSNT-INIZCTEOSA-N 1 0 318.348 3.983 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(OC)cc1 ZINC000282970679 1026026755 /nfs/dbraw/zinc/02/67/55/1026026755.db2.gz CTJUKTYKJCLSNT-MRXNPFEDSA-N 1 0 318.348 3.983 20 5 DHBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000237007684 1026041512 /nfs/dbraw/zinc/04/15/12/1026041512.db2.gz ANQDOVBIDIWUJC-SUMWQHHRSA-N 1 0 308.422 3.605 20 5 DHBDRO COCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000122311395 1026182121 /nfs/dbraw/zinc/18/21/21/1026182121.db2.gz GFMZCDCOMDMEFN-CQSZACIVSA-N 1 0 306.406 3.842 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)c(OCCC[NH+]2CCCCC2)cc1F ZINC000808267533 1026245938 /nfs/dbraw/zinc/24/59/38/1026245938.db2.gz IZTFFNLNHXYJPO-UHFFFAOYSA-N 1 0 316.760 3.642 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000025448377 1026297273 /nfs/dbraw/zinc/29/72/73/1026297273.db2.gz YJOIARNXHGUKIL-GFCCVEGCSA-N 1 0 314.341 3.517 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000120629844 1026342505 /nfs/dbraw/zinc/34/25/05/1026342505.db2.gz JITMBYQVKDYEDN-UHFFFAOYSA-N 1 0 312.369 3.713 20 5 DHBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000178868623 1026432838 /nfs/dbraw/zinc/43/28/38/1026432838.db2.gz SIQILKYSVHXENX-KRWDZBQOSA-N 1 0 306.406 3.671 20 5 DHBDRO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000513510024 1026527430 /nfs/dbraw/zinc/52/74/30/1026527430.db2.gz XRBOAEVSSLTYNM-UGAXZCSASA-N 1 0 318.417 3.889 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000280754364 1026702687 /nfs/dbraw/zinc/70/26/87/1026702687.db2.gz BXVMZYFFZIYNJH-WFASDCNBSA-N 1 0 324.371 3.941 20 5 DHBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420283895 1026796685 /nfs/dbraw/zinc/79/66/85/1026796685.db2.gz OJQDTBIAIUIPMI-GXSJLCMTSA-N 1 0 317.311 3.543 20 5 DHBDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811479325 1027016629 /nfs/dbraw/zinc/01/66/29/1027016629.db2.gz CJTRNMFZGFVXDL-CYBMUJFWSA-N 1 0 321.204 3.542 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1F ZINC000237252120 1027040972 /nfs/dbraw/zinc/04/09/72/1027040972.db2.gz HVQSQRVQPUMHPK-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000421864425 1027071657 /nfs/dbraw/zinc/07/16/57/1027071657.db2.gz XSYPXMFPNFCXDS-QEJZJMRPSA-N 1 0 322.405 3.602 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000231883628 1027128702 /nfs/dbraw/zinc/12/87/02/1027128702.db2.gz WCSRFDUWXTXXFW-UHFFFAOYSA-N 1 0 308.740 3.986 20 5 DHBDRO CC1(C)CN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000573368918 1027285439 /nfs/dbraw/zinc/28/54/39/1027285439.db2.gz KUNRUQJNOKIXTI-GJZGRUSLSA-N 1 0 324.808 3.638 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157724225 1027357828 /nfs/dbraw/zinc/35/78/28/1027357828.db2.gz ZTMAEMCYXLUWRT-WMZOPIPTSA-N 1 0 317.433 3.510 20 5 DHBDRO CCCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC001170684914 1027384336 /nfs/dbraw/zinc/38/43/36/1027384336.db2.gz YYZPPIPXWVWZRT-GOEBONIOSA-N 1 0 322.453 3.781 20 5 DHBDRO Cc1cnn(CCCCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932179731 1027398576 /nfs/dbraw/zinc/39/85/76/1027398576.db2.gz LOTHDSBVLJKLRG-OAHLLOKOSA-N 1 0 316.405 3.621 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC000812877757 1027454406 /nfs/dbraw/zinc/45/44/06/1027454406.db2.gz GSQFSAPJTGVESA-IRXDYDNUSA-N 1 0 318.417 3.721 20 5 DHBDRO CC(F)(F)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295968651 1027504686 /nfs/dbraw/zinc/50/46/86/1027504686.db2.gz IJYNHWNLYNIDOD-UHFFFAOYSA-N 1 0 310.300 3.990 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)c(F)c1 ZINC000296047854 1027525970 /nfs/dbraw/zinc/52/59/70/1027525970.db2.gz TXDBVNYAIYJALN-AWEZNQCLSA-N 1 0 315.348 3.509 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H](C3CC3)C3CCC3)c2c1 ZINC000576109872 1027563469 /nfs/dbraw/zinc/56/34/69/1027563469.db2.gz OFSLCTVFDDNNSF-GOSISDBHSA-N 1 0 313.401 3.787 20 5 DHBDRO CCc1ccccc1[C@H]([NH3+])CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000423499718 1027563411 /nfs/dbraw/zinc/56/34/11/1027563411.db2.gz JLHJVPFZOBZUNB-FZKQIMNGSA-N 1 0 313.401 3.508 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000778949887 1027634633 /nfs/dbraw/zinc/63/46/33/1027634633.db2.gz DFQFQJNWURGQOX-WDEREUQCSA-N 1 0 302.296 3.848 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)c2ccccn2)cc1[N+](=O)[O-] ZINC000296561613 1027669676 /nfs/dbraw/zinc/66/96/76/1027669676.db2.gz SFXACLLDQLLYOD-CQSZACIVSA-N 1 0 313.401 3.927 20 5 DHBDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296639285 1027693334 /nfs/dbraw/zinc/69/33/34/1027693334.db2.gz BXYSOWYVINXDFU-PWSUYJOCSA-N 1 0 320.311 3.603 20 5 DHBDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000023004777 1027765412 /nfs/dbraw/zinc/76/54/12/1027765412.db2.gz IEBBABXYRSAXNB-CYBMUJFWSA-N 1 0 300.358 3.796 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934333887 1027968877 /nfs/dbraw/zinc/96/88/77/1027968877.db2.gz RIAQWTCLRDNOGV-CHWSQXEVSA-N 1 0 317.414 3.677 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418908 1028037631 /nfs/dbraw/zinc/03/76/31/1028037631.db2.gz RIVSGLDEUQRGKY-SJCJKPOMSA-N 1 0 312.369 3.509 20 5 DHBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1(O)CCCC1 ZINC000563418565 1028040084 /nfs/dbraw/zinc/04/00/84/1028040084.db2.gz POCDWEGNNTZYTI-HNNXBMFYSA-N 1 0 318.417 3.503 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000601304665 1028070659 /nfs/dbraw/zinc/07/06/59/1028070659.db2.gz ORINHEPHYAPORS-AFAVFJNCSA-N 1 0 304.390 3.593 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000601306762 1028071186 /nfs/dbraw/zinc/07/11/86/1028071186.db2.gz QMXSEEMXUOSLTB-JMJZKYOTSA-N 1 0 318.295 3.595 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccncc2)C2CC2)ccc1Cl ZINC000934695577 1028077744 /nfs/dbraw/zinc/07/77/44/1028077744.db2.gz PGBDMAFCFVEGIR-INIZCTEOSA-N 1 0 317.776 3.884 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1c[nH]c2ccccc12 ZINC000449065685 1028304921 /nfs/dbraw/zinc/30/49/21/1028304921.db2.gz VOJSUXVMIPWJJO-AWEZNQCLSA-N 1 0 323.396 3.839 20 5 DHBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000564100245 1028305477 /nfs/dbraw/zinc/30/54/77/1028305477.db2.gz OFMAJVWUYMKWHV-FNORWQNLSA-N 1 0 302.296 3.786 20 5 DHBDRO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000579027403 1028305623 /nfs/dbraw/zinc/30/56/23/1028305623.db2.gz FDQLNPFRORDSIW-XPKDYRNWSA-N 1 0 320.458 3.790 20 5 DHBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449092767 1028365640 /nfs/dbraw/zinc/36/56/40/1028365640.db2.gz UFVQUBUPSHBTFI-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO Cc1nc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449119672 1028375509 /nfs/dbraw/zinc/37/55/09/1028375509.db2.gz AMFRPCXSCUDDCV-MNOVXSKESA-N 1 0 305.403 3.642 20 5 DHBDRO Cc1nc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449119677 1028378144 /nfs/dbraw/zinc/37/81/44/1028378144.db2.gz AMFRPCXSCUDDCV-WDEREUQCSA-N 1 0 305.403 3.642 20 5 DHBDRO O=[N+]([O-])c1cc(CNc2cc3c(c[nH+]2)CCC3)ccc1Cl ZINC000815159362 1028387332 /nfs/dbraw/zinc/38/73/32/1028387332.db2.gz RLLUKIKOZIOTQI-UHFFFAOYSA-N 1 0 303.749 3.744 20 5 DHBDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449173945 1028415946 /nfs/dbraw/zinc/41/59/46/1028415946.db2.gz OORYPWMCKJDRIB-QGPMSJSTSA-N 1 0 320.433 3.567 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000369114051 1028448487 /nfs/dbraw/zinc/44/84/87/1028448487.db2.gz YTVFJOMJZXAJTR-WBVHZDCISA-N 1 0 311.385 3.806 20 5 DHBDRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449236974 1028485477 /nfs/dbraw/zinc/48/54/77/1028485477.db2.gz MIGOKFNXEDHFPN-RYUDHWBXSA-N 1 0 319.430 3.684 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000449329463 1028538964 /nfs/dbraw/zinc/53/89/64/1028538964.db2.gz OJXNYNIHRMFRAN-FHSNZYRGSA-N 1 0 312.369 3.638 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583626 1028556169 /nfs/dbraw/zinc/55/61/69/1028556169.db2.gz KJULYMDDLKNXLV-NZBPQXDJSA-N 1 0 303.406 3.796 20 5 DHBDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600320 1028564070 /nfs/dbraw/zinc/56/40/70/1028564070.db2.gz QLWNZSLRXUHXCH-NWDGAFQWSA-N 1 0 314.389 3.546 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CSc3ccccc32)c(F)c1 ZINC000449363188 1028575006 /nfs/dbraw/zinc/57/50/06/1028575006.db2.gz LOZWZFKFRPQOJR-GFCCVEGCSA-N 1 0 318.373 3.713 20 5 DHBDRO CC1(F)CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449371765 1028583610 /nfs/dbraw/zinc/58/36/10/1028583610.db2.gz YNVNRGABWMMGBD-UHFFFAOYSA-N 1 0 304.321 3.835 20 5 DHBDRO CS[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449444499 1028643809 /nfs/dbraw/zinc/64/38/09/1028643809.db2.gz AZHSOLGHTYPVCG-HNNXBMFYSA-N 1 0 318.398 3.792 20 5 DHBDRO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000449498904 1028712648 /nfs/dbraw/zinc/71/26/48/1028712648.db2.gz LKGWUYYGIUIHBI-INMHGKMJSA-N 1 0 318.417 3.589 20 5 DHBDRO CO[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000449499311 1028714749 /nfs/dbraw/zinc/71/47/49/1028714749.db2.gz LSXYFOSUFVJAKU-OOXMNIKJSA-N 1 0 318.417 3.745 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](C)O ZINC000449546772 1028761490 /nfs/dbraw/zinc/76/14/90/1028761490.db2.gz WIPCJSCNURLFBC-SMDDNHRTSA-N 1 0 320.414 3.572 20 5 DHBDRO C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000371902181 1028776606 /nfs/dbraw/zinc/77/66/06/1028776606.db2.gz MUFUXJCNFLILHF-AWEZNQCLSA-N 1 0 318.417 3.985 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC[C@@H]1CCCCO1 ZINC000566984120 1028814884 /nfs/dbraw/zinc/81/48/84/1028814884.db2.gz XBVAWUIRGQDUCN-BBRMVZONSA-N 1 0 304.390 3.521 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000372169027 1028818396 /nfs/dbraw/zinc/81/83/96/1028818396.db2.gz COSYOLHEBYMCOA-HUUCEWRRSA-N 1 0 317.433 3.605 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CCCc2cccnc21 ZINC000372764465 1028896707 /nfs/dbraw/zinc/89/67/07/1028896707.db2.gz LASUJBVYNLJFFB-KRWDZBQOSA-N 1 0 311.385 3.808 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000372876403 1028914767 /nfs/dbraw/zinc/91/47/67/1028914767.db2.gz IHDQGPWNIWALII-MRXNPFEDSA-N 1 0 316.332 3.656 20 5 DHBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C)[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000816646676 1028972947 /nfs/dbraw/zinc/97/29/47/1028972947.db2.gz HMJTWMZIHJDPJW-RYUDHWBXSA-N 1 0 316.357 3.704 20 5 DHBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000190950004 1029223512 /nfs/dbraw/zinc/22/35/12/1029223512.db2.gz XNZALEFIKJSBCE-DZGCQCFKSA-N 1 0 316.357 3.512 20 5 DHBDRO C[C@@H]([NH3+])CCNc1nc2c(ccc3ccccc32)nc1Cl ZINC001170890005 1029346772 /nfs/dbraw/zinc/34/67/72/1029346772.db2.gz PPRJREBJLVGNPC-SNVBAGLBSA-N 1 0 300.793 3.586 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]3C3CC3)c2c1 ZINC000570360934 1029355953 /nfs/dbraw/zinc/35/59/53/1029355953.db2.gz DVGYMHADIKZPNC-NVXWUHKLSA-N 1 0 313.401 3.787 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374806654 1029464553 /nfs/dbraw/zinc/46/45/53/1029464553.db2.gz MUFCOEFAANMEKX-ACJLOTCBSA-N 1 0 312.369 3.595 20 5 DHBDRO CC(C)c1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819240403 1029510115 /nfs/dbraw/zinc/51/01/15/1029510115.db2.gz AJAPYMOHPPQILE-GOSISDBHSA-N 1 0 314.385 3.541 20 5 DHBDRO C[C@@H](CC1CCCCC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819266091 1029526354 /nfs/dbraw/zinc/52/63/54/1029526354.db2.gz DNFPDOGXSHLQLT-GUYCJALGSA-N 1 0 306.406 3.577 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000450676845 1029618775 /nfs/dbraw/zinc/61/87/75/1029618775.db2.gz QQBLWJSCRJNQDI-RDTXWAMCSA-N 1 0 314.385 3.503 20 5 DHBDRO CC(C)(C)OCCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000530389394 1029832500 /nfs/dbraw/zinc/83/25/00/1029832500.db2.gz OOWYGFYQBBRQNN-UHFFFAOYSA-N 1 0 306.406 3.548 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000530476526 1029859843 /nfs/dbraw/zinc/85/98/43/1029859843.db2.gz RXZVAWLLLUJHIQ-UQPPLGOBSA-N 1 0 317.433 3.571 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451479596 1029880985 /nfs/dbraw/zinc/88/09/85/1029880985.db2.gz NQPJXGKOUJYDHZ-CFVMTHIKSA-N 1 0 324.808 3.541 20 5 DHBDRO C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547177 1029914315 /nfs/dbraw/zinc/91/43/15/1029914315.db2.gz KMHICDFBWBYUJH-PBHICJAKSA-N 1 0 311.385 3.930 20 5 DHBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)C[N@@H+]1C1CC1 ZINC000865600421 1029934552 /nfs/dbraw/zinc/93/45/52/1029934552.db2.gz MSSCZHZOJOBLPH-NXEZZACHSA-N 1 0 311.332 3.570 20 5 DHBDRO CC(C)(C)OC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000865698673 1029977857 /nfs/dbraw/zinc/97/78/57/1029977857.db2.gz RHHXGIMLTYQBTN-UHFFFAOYSA-N 1 0 324.396 3.950 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000290297501 1029985619 /nfs/dbraw/zinc/98/56/19/1029985619.db2.gz NIDZEBOEZLAYCF-UONOGXRCSA-N 1 0 312.369 3.730 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cccs1 ZINC000866217461 1030163652 /nfs/dbraw/zinc/16/36/52/1030163652.db2.gz ZPHIRKIXKYWDMI-NSHDSACASA-N 1 0 308.378 3.559 20 5 DHBDRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866288646 1030205683 /nfs/dbraw/zinc/20/56/83/1030205683.db2.gz JPVYJZVCGTVESG-OLZOCXBDSA-N 1 0 317.364 3.719 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1nccs1 ZINC000866338768 1030239957 /nfs/dbraw/zinc/23/99/57/1030239957.db2.gz XLBVQSQFWZYWLW-GHMZBOCLSA-N 1 0 323.393 3.515 20 5 DHBDRO C[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC(F)(F)F ZINC000866376601 1030268230 /nfs/dbraw/zinc/26/82/30/1030268230.db2.gz XJHRLPFZHSNOMW-NXEZZACHSA-N 1 0 322.302 3.843 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@H]1CCSC1)C1CC1 ZINC000866403420 1030283156 /nfs/dbraw/zinc/28/31/56/1030283156.db2.gz SWDJDKIZNVZCFX-XJKSGUPXSA-N 1 0 320.458 3.649 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000866510179 1030334837 /nfs/dbraw/zinc/33/48/37/1030334837.db2.gz KMXCGUFAPXVXIF-DHSIGJKJSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000866528096 1030345775 /nfs/dbraw/zinc/34/57/75/1030345775.db2.gz BIOUKKFBTBVCBS-LSDHHAIUSA-N 1 0 318.417 3.761 20 5 DHBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000358176268 1030360188 /nfs/dbraw/zinc/36/01/88/1030360188.db2.gz NHQDMCYGKXSNSF-LBPRGKRZSA-N 1 0 305.403 3.725 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000866612521 1030401925 /nfs/dbraw/zinc/40/19/25/1030401925.db2.gz KMOOODHYUZHYKP-DOMZBBRYSA-N 1 0 302.378 3.520 20 5 DHBDRO Cc1c(C[NH2+]C2(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000533526930 1030406051 /nfs/dbraw/zinc/40/60/51/1030406051.db2.gz SGWRQCUPDCCPBF-UHFFFAOYSA-N 1 0 300.333 3.821 20 5 DHBDRO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000866621736 1030410117 /nfs/dbraw/zinc/41/01/17/1030410117.db2.gz JECJQFGBPAGIFD-CZUORRHYSA-N 1 0 304.390 3.737 20 5 DHBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000358368662 1030459134 /nfs/dbraw/zinc/45/91/34/1030459134.db2.gz OSDFGGUGMMRIFF-GOSISDBHSA-N 1 0 314.385 3.887 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCSC1 ZINC000291578960 1030557709 /nfs/dbraw/zinc/55/77/09/1030557709.db2.gz OSSYZBKFIWCGHM-MRVPVSSYSA-N 1 0 321.229 3.744 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843435278 1030560017 /nfs/dbraw/zinc/56/00/17/1030560017.db2.gz RVGYHYNUZAMFEI-CPCISQLKSA-N 1 0 321.229 3.885 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3=CCCCC3)CC2)cc1 ZINC000824537452 1030577142 /nfs/dbraw/zinc/57/71/42/1030577142.db2.gz CJUHQFSDDCVXKJ-UHFFFAOYSA-N 1 0 315.417 3.654 20 5 DHBDRO C[C@H]1Cc2cc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])ccc2O1 ZINC000926917937 1030992657 /nfs/dbraw/zinc/99/26/57/1030992657.db2.gz FCBMOPMSUCGXCV-YVEFUNNKSA-N 1 0 324.380 3.695 20 5 DHBDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000927021265 1031037953 /nfs/dbraw/zinc/03/79/53/1031037953.db2.gz MLNBNSKWWKEWEU-WCQYABFASA-N 1 0 312.435 3.518 20 5 DHBDRO CC[C@H]([NH2+][C@@H](c1cnn(C)c1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000927064949 1031060841 /nfs/dbraw/zinc/06/08/41/1031060841.db2.gz BMZHWMBYZYPPSG-DLBZAZTESA-N 1 0 316.405 3.766 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCc2cccnc21 ZINC000927063300 1031063296 /nfs/dbraw/zinc/06/32/96/1031063296.db2.gz CWBXDZZDCSSBEK-HOTGVXAUSA-N 1 0 309.369 3.644 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000927068169 1031067957 /nfs/dbraw/zinc/06/79/57/1031067957.db2.gz FIUDAUZZGHDDQN-JOQOYGCGSA-N 1 0 318.417 3.759 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc3c1OCC3)CCC2 ZINC000927089759 1031082577 /nfs/dbraw/zinc/08/25/77/1031082577.db2.gz DTPQQDBIAAEYCR-GOSISDBHSA-N 1 0 324.380 3.697 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000927165185 1031127376 /nfs/dbraw/zinc/12/73/76/1031127376.db2.gz ZYSIXFYOAONXOA-BBRMVZONSA-N 1 0 304.390 3.656 20 5 DHBDRO CC(C)C1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000292951903 1031266064 /nfs/dbraw/zinc/26/60/64/1031266064.db2.gz ITZOKRBOVXAGML-UHFFFAOYSA-N 1 0 315.373 3.571 20 5 DHBDRO COCC(C)(C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000795187486 1031304425 /nfs/dbraw/zinc/30/44/25/1031304425.db2.gz IHCPWYVZJLFMLR-UHFFFAOYSA-N 1 0 321.204 3.758 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000872044005 1031431810 /nfs/dbraw/zinc/43/18/10/1031431810.db2.gz PCXPAQQRDMUZMB-FRRDWIJNSA-N 1 0 324.446 3.782 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053905 1031442411 /nfs/dbraw/zinc/44/24/11/1031442411.db2.gz YLVYECSCSFRTEH-NXEZZACHSA-N 1 0 321.352 3.793 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCCCO ZINC000872054369 1031443312 /nfs/dbraw/zinc/44/33/12/1031443312.db2.gz UQVHITGQQXQCJJ-GFCCVEGCSA-N 1 0 312.435 3.520 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872062422 1031456883 /nfs/dbraw/zinc/45/68/83/1031456883.db2.gz MQJCVXCRPDHVFX-GXSJLCMTSA-N 1 0 323.393 3.953 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000872063701 1031458533 /nfs/dbraw/zinc/45/85/33/1031458533.db2.gz SELPNPZRANHPHZ-WFASDCNBSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063704 1031458808 /nfs/dbraw/zinc/45/88/08/1031458808.db2.gz SENPGLLNJMRRHC-MZPVMMEZSA-N 1 0 322.380 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000872064698 1031460580 /nfs/dbraw/zinc/46/05/80/1031460580.db2.gz KAEAUPKXILSMSW-SLEUVZQESA-N 1 0 324.446 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000872066699 1031462708 /nfs/dbraw/zinc/46/27/08/1031462708.db2.gz KBUIDPKEWWLXKK-MNOVXSKESA-N 1 0 312.460 3.720 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069823 1031464788 /nfs/dbraw/zinc/46/47/88/1031464788.db2.gz VMGRPWZHEORYKG-UWVGGRQHSA-N 1 0 302.296 3.820 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000872078077 1031474502 /nfs/dbraw/zinc/47/45/02/1031474502.db2.gz OZEYFOJPTUOVTP-CHWSQXEVSA-N 1 0 324.446 3.784 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000872077318 1031474887 /nfs/dbraw/zinc/47/48/87/1031474887.db2.gz FUIOLLGDKGEGRH-GVXVVHGQSA-N 1 0 310.419 3.535 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC1(O)CCC1 ZINC000872080791 1031475913 /nfs/dbraw/zinc/47/59/13/1031475913.db2.gz SGSPKAYUJCNKAZ-GFCCVEGCSA-N 1 0 324.446 3.663 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000872080284 1031476655 /nfs/dbraw/zinc/47/66/55/1031476655.db2.gz VECYBGJWVJSBCQ-XQHKEYJVSA-N 1 0 324.446 3.781 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000872084069 1031481491 /nfs/dbraw/zinc/48/14/91/1031481491.db2.gz GHIACKLZGBIKNS-MNOVXSKESA-N 1 0 310.419 3.535 20 5 DHBDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872092021 1031488099 /nfs/dbraw/zinc/48/80/99/1031488099.db2.gz MCZFCSHEGYXSLG-RYUDHWBXSA-N 1 0 312.435 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000872092528 1031489840 /nfs/dbraw/zinc/48/98/40/1031489840.db2.gz OMUMBTIBJHLIHH-WHGOUJPWSA-N 1 0 320.336 3.918 20 5 DHBDRO CC(C)OC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872117068 1031509935 /nfs/dbraw/zinc/50/99/35/1031509935.db2.gz YKEYMPQIWQNZIK-GFCCVEGCSA-N 1 0 310.369 3.732 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)O)cc1 ZINC000925309313 1031528335 /nfs/dbraw/zinc/52/83/35/1031528335.db2.gz XWINIJXVPVKIOQ-CYBMUJFWSA-N 1 0 314.385 3.673 20 5 DHBDRO COc1ccc(F)c(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000293601689 1031533158 /nfs/dbraw/zinc/53/31/58/1031533158.db2.gz OYKWYDHUNXVQIB-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000872260147 1031564863 /nfs/dbraw/zinc/56/48/63/1031564863.db2.gz JJTMQFUQFCBHEN-KRWDZBQOSA-N 1 0 318.417 3.827 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000537310342 1031567661 /nfs/dbraw/zinc/56/76/61/1031567661.db2.gz HQYQNHAJQOXKGS-FHSNZYRGSA-N 1 0 312.369 3.638 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](CCCc2cccnc2)C2CC2)c1 ZINC000929853690 1031626235 /nfs/dbraw/zinc/62/62/35/1031626235.db2.gz NXCRTOBINBAQCN-UHFFFAOYSA-N 1 0 311.385 3.587 20 5 DHBDRO CC1([NH+]2CCCCC2)CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000872663595 1031640927 /nfs/dbraw/zinc/64/09/27/1031640927.db2.gz LEECCMZBJYZMEH-UHFFFAOYSA-N 1 0 321.396 3.579 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(Cl)nc1 ZINC000873016757 1031693338 /nfs/dbraw/zinc/69/33/38/1031693338.db2.gz RCRKDFFXUSKUQR-UHFFFAOYSA-N 1 0 305.765 3.550 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000873101900 1031713276 /nfs/dbraw/zinc/71/32/76/1031713276.db2.gz DVRYMGDWBGAECM-HOTGVXAUSA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCC1CCOCC1 ZINC000873128717 1031717387 /nfs/dbraw/zinc/71/73/87/1031717387.db2.gz AVMWOGMGBYEWFA-UHFFFAOYSA-N 1 0 306.406 3.508 20 5 DHBDRO COCC1(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCC1 ZINC000873128211 1031718296 /nfs/dbraw/zinc/71/82/96/1031718296.db2.gz HJEWEAGXBLLACN-UHFFFAOYSA-N 1 0 306.406 3.508 20 5 DHBDRO COCC(C)(C)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000873153004 1031726503 /nfs/dbraw/zinc/72/65/03/1031726503.db2.gz RVXVGXWLTBUSQT-UVTDQMKNSA-N 1 0 306.406 3.650 20 5 DHBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000873215302 1031760707 /nfs/dbraw/zinc/76/07/07/1031760707.db2.gz WHORIJDQNDPMJS-GOEBONIOSA-N 1 0 317.776 3.675 20 5 DHBDRO C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846192059 1031923471 /nfs/dbraw/zinc/92/34/71/1031923471.db2.gz WEAJIQPXUTZWJQ-GDLCADMTSA-N 1 0 300.761 3.950 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccnc1C ZINC000898253952 1032005107 /nfs/dbraw/zinc/00/51/07/1032005107.db2.gz ZJRCFPSZRLJTAC-SDNWHVSQSA-N 1 0 311.385 3.534 20 5 DHBDRO COc1cc(C[N@H+](C)C2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000361611176 1032013538 /nfs/dbraw/zinc/01/35/38/1032013538.db2.gz QNSURWYYYZPOLC-UHFFFAOYSA-N 1 0 310.369 3.753 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1Cl ZINC000898321887 1032020985 /nfs/dbraw/zinc/02/09/85/1032020985.db2.gz DRSVZJCQTOSVKH-MRXNPFEDSA-N 1 0 317.776 3.884 20 5 DHBDRO C[C@H]([N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C(C)(C)C ZINC000777955822 1032044266 /nfs/dbraw/zinc/04/42/66/1032044266.db2.gz YSFHCUIWMZBSNW-ZDUSSCGKSA-N 1 0 316.405 3.782 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000136940553 1033318695 /nfs/dbraw/zinc/31/86/95/1033318695.db2.gz WGJREWZSSFLUMJ-HZPDHXFCSA-N 1 0 318.398 3.527 20 5 DHBDRO COC(C)(C)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877707852 1033417443 /nfs/dbraw/zinc/41/74/43/1033417443.db2.gz LWPXVZVIURTMHF-UHFFFAOYSA-N 1 0 320.311 3.518 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccccc1F)CC2 ZINC001172899263 1033435715 /nfs/dbraw/zinc/43/57/15/1033435715.db2.gz VWLVGNXOCHEFBV-INIZCTEOSA-N 1 0 314.360 3.771 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1nccs1 ZINC001172902072 1033437897 /nfs/dbraw/zinc/43/78/97/1033437897.db2.gz UTYHRAKCWRAWGQ-SMDDNHRTSA-N 1 0 317.414 3.650 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1C3)CC2 ZINC001172904703 1033438306 /nfs/dbraw/zinc/43/83/06/1033438306.db2.gz FTHCYIIJIIXJOR-BLBBIFAFSA-N 1 0 300.402 3.620 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H](F)CC1)CC2 ZINC001172907096 1033439235 /nfs/dbraw/zinc/43/92/35/1033439235.db2.gz CVZOVIHBJDQWJZ-JKSUJKDBSA-N 1 0 306.381 3.666 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@]3(CC3(F)F)C1)CC2 ZINC001172917675 1033464024 /nfs/dbraw/zinc/46/40/24/1033464024.db2.gz WLAVDUHSEFJPKS-GDBMZVCRSA-N 1 0 322.355 3.573 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1C[C@@H]3CCCC[C@H]3C1)CC2 ZINC001172920984 1033469900 /nfs/dbraw/zinc/46/99/00/1033469900.db2.gz NDOBHGNAYSJWSW-BZSNNMDCSA-N 1 0 314.429 3.964 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(CNc3ccc4c([nH+]3)CCCC4)nc2c1 ZINC000877827924 1033476202 /nfs/dbraw/zinc/47/62/02/1033476202.db2.gz ABMADXGYWHHPDH-UHFFFAOYSA-N 1 0 324.340 3.622 20 5 DHBDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909571 1033482874 /nfs/dbraw/zinc/48/28/74/1033482874.db2.gz SOBDBTVHJPSZIK-URLYELCFSA-N 1 0 302.418 3.866 20 5 DHBDRO CCC[N@H+](CC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878002200 1033547529 /nfs/dbraw/zinc/54/75/29/1033547529.db2.gz QGBHMNSLDJDXCT-UHFFFAOYSA-N 1 0 324.768 3.530 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCC(C)CC2)c1F ZINC001173174868 1033581964 /nfs/dbraw/zinc/58/19/64/1033581964.db2.gz DXXVGQUHFPSNKO-OTTFEQOBSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2ccoc2)c1F ZINC001173185662 1033583735 /nfs/dbraw/zinc/58/37/35/1033583735.db2.gz CGFXKSNLKHLSID-MNOVXSKESA-N 1 0 322.336 3.617 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2[C@H](C)CC[C@@H]2C)c1F ZINC001173184162 1033584995 /nfs/dbraw/zinc/58/49/95/1033584995.db2.gz LQPMDKGDHCIRTQ-HBGPKNEHSA-N 1 0 324.396 3.698 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(C)(C)CC2)c1F ZINC001173187619 1033585083 /nfs/dbraw/zinc/58/50/83/1033585083.db2.gz BCANQHPJBHOCQN-GFCCVEGCSA-N 1 0 324.396 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC3CCC2CC3)c1F ZINC001173195451 1033586942 /nfs/dbraw/zinc/58/69/42/1033586942.db2.gz GBYAIFVYYHRZCW-HIFPTAJRSA-N 1 0 322.380 3.548 20 5 DHBDRO Cc1ccc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001173215094 1033597715 /nfs/dbraw/zinc/59/77/15/1033597715.db2.gz RWHPREWFXCPSGX-GFCCVEGCSA-N 1 0 304.415 3.728 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC001173219627 1033599815 /nfs/dbraw/zinc/59/98/15/1033599815.db2.gz FDWRCQKCXCOPNB-ZDUSSCGKSA-N 1 0 314.360 3.944 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001173223416 1033603551 /nfs/dbraw/zinc/60/35/51/1033603551.db2.gz IPMDOMAVVJDLSS-WBVHZDCISA-N 1 0 324.424 3.921 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2ccncc21 ZINC001173224771 1033603948 /nfs/dbraw/zinc/60/39/48/1033603948.db2.gz GZYDSLXRZFFIOO-ACJLOTCBSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2ccncc21 ZINC001173224792 1033604008 /nfs/dbraw/zinc/60/40/08/1033604008.db2.gz GZYDSLXRZFFIOO-UGSOOPFHSA-N 1 0 311.385 3.588 20 5 DHBDRO Cc1cc2c(cn1)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173226503 1033605645 /nfs/dbraw/zinc/60/56/45/1033605645.db2.gz XJBSRMOMNPOGLK-UGSOOPFHSA-N 1 0 311.385 3.506 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC001173231214 1033606191 /nfs/dbraw/zinc/60/61/91/1033606191.db2.gz KKJZBFJGIGYWKL-GJZGRUSLSA-N 1 0 310.397 3.973 20 5 DHBDRO Cc1ccc2c(c1)C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173226511 1033606518 /nfs/dbraw/zinc/60/65/18/1033606518.db2.gz MIZFYJXVCDPOGN-HNNXBMFYSA-N 1 0 310.397 3.893 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001173233454 1033609029 /nfs/dbraw/zinc/60/90/29/1033609029.db2.gz IVMFWJXDJYGXRC-KPZWWZAWSA-N 1 0 314.360 3.942 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ccccc2n1 ZINC001173214177 1033613688 /nfs/dbraw/zinc/61/36/88/1033613688.db2.gz MPJKEXCLMFWKHX-CQSZACIVSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(CC[NH3+])c2ccccc21 ZINC001173212252 1033614145 /nfs/dbraw/zinc/61/41/45/1033614145.db2.gz YMPXQDSJGOAFIR-CQSZACIVSA-N 1 0 323.396 3.854 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnc2ccccc2c1 ZINC001173212967 1033614159 /nfs/dbraw/zinc/61/41/59/1033614159.db2.gz DPHQEMHEOGIHBV-AWEZNQCLSA-N 1 0 321.380 3.864 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000878371616 1033678943 /nfs/dbraw/zinc/67/89/43/1033678943.db2.gz YLTQUUKEKXQWRP-HZPDHXFCSA-N 1 0 304.390 3.737 20 5 DHBDRO COC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC(C)CC1 ZINC000479484920 1033773807 /nfs/dbraw/zinc/77/38/07/1033773807.db2.gz AAYRUJYZSPLBMO-UUCFBXCCSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H](CCO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000479494250 1033780593 /nfs/dbraw/zinc/78/05/93/1033780593.db2.gz CJXRWJWBFMHZJM-RHSMWYFYSA-N 1 0 320.433 3.885 20 5 DHBDRO CCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OCC ZINC000862434762 1033850713 /nfs/dbraw/zinc/85/07/13/1033850713.db2.gz GOAZVPZAJPISIA-GFCCVEGCSA-N 1 0 300.786 3.543 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000479863691 1033937851 /nfs/dbraw/zinc/93/78/51/1033937851.db2.gz MMXZVSLGIYBOHP-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO Cc1c([C@@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000479885818 1033947555 /nfs/dbraw/zinc/94/75/55/1033947555.db2.gz PGTGYGCEPNOWRC-GDBMZVCRSA-N 1 0 319.449 3.818 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC1(F)CCC1)C1CC1 ZINC000554086860 1033957119 /nfs/dbraw/zinc/95/71/19/1033957119.db2.gz REWWBKBXZDYVLW-OAHLLOKOSA-N 1 0 306.381 3.788 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175051059 1033977350 /nfs/dbraw/zinc/97/73/50/1033977350.db2.gz WJYMLQHCVKZQSZ-KRWDZBQOSA-N 1 0 313.401 3.902 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000804 1034177691 /nfs/dbraw/zinc/17/76/91/1034177691.db2.gz KXFPYIRUCCRRGU-ZWNOBZJWSA-N 1 0 302.296 3.930 20 5 DHBDRO Cc1[nH+]ccc(N2CCc3c(cccc3[N+](=O)[O-])C2)c1Cl ZINC000554592794 1034230962 /nfs/dbraw/zinc/23/09/62/1034230962.db2.gz RWYIDAIZKVXHOF-UHFFFAOYSA-N 1 0 303.749 3.514 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000480619844 1034354719 /nfs/dbraw/zinc/35/47/19/1034354719.db2.gz BHYAQNAHDNOUKT-KBMXLJTQSA-N 1 0 319.449 3.674 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C(F)(F)F ZINC000480667552 1034382633 /nfs/dbraw/zinc/38/26/33/1034382633.db2.gz RQSPZXWQLRDHDB-WDEREUQCSA-N 1 0 304.312 3.704 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2C)c([N+](=O)[O-])cc1F ZINC000184298241 1034463057 /nfs/dbraw/zinc/46/30/57/1034463057.db2.gz MZOJUFHXUQPWNY-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000555228828 1034570711 /nfs/dbraw/zinc/57/07/11/1034570711.db2.gz KJLHZRFVCSRQDS-IINYFYTJSA-N 1 0 310.419 3.538 20 5 DHBDRO CC1(C)CCC(C)(C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001174724951 1034581540 /nfs/dbraw/zinc/58/15/40/1034581540.db2.gz LJENLZPIBBOTOC-OAHLLOKOSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1c(C[NH2+]C[C@@H]2CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000323531076 1034590525 /nfs/dbraw/zinc/59/05/25/1034590525.db2.gz WXGNAPYXQVEAJO-HNNXBMFYSA-N 1 0 312.369 3.559 20 5 DHBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481187228 1034641742 /nfs/dbraw/zinc/64/17/42/1034641742.db2.gz FUCCUYZXNZWKLS-HIFRSBDPSA-N 1 0 322.405 3.541 20 5 DHBDRO C[C@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000555422291 1034690288 /nfs/dbraw/zinc/69/02/88/1034690288.db2.gz SDYZMKQGHRNBGP-CYBMUJFWSA-N 1 0 303.406 3.564 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000777438763 1034743370 /nfs/dbraw/zinc/74/33/70/1034743370.db2.gz DHAAOVAMASMMPF-MRXNPFEDSA-N 1 0 324.808 3.639 20 5 DHBDRO C[C@]1(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCCS1 ZINC000600135825 1034760239 /nfs/dbraw/zinc/76/02/39/1034760239.db2.gz MRYPOYCCZDMLQB-CQSZACIVSA-N 1 0 314.838 3.666 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000481976070 1035038981 /nfs/dbraw/zinc/03/89/81/1035038981.db2.gz XROYFRFTWWSINV-CVEARBPZSA-N 1 0 319.449 3.674 20 5 DHBDRO CCC(C)(C)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159429750 1035050676 /nfs/dbraw/zinc/05/06/76/1035050676.db2.gz UGUOCVDBWCCOGR-UHFFFAOYSA-N 1 0 315.211 3.978 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000159855745 1035097563 /nfs/dbraw/zinc/09/75/63/1035097563.db2.gz GZCPVAPJIBVGIT-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO CCCCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000482692274 1035163121 /nfs/dbraw/zinc/16/31/21/1035163121.db2.gz LUYLYDWVZOJNEA-UHFFFAOYSA-N 1 0 304.394 3.872 20 5 DHBDRO CCC(CC)[N@H+](CCOC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042616369 1035228848 /nfs/dbraw/zinc/22/88/48/1035228848.db2.gz PKZBZRMCHNTYSC-UHFFFAOYSA-N 1 0 314.813 3.885 20 5 DHBDRO COc1cc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000484156631 1035322854 /nfs/dbraw/zinc/32/28/54/1035322854.db2.gz GNUXUFPOORBQOQ-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1(C)CC1 ZINC001176767672 1035329220 /nfs/dbraw/zinc/32/92/20/1035329220.db2.gz QCAUPYWJJUQPDY-VIFPVBQESA-N 1 0 302.296 3.892 20 5 DHBDRO CCC[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000484481185 1035345178 /nfs/dbraw/zinc/34/51/78/1035345178.db2.gz DBESNXJQZGAHTR-BZSNNMDCSA-N 1 0 320.433 3.967 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCCC(C)(C)CO)cc1[N+](=O)[O-] ZINC001177898056 1035397015 /nfs/dbraw/zinc/39/70/15/1035397015.db2.gz KVZYYXRMUVPLIW-UHFFFAOYSA-N 1 0 308.422 3.607 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC000924799732 1035434457 /nfs/dbraw/zinc/43/44/57/1035434457.db2.gz UGYYBSWXQCKBCJ-QWHCGFSZSA-N 1 0 314.389 3.928 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC[C@@H](O)C2CCCC2)cc1[N+](=O)[O-] ZINC001179401723 1035475716 /nfs/dbraw/zinc/47/57/16/1035475716.db2.gz JDGSDEHBOKKKDX-GOSISDBHSA-N 1 0 320.433 3.749 20 5 DHBDRO CCC1(CC)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCS1 ZINC001193131570 1035575826 /nfs/dbraw/zinc/57/58/26/1035575826.db2.gz VDOWIMSXAFIWTN-UHFFFAOYSA-N 1 0 324.446 3.581 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)ccc1[N+](=O)[O-] ZINC000485470928 1035672552 /nfs/dbraw/zinc/67/25/52/1035672552.db2.gz AWEQJESSMCVJHS-SFHVURJKSA-N 1 0 316.401 3.926 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000535553046 1035688142 /nfs/dbraw/zinc/68/81/42/1035688142.db2.gz GIKNKLPDFYBBMY-CQSZACIVSA-N 1 0 313.401 3.854 20 5 DHBDRO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001193743599 1035713308 /nfs/dbraw/zinc/71/33/08/1035713308.db2.gz QTJMDDUZPJXWLK-YJBOKZPZSA-N 1 0 320.433 3.664 20 5 DHBDRO C[C@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001181267926 1035878233 /nfs/dbraw/zinc/87/82/33/1035878233.db2.gz WOQQHJUBRWRWFK-NWDGAFQWSA-N 1 0 302.378 3.530 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000485748449 1035937649 /nfs/dbraw/zinc/93/76/49/1035937649.db2.gz XDLPWHMJYLIFAE-MRXNPFEDSA-N 1 0 312.369 3.941 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000462931582 1035971598 /nfs/dbraw/zinc/97/15/98/1035971598.db2.gz XFPDMDDQFYOSPN-KRWDZBQOSA-N 1 0 321.421 3.526 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCSCC(F)(F)F)cc1[N+](=O)[O-] ZINC000540152188 1035990106 /nfs/dbraw/zinc/99/01/06/1035990106.db2.gz XEDMWFNXXMUQIJ-JTQLQIEISA-N 1 0 322.352 3.849 20 5 DHBDRO CCc1cnccc1[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540651416 1036125523 /nfs/dbraw/zinc/12/55/23/1036125523.db2.gz AHYOKRVTGOYLFZ-QPBFKRLHSA-N 1 0 311.385 3.916 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000027211591 1036218028 /nfs/dbraw/zinc/21/80/28/1036218028.db2.gz AQLQYEKHUOOWAR-LBPRGKRZSA-N 1 0 318.348 3.936 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC001182327982 1036230158 /nfs/dbraw/zinc/23/01/58/1036230158.db2.gz XDPMTGNXKLYVBW-QGZVFWFLSA-N 1 0 320.458 3.931 20 5 DHBDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000774411862 1036321607 /nfs/dbraw/zinc/32/16/07/1036321607.db2.gz SKMUNWKGQSHNST-MSOLQXFVSA-N 1 0 314.385 3.615 20 5 DHBDRO COc1ccc2c(c1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000609133927 1036396062 /nfs/dbraw/zinc/39/60/62/1036396062.db2.gz LXQKNUWWZUIEMZ-UHFFFAOYSA-N 1 0 312.369 3.552 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCOc1ccccc1F ZINC000541774004 1036422967 /nfs/dbraw/zinc/42/29/67/1036422967.db2.gz HQQVUIPKINGVHR-UHFFFAOYSA-N 1 0 318.348 3.553 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000541772463 1036429174 /nfs/dbraw/zinc/42/91/74/1036429174.db2.gz AIOMIDPWBQWKBL-SFHVURJKSA-N 1 0 318.417 3.827 20 5 DHBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC001196328456 1036503933 /nfs/dbraw/zinc/50/39/33/1036503933.db2.gz AEASWSVNUYCBHQ-OAHLLOKOSA-N 1 0 304.390 3.845 20 5 DHBDRO Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000271745117 1036511029 /nfs/dbraw/zinc/51/10/29/1036511029.db2.gz DITISDSGSNHWPD-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO COCC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000491482777 1036591342 /nfs/dbraw/zinc/59/13/42/1036591342.db2.gz CZURGGKCKXGONV-UHFFFAOYSA-N 1 0 318.373 3.617 20 5 DHBDRO CC[N@H+](CCNc1cc(C)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000491800343 1036642372 /nfs/dbraw/zinc/64/23/72/1036642372.db2.gz ASGXKVJBKZVSPC-UHFFFAOYSA-N 1 0 319.327 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C/C=C/c2ccncc2)cc1 ZINC000487315468 1036663724 /nfs/dbraw/zinc/66/37/24/1036663724.db2.gz GOLQCXPMQHOIPV-HWKANZROSA-N 1 0 311.385 3.616 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3ccccc3C2)c(F)c1 ZINC001184105847 1036742881 /nfs/dbraw/zinc/74/28/81/1036742881.db2.gz GWEPWJGLUJAVSH-MRXNPFEDSA-N 1 0 314.360 3.771 20 5 DHBDRO CCC(CC)(C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000492228570 1036789195 /nfs/dbraw/zinc/78/91/95/1036789195.db2.gz XEWQIVRSEFTHOW-GXDHUFHOSA-N 1 0 306.406 3.793 20 5 DHBDRO Cc1ccn2c(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cnc2c1 ZINC000492330904 1036829218 /nfs/dbraw/zinc/82/92/18/1036829218.db2.gz BWJYOGCXIQOIOR-UHFFFAOYSA-N 1 0 324.384 3.576 20 5 DHBDRO CCOc1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000492631542 1036949309 /nfs/dbraw/zinc/94/93/09/1036949309.db2.gz PYPXGZOSNCPYLH-HUUCEWRRSA-N 1 0 304.390 3.616 20 5 DHBDRO CC(C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001184831257 1036958394 /nfs/dbraw/zinc/95/83/94/1036958394.db2.gz UAQOBJWFBZTOCC-KRWDZBQOSA-N 1 0 323.412 3.902 20 5 DHBDRO O=[N+]([O-])c1c(NCC[NH+]2CCCCC2)cccc1C(F)(F)F ZINC001184839485 1036962611 /nfs/dbraw/zinc/96/26/11/1036962611.db2.gz JXJLPVCCHQIGCO-UHFFFAOYSA-N 1 0 317.311 3.511 20 5 DHBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC001185098250 1037024802 /nfs/dbraw/zinc/02/48/02/1037024802.db2.gz KISLLCCZTMOWBI-AWEZNQCLSA-N 1 0 309.385 3.800 20 5 DHBDRO CCC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774837466 1037056531 /nfs/dbraw/zinc/05/65/31/1037056531.db2.gz XTODSJJAWAWKBT-UHFFFAOYSA-N 1 0 321.377 3.904 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001198800932 1037138476 /nfs/dbraw/zinc/13/84/76/1037138476.db2.gz NNWMITOICIVDKM-CZUORRHYSA-N 1 0 306.406 3.793 20 5 DHBDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774876770 1037141835 /nfs/dbraw/zinc/14/18/35/1037141835.db2.gz RXOKICIIRSGAHP-CQSZACIVSA-N 1 0 307.350 3.514 20 5 DHBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C1CCCCC1 ZINC001198943392 1037166907 /nfs/dbraw/zinc/16/69/07/1037166907.db2.gz ZGDGILVLKRGLCX-UHFFFAOYSA-N 1 0 313.195 3.780 20 5 DHBDRO CSC[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000076769271 1037235812 /nfs/dbraw/zinc/23/58/12/1037235812.db2.gz PGOMRYRCZGQQGJ-SNVBAGLBSA-N 1 0 323.443 3.559 20 5 DHBDRO COc1cc(CN2CCc3ccccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000489157381 1037291619 /nfs/dbraw/zinc/29/16/19/1037291619.db2.gz WETMEMJFTZHKAS-ZDUSSCGKSA-N 1 0 312.369 3.723 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000323767112 1037392462 /nfs/dbraw/zinc/39/24/62/1037392462.db2.gz WOJKDTMEKCXMEG-GFCCVEGCSA-N 1 0 313.195 3.636 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000194414836 1037487058 /nfs/dbraw/zinc/48/70/58/1037487058.db2.gz QFZZAQCXEKAODQ-MRXNPFEDSA-N 1 0 314.410 3.964 20 5 DHBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC001186872267 1037508840 /nfs/dbraw/zinc/50/88/40/1037508840.db2.gz LQQSXBJBVNAUGU-LSDHHAIUSA-N 1 0 309.797 3.677 20 5 DHBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000493898674 1037592105 /nfs/dbraw/zinc/59/21/05/1037592105.db2.gz XZJAPAKVLYIHPO-RDTXWAMCSA-N 1 0 314.385 3.503 20 5 DHBDRO CC[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491135801 1037916322 /nfs/dbraw/zinc/91/63/22/1037916322.db2.gz NQICRLDZEGCFKR-UHFFFAOYSA-N 1 0 302.349 3.799 20 5 DHBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000917041074 1038123724 /nfs/dbraw/zinc/12/37/24/1038123724.db2.gz YBOXJZKEXUXTGD-CQSZACIVSA-N 1 0 312.369 3.593 20 5 DHBDRO CC[C@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000775391398 1038332207 /nfs/dbraw/zinc/33/22/07/1038332207.db2.gz ULMHHFRPOVVVIU-ROUUACIJSA-N 1 0 314.385 3.543 20 5 DHBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCC1CCCCC1 ZINC001190707684 1038367114 /nfs/dbraw/zinc/36/71/14/1038367114.db2.gz LQXGJGCIVNXYCW-UHFFFAOYSA-N 1 0 306.406 3.876 20 5 DHBDRO C[C@H]1[C@@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000588854689 1038387163 /nfs/dbraw/zinc/38/71/63/1038387163.db2.gz AMPDOGPEJFXCEI-JSGCOSHPSA-N 1 0 317.414 3.731 20 5 DHBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])s1 ZINC000588858664 1038390489 /nfs/dbraw/zinc/39/04/89/1038390489.db2.gz XRBFURSIAGXIOQ-GFCCVEGCSA-N 1 0 305.403 3.589 20 5 DHBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000588866414 1038390585 /nfs/dbraw/zinc/39/05/85/1038390585.db2.gz UONCBIKJVLJSQE-ZDUSSCGKSA-N 1 0 316.405 3.675 20 5 DHBDRO CC[C@@H](C)[C@@H](C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001190911989 1038407145 /nfs/dbraw/zinc/40/71/45/1038407145.db2.gz AFPQGVUBKJXXKZ-ZIAGYGMSSA-N 1 0 306.406 3.873 20 5 DHBDRO C[C@@H](CF)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000588930923 1038409543 /nfs/dbraw/zinc/40/95/43/1038409543.db2.gz ZOSYHGGWUGJWOR-ZDUSSCGKSA-N 1 0 317.364 3.810 20 5 DHBDRO CCOc1cc(C[NH+]2CCC(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001191014106 1038419693 /nfs/dbraw/zinc/41/96/93/1038419693.db2.gz XLERZMQLEZFZMU-UHFFFAOYSA-N 1 0 306.406 3.862 20 5 DHBDRO CSc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000589316147 1038463379 /nfs/dbraw/zinc/46/33/79/1038463379.db2.gz TXEIAHKGXVQGKH-UHFFFAOYSA-N 1 0 308.428 3.711 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CC(C)C)CC1 ZINC001191498731 1038517217 /nfs/dbraw/zinc/51/72/17/1038517217.db2.gz ZVJPBUJYTHOARU-UHFFFAOYSA-N 1 0 306.406 3.862 20 5 DHBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001191744089 1038541784 /nfs/dbraw/zinc/54/17/84/1038541784.db2.gz YJPCMWJIDNJDDP-JKSUJKDBSA-N 1 0 306.406 3.620 20 5 DHBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001192173264 1038598662 /nfs/dbraw/zinc/59/86/62/1038598662.db2.gz HLALPGJZLCQODO-WMLDXEAASA-N 1 0 306.406 3.874 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000590203760 1038601846 /nfs/dbraw/zinc/60/18/46/1038601846.db2.gz ZCOTXRDAFDVAOK-GJZGRUSLSA-N 1 0 304.390 3.614 20 5 DHBDRO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984990 1038652336 /nfs/dbraw/zinc/65/23/36/1038652336.db2.gz UTWLJFHLCPJBKU-BLLLJJGKSA-N 1 0 300.358 3.786 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590601959 1038675694 /nfs/dbraw/zinc/67/56/94/1038675694.db2.gz UFHIDMTXLRNZMG-ZBFHGGJFSA-N 1 0 311.385 3.930 20 5 DHBDRO C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000590780196 1038703868 /nfs/dbraw/zinc/70/38/68/1038703868.db2.gz YHYQNZQALKRMGY-PWQPVHBWSA-N 1 0 314.332 3.796 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC[C@H]2CC2(F)F)o1 ZINC000598646194 1038805988 /nfs/dbraw/zinc/80/59/88/1038805988.db2.gz CRRYSUWDSNMDCN-NSHDSACASA-N 1 0 322.311 3.990 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@H]3CC3(F)F)o2)c1 ZINC000598646585 1038811107 /nfs/dbraw/zinc/81/11/07/1038811107.db2.gz HPPGTNWWPNHJHI-LBPRGKRZSA-N 1 0 322.311 3.990 20 5 DHBDRO C[C@@H]1CC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000591348272 1038836923 /nfs/dbraw/zinc/83/69/23/1038836923.db2.gz JCVDIHHCBUBXHA-SNUQEOBHSA-N 1 0 318.417 3.908 20 5 DHBDRO CC(C)NC(=O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000061016611 1038880827 /nfs/dbraw/zinc/88/08/27/1038880827.db2.gz LHOJZXUMXPHIEC-UHFFFAOYSA-N 1 0 306.409 3.607 20 5 DHBDRO CC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)[C@@H](C)C(C)C ZINC000761290086 1038881667 /nfs/dbraw/zinc/88/16/67/1038881667.db2.gz KVKYMBCRTXXOEG-ZDUSSCGKSA-N 1 0 304.394 3.577 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000598988871 1038964304 /nfs/dbraw/zinc/96/43/04/1038964304.db2.gz DINRABPQGRPXNN-IXDOHACOSA-N 1 0 314.772 3.676 20 5 DHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H]2CC=CCC2)n1 ZINC000599073095 1039030448 /nfs/dbraw/zinc/03/04/48/1039030448.db2.gz KVMJYGIRKWVUMM-OWCLPIDISA-N 1 0 318.421 3.611 20 5 DHBDRO CC(C)c1ccc(C[NH+]2CCC([C@@H](C)CO)CC2)cc1[N+](=O)[O-] ZINC000593675639 1039039522 /nfs/dbraw/zinc/03/95/22/1039039522.db2.gz ADLGATBDGQAJJZ-AWEZNQCLSA-N 1 0 320.433 3.559 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000593714945 1039093422 /nfs/dbraw/zinc/09/34/22/1039093422.db2.gz CQAGBMIEPNOKIT-SCLBCKFNSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593717245 1039105355 /nfs/dbraw/zinc/10/53/55/1039105355.db2.gz WTCYBUQOSVGGSP-SCLBCKFNSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000592140176 1039133359 /nfs/dbraw/zinc/13/33/59/1039133359.db2.gz NNLOFPASFWHBQZ-GDBMZVCRSA-N 1 0 311.385 3.849 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183149 1039163204 /nfs/dbraw/zinc/16/32/04/1039163204.db2.gz RURKPMQXSBNOEL-ZIAGYGMSSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@@H]1CC2(C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl)CCOCC2 ZINC000592185088 1039173259 /nfs/dbraw/zinc/17/32/59/1039173259.db2.gz VICSQABDIPXDDF-GFCCVEGCSA-N 1 0 324.808 3.639 20 5 DHBDRO CC[N@H+](CCSC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000592201248 1039181070 /nfs/dbraw/zinc/18/10/70/1039181070.db2.gz DQLNSFHDBMSOET-UHFFFAOYSA-N 1 0 322.352 3.799 20 5 DHBDRO CC(C)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000603850743 1039182519 /nfs/dbraw/zinc/18/25/19/1039182519.db2.gz AEQASURLLGPOTF-SFHVURJKSA-N 1 0 314.385 3.961 20 5 DHBDRO CC[N@H+](CCc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000603852399 1039186320 /nfs/dbraw/zinc/18/63/20/1039186320.db2.gz XETQSJDJVJOSGC-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553671 1039211496 /nfs/dbraw/zinc/21/14/96/1039211496.db2.gz YILPDCURSZKIRI-YUELXQCFSA-N 1 0 306.431 3.934 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1F ZINC000593062464 1039355621 /nfs/dbraw/zinc/35/56/21/1039355621.db2.gz ZBKYXBKUEPPSDT-HNNXBMFYSA-N 1 0 318.348 3.983 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000129824974 1039787585 /nfs/dbraw/zinc/78/75/85/1039787585.db2.gz PALHIHTWSZUUBB-CQSZACIVSA-N 1 0 306.406 3.639 20 5 DHBDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CS1 ZINC000594504037 1039804630 /nfs/dbraw/zinc/80/46/30/1039804630.db2.gz FXLGLGFEMVLKNZ-MFKMUULPSA-N 1 0 314.838 3.664 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594512899 1039817656 /nfs/dbraw/zinc/81/76/56/1039817656.db2.gz SPOJYQJDTQOFQY-MORSLUCNSA-N 1 0 318.417 3.902 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594517301 1039826211 /nfs/dbraw/zinc/82/62/11/1039826211.db2.gz APNZDCQXXZMHKB-LESCRADOSA-N 1 0 317.433 3.571 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCCCO1 ZINC000594522492 1039829779 /nfs/dbraw/zinc/82/97/79/1039829779.db2.gz YSCNLPOEWUSJCO-QRTARXTBSA-N 1 0 306.406 3.902 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594612899 1039872731 /nfs/dbraw/zinc/87/27/31/1039872731.db2.gz OUBJFSDCZQVKRV-BBOMDTFKSA-N 1 0 316.401 3.642 20 5 DHBDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594738855 1039901807 /nfs/dbraw/zinc/90/18/07/1039901807.db2.gz IDDBPBJLHZOADR-INIZCTEOSA-N 1 0 317.776 3.608 20 5 DHBDRO CCOc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000594923765 1039929873 /nfs/dbraw/zinc/92/98/73/1039929873.db2.gz FVCUROVXGZRQQP-UHFFFAOYSA-N 1 0 300.358 3.592 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026275 1039951284 /nfs/dbraw/zinc/95/12/84/1039951284.db2.gz HYUUKDDALPPGGR-GUYCJALGSA-N 1 0 304.390 3.689 20 5 DHBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000594989609 1040007410 /nfs/dbraw/zinc/00/74/10/1040007410.db2.gz VCRTYKLEPUCUHL-QWHCGFSZSA-N 1 0 324.446 3.872 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1sccc1C ZINC000595010536 1040021166 /nfs/dbraw/zinc/02/11/66/1040021166.db2.gz XSMRSHOABUTALF-LLVKDONJSA-N 1 0 306.387 3.824 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595056862 1040022113 /nfs/dbraw/zinc/02/21/13/1040022113.db2.gz RWNJGGCBOYGVDZ-GOEBONIOSA-N 1 0 305.422 3.508 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000595032663 1040039999 /nfs/dbraw/zinc/03/99/99/1040039999.db2.gz KMPMJXIZRKBTOV-DTWKUNHWSA-N 1 0 306.284 3.595 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000595046174 1040048597 /nfs/dbraw/zinc/04/85/97/1040048597.db2.gz JDMXLCMTCNDEGN-YRGRVCCFSA-N 1 0 322.405 3.600 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC(C)(C)C1 ZINC000595047943 1040051760 /nfs/dbraw/zinc/05/17/60/1040051760.db2.gz INUKWNZXWMJLDL-CHWSQXEVSA-N 1 0 324.446 3.623 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595054318 1040053871 /nfs/dbraw/zinc/05/38/71/1040053871.db2.gz ZQCUWTIHPFHCKK-DAXOMENPSA-N 1 0 322.405 3.602 20 5 DHBDRO COc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000595106680 1040066402 /nfs/dbraw/zinc/06/64/02/1040066402.db2.gz TUWKXOKOFYEEFE-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595075276 1040070863 /nfs/dbraw/zinc/07/08/63/1040070863.db2.gz XWYZUAVIEZHZTB-GFCCVEGCSA-N 1 0 324.446 3.787 20 5 DHBDRO C[C@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000595079546 1040071669 /nfs/dbraw/zinc/07/16/69/1040071669.db2.gz KHRBYMOSIALZGN-HUUCEWRRSA-N 1 0 310.344 3.997 20 5 DHBDRO C[C@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595078769 1040071683 /nfs/dbraw/zinc/07/16/83/1040071683.db2.gz ATVWWVAOXSQJDT-GOEBONIOSA-N 1 0 317.433 3.652 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCc1ccoc1 ZINC000595087618 1040075712 /nfs/dbraw/zinc/07/57/12/1040075712.db2.gz NGSKVFBEZPKAQQ-NVXWUHKLSA-N 1 0 314.385 3.731 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ccc(O)cc31)CCC2 ZINC000595089274 1040076717 /nfs/dbraw/zinc/07/67/17/1040076717.db2.gz NBUPKCFQPFXZCD-RTBURBONSA-N 1 0 324.380 3.955 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000595296823 1040090896 /nfs/dbraw/zinc/09/08/96/1040090896.db2.gz LJJZLKMCIOVZNR-AWEZNQCLSA-N 1 0 300.333 3.723 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000595297401 1040096191 /nfs/dbraw/zinc/09/61/91/1040096191.db2.gz SQLBUFZIDSSHLO-CQSZACIVSA-N 1 0 307.394 3.826 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC=C(c2ccco2)C1 ZINC000595485068 1040142513 /nfs/dbraw/zinc/14/25/13/1040142513.db2.gz QSWHBJHDGRKIFS-UHFFFAOYSA-N 1 0 302.305 3.616 20 5 DHBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595638662 1040198753 /nfs/dbraw/zinc/19/87/53/1040198753.db2.gz KDFXVOGOTBGPCQ-LLVKDONJSA-N 1 0 318.377 3.559 20 5 DHBDRO Cc1noc(CN[C@H](c2ccccc2F)C(C)C)c1[N+](=O)[O-] ZINC000595689901 1040219583 /nfs/dbraw/zinc/21/95/83/1040219583.db2.gz FLOMYAVUSLXPBH-AWEZNQCLSA-N 1 0 307.325 3.517 20 5 DHBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000595706762 1040222341 /nfs/dbraw/zinc/22/23/41/1040222341.db2.gz KGZNZZUFQJNSCW-XHDPSFHLSA-N 1 0 323.352 3.554 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000595821443 1040248643 /nfs/dbraw/zinc/24/86/43/1040248643.db2.gz YXWZLWXPOGOMNI-DCBWTQNWSA-N 1 0 310.369 3.610 20 5 DHBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595866169 1040265193 /nfs/dbraw/zinc/26/51/93/1040265193.db2.gz FSGOKDFLPUZMTH-UONOGXRCSA-N 1 0 319.405 3.576 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831541 1040265933 /nfs/dbraw/zinc/26/59/33/1040265933.db2.gz JVCXIFXZPHJNPB-GDBMZVCRSA-N 1 0 312.369 3.809 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595907330 1040274562 /nfs/dbraw/zinc/27/45/62/1040274562.db2.gz AQVDJPFWLKTXNF-JCGIZDLHSA-N 1 0 316.401 3.548 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000595914190 1040278271 /nfs/dbraw/zinc/27/82/71/1040278271.db2.gz DKTCITVADFNHDT-LRDDRELGSA-N 1 0 314.389 3.626 20 5 DHBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ccccc1[N+](=O)[O-])CC2 ZINC000596254384 1040360096 /nfs/dbraw/zinc/36/00/96/1040360096.db2.gz CILXXHSVKAMFLU-UHFFFAOYSA-N 1 0 317.433 3.686 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000596649141 1040538329 /nfs/dbraw/zinc/53/83/29/1040538329.db2.gz BNWPRBBCMVUYDJ-ROUUACIJSA-N 1 0 311.385 3.905 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)CC2=CCSC2)cc1[N+](=O)[O-] ZINC000597246802 1040710811 /nfs/dbraw/zinc/71/08/11/1040710811.db2.gz ZHUZYPMGNFXGLN-UHFFFAOYSA-N 1 0 306.431 3.823 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CNc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000593321017 1040713721 /nfs/dbraw/zinc/71/37/21/1040713721.db2.gz WMDCDYZEEKWHIE-DZGCQCFKSA-N 1 0 311.385 3.591 20 5 DHBDRO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000534347032 1040815017 /nfs/dbraw/zinc/81/50/17/1040815017.db2.gz XPKASFHYGNTCIQ-CLFYSBASSA-N 1 0 311.385 3.914 20 5 DHBDRO CC(C)OCCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000228565493 1040934920 /nfs/dbraw/zinc/93/49/20/1040934920.db2.gz LCUKYJTUJJWJMY-UHFFFAOYSA-N 1 0 300.786 3.543 20 5 DHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC1(F)F ZINC000602639416 1041139760 /nfs/dbraw/zinc/13/97/60/1041139760.db2.gz IMVPLNKRTGXYEO-WRWORJQWSA-N 1 0 324.249 3.747 20 5 DHBDRO CS[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602679437 1041162156 /nfs/dbraw/zinc/16/21/56/1041162156.db2.gz KZBHAONRRHRRAW-NSHDSACASA-N 1 0 320.336 3.551 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761280110 1041280572 /nfs/dbraw/zinc/28/05/72/1041280572.db2.gz LTTZCOYXJQZQJK-TZMCWYRMSA-N 1 0 316.405 3.721 20 5 DHBDRO CCC1([NH+](C)C)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000602966436 1041332577 /nfs/dbraw/zinc/33/25/77/1041332577.db2.gz FMTGZSNESFFYHS-OAHLLOKOSA-N 1 0 319.449 3.770 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](c4ccccc4)C3)nc2c1 ZINC000083169747 185215487 /nfs/dbraw/zinc/21/54/87/185215487.db2.gz NEOQLJFXSOUUMG-AWEZNQCLSA-N 1 0 323.352 3.726 20 5 DHBDRO CC[C@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000072684873 191214864 /nfs/dbraw/zinc/21/48/64/191214864.db2.gz HCYKVGVQRBOXNQ-HNNXBMFYSA-N 1 0 305.403 3.509 20 5 DHBDRO CC[C@](C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000072865136 191244953 /nfs/dbraw/zinc/24/49/53/191244953.db2.gz GOXFICAFBCAHNO-INIZCTEOSA-N 1 0 319.430 3.817 20 5 DHBDRO CCC[C@H]([NH2+]Cc1cnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000040997570 183155395 /nfs/dbraw/zinc/15/53/95/183155395.db2.gz LKFDKIQAGBMBOR-HNNXBMFYSA-N 1 0 305.403 3.991 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000059387630 184138173 /nfs/dbraw/zinc/13/81/73/184138173.db2.gz ZACREXPTRGDYCM-MRXNPFEDSA-N 1 0 309.385 3.656 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000273433593 130121173 /nfs/dbraw/zinc/12/11/73/130121173.db2.gz LKLPGKFDOIDYAL-UHFFFAOYSA-N 1 0 306.406 3.683 20 5 DHBDRO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274614573 130248633 /nfs/dbraw/zinc/24/86/33/130248633.db2.gz UOYMFDWSDAGOBJ-SNVBAGLBSA-N 1 0 322.386 3.524 20 5 DHBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000280497707 130804593 /nfs/dbraw/zinc/80/45/93/130804593.db2.gz MRWAAGZRCPRZKP-YOEHRIQHSA-N 1 0 306.406 3.855 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000281904342 130891929 /nfs/dbraw/zinc/89/19/29/130891929.db2.gz BRULFUYGCYSZNY-BBRMVZONSA-N 1 0 304.390 3.595 20 5 DHBDRO C[C@@]12CCN(Cc3csc([N+](=O)[O-])c3)C[C@@H]1C2(Cl)Cl ZINC000284741586 131108461 /nfs/dbraw/zinc/10/84/61/131108461.db2.gz KXJHBLSPRUQENZ-GXSJLCMTSA-N 1 0 321.229 3.672 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286947223 131257616 /nfs/dbraw/zinc/25/76/16/131257616.db2.gz BJWNMBUTCCILEL-LXZKKBNFSA-N 1 0 306.406 3.698 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286947229 131257679 /nfs/dbraw/zinc/25/76/79/131257679.db2.gz BJWNMBUTCCILEL-UNEWFSDZSA-N 1 0 306.406 3.698 20 5 DHBDRO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000119865531 132138681 /nfs/dbraw/zinc/13/86/81/132138681.db2.gz LWEOSCICALCVQQ-ZDUSSCGKSA-N 1 0 305.422 3.508 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000317150129 331465671 /nfs/dbraw/zinc/46/56/71/331465671.db2.gz TYFGBNMLMWEFGQ-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccsc2)cc1[N+](=O)[O-] ZINC000179400133 331523197 /nfs/dbraw/zinc/52/31/97/331523197.db2.gz KEBPPMNNAFPSDP-LLVKDONJSA-N 1 0 306.387 3.906 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000077490305 331673685 /nfs/dbraw/zinc/67/36/85/331673685.db2.gz WCTNJLBEFFDYHK-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000078973093 331678677 /nfs/dbraw/zinc/67/86/77/331678677.db2.gz AYDKWMKJUNGILI-NWDGAFQWSA-N 1 0 314.341 3.735 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2F ZINC000584182485 331858735 /nfs/dbraw/zinc/85/87/35/331858735.db2.gz BTDSJQDBTBXOIB-SJORKVTESA-N 1 0 312.344 3.998 20 5 DHBDRO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449463615 332237537 /nfs/dbraw/zinc/23/75/37/332237537.db2.gz WPTHBRPZDZPNJA-ZYHUDNBSSA-N 1 0 302.296 3.758 20 5 DHBDRO Cc1cc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000559919336 332293138 /nfs/dbraw/zinc/29/31/38/332293138.db2.gz OFJLAUKLUUARQB-CYBMUJFWSA-N 1 0 303.362 3.565 20 5 DHBDRO CC[C@@H](C)[NH2+][C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000561358272 332441614 /nfs/dbraw/zinc/44/16/14/332441614.db2.gz YFKMBJYKACGQRK-IUODEOHRSA-N 1 0 303.362 3.729 20 5 DHBDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151798457 332619181 /nfs/dbraw/zinc/61/91/81/332619181.db2.gz UVYRLWXYRZQQBE-VXGBXAGGSA-N 1 0 320.414 3.745 20 5 DHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCC3(CC3)CC2)n1 ZINC000574897120 332665213 /nfs/dbraw/zinc/66/52/13/332665213.db2.gz MPZWTGPAMJVLJC-CABCVRRESA-N 1 0 318.421 3.587 20 5 DHBDRO Cc1c(C[NH2+]Cc2cnc(C(C)(C)C)s2)cccc1[N+](=O)[O-] ZINC000318306126 332667282 /nfs/dbraw/zinc/66/72/82/332667282.db2.gz PYOSOASBPDGQQG-UHFFFAOYSA-N 1 0 319.430 3.947 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000569940504 332695597 /nfs/dbraw/zinc/69/55/97/332695597.db2.gz BPXMWMIGYPDBGD-QDMKHBRRSA-N 1 0 315.398 3.606 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000305139612 333003681 /nfs/dbraw/zinc/00/36/81/333003681.db2.gz LWMGBAZORACYEJ-JQFCIGGWSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@H](NCC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000314266798 333096747 /nfs/dbraw/zinc/09/67/47/333096747.db2.gz ZMQTYVKDKCPBRN-INIZCTEOSA-N 1 0 307.438 3.613 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000178719407 333142884 /nfs/dbraw/zinc/14/28/84/333142884.db2.gz QTDLWKBVXLFSRB-PXAZEXFGSA-N 1 0 316.405 3.829 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000318628585 333196177 /nfs/dbraw/zinc/19/61/77/333196177.db2.gz UPMKXJQVQMCDSC-OWCLPIDISA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000531213769 333335322 /nfs/dbraw/zinc/33/53/22/333335322.db2.gz PUQLCGYUUGNVOZ-FHSNZYRGSA-N 1 0 312.369 3.638 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2SCCc3ccccc32)c1 ZINC000531389873 333348923 /nfs/dbraw/zinc/34/89/23/333348923.db2.gz PPZTZSHOYVCYKY-QGZVFWFLSA-N 1 0 314.410 3.715 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000488545067 333384054 /nfs/dbraw/zinc/38/40/54/333384054.db2.gz OIFFQDOTOSNDBV-UKRRQHHQSA-N 1 0 308.447 3.913 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000518796016 333393569 /nfs/dbraw/zinc/39/35/69/333393569.db2.gz NJGZKAVAGWZXHX-FTEYMNFISA-N 1 0 320.392 3.758 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000319717767 333399643 /nfs/dbraw/zinc/39/96/43/333399643.db2.gz ONZSTJSHSUDKHX-OAHLLOKOSA-N 1 0 304.390 3.566 20 5 DHBDRO COc1ccccc1C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000391116484 333420479 /nfs/dbraw/zinc/42/04/79/333420479.db2.gz XPEDYXUVBBUWOE-ZDUSSCGKSA-N 1 0 314.385 3.633 20 5 DHBDRO C[C@@H](CCc1cccc(F)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000531703972 333548135 /nfs/dbraw/zinc/54/81/35/333548135.db2.gz KJIBGILFEDUUHN-AWEZNQCLSA-N 1 0 316.376 3.887 20 5 DHBDRO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531736558 333551517 /nfs/dbraw/zinc/55/15/17/333551517.db2.gz XLZFZRDSFYOFQA-WMLDXEAASA-N 1 0 314.385 3.596 20 5 DHBDRO COc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563549156 333622561 /nfs/dbraw/zinc/62/25/61/333622561.db2.gz OZTGZQQFAXBXFB-DLBZAZTESA-N 1 0 324.380 3.868 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000161022915 333782082 /nfs/dbraw/zinc/78/20/82/333782082.db2.gz GNAFQHCXBGEJTQ-RDTXWAMCSA-N 1 0 314.385 3.678 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000414237801 333917930 /nfs/dbraw/zinc/91/79/30/333917930.db2.gz WWZLBPQUGFOBBA-XNJGSVPQSA-N 1 0 306.406 3.757 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414238223 333918002 /nfs/dbraw/zinc/91/80/02/333918002.db2.gz XHMZHNWZCZTXGQ-MDZLAQPJSA-N 1 0 310.419 3.538 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CS1 ZINC000414238740 333918211 /nfs/dbraw/zinc/91/82/11/333918211.db2.gz YAXJROVEXSMEHP-LUYZLQTOSA-N 1 0 320.458 3.790 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000414326587 333940449 /nfs/dbraw/zinc/94/04/49/333940449.db2.gz FBJCUQRTUWCRQU-CQSZACIVSA-N 1 0 313.401 3.927 20 5 DHBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])c2cnccc12 ZINC000266163104 333971229 /nfs/dbraw/zinc/97/12/29/333971229.db2.gz XADLZLWUNTYWDV-UHFFFAOYSA-N 1 0 305.403 3.577 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000430216821 333991961 /nfs/dbraw/zinc/99/19/61/333991961.db2.gz IFPJWAGULJXYGO-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414524811 334007605 /nfs/dbraw/zinc/00/76/05/334007605.db2.gz HOASKQJPRDMFML-JTQLQIEISA-N 1 0 320.311 3.672 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccnc1 ZINC000273600698 334048811 /nfs/dbraw/zinc/04/88/11/334048811.db2.gz RXKLFLLBTXCCGL-OAHLLOKOSA-N 1 0 315.373 3.629 20 5 DHBDRO CCC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cccnc1 ZINC000273600696 334048833 /nfs/dbraw/zinc/04/88/33/334048833.db2.gz RXKLFLLBTXCCGL-HNNXBMFYSA-N 1 0 315.373 3.629 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278983268 334104583 /nfs/dbraw/zinc/10/45/83/334104583.db2.gz DEPWSGPJMPYMLZ-BLLLJJGKSA-N 1 0 318.417 3.864 20 5 DHBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279321303 334107785 /nfs/dbraw/zinc/10/77/85/334107785.db2.gz SJFCKGJJEBRTRQ-XHDPSFHLSA-N 1 0 301.346 3.528 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000467435695 334158107 /nfs/dbraw/zinc/15/81/07/334158107.db2.gz ZEIQEBAGNLZMNX-HOCLYGCPSA-N 1 0 320.433 3.743 20 5 DHBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414920224 334180410 /nfs/dbraw/zinc/18/04/10/334180410.db2.gz XEXICLFIAWOLNV-WEBJUUICSA-N 1 0 323.396 3.857 20 5 DHBDRO Cc1cc(N)cc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000414966613 334214326 /nfs/dbraw/zinc/21/43/26/334214326.db2.gz OTDKCPJFHWUSAI-UHFFFAOYSA-N 1 0 313.401 3.899 20 5 DHBDRO Cc1ncsc1CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000295064378 334216647 /nfs/dbraw/zinc/21/66/47/334216647.db2.gz QNFTVQQEDJRFDE-LBPRGKRZSA-N 1 0 319.430 3.513 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000531944329 334300303 /nfs/dbraw/zinc/30/03/03/334300303.db2.gz FSDPLWSUBIYEJX-MRXNPFEDSA-N 1 0 319.449 3.676 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN(C)c1ccccc1 ZINC000303317511 334316425 /nfs/dbraw/zinc/31/64/25/334316425.db2.gz SNLJLTVFUZRKPU-HNNXBMFYSA-N 1 0 313.401 3.724 20 5 DHBDRO CC(C)[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC000534843408 334339456 /nfs/dbraw/zinc/33/94/56/334339456.db2.gz WSWNSFASRIVTPI-UHFFFAOYSA-N 1 0 315.373 3.870 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000531989702 334365225 /nfs/dbraw/zinc/36/52/25/334365225.db2.gz SSXYXFQAWRVDNP-HNNXBMFYSA-N 1 0 319.449 3.674 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000532016042 334372336 /nfs/dbraw/zinc/37/23/36/334372336.db2.gz ZTVLJCZQEKUWIE-OAHLLOKOSA-N 1 0 318.417 3.910 20 5 DHBDRO COC1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417377131 334765532 /nfs/dbraw/zinc/76/55/32/334765532.db2.gz RUGSGDRNXIHGKW-JFUPDXTOSA-N 1 0 318.417 3.910 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1COc3ccccc31)CCC2 ZINC000343994526 335206208 /nfs/dbraw/zinc/20/62/08/335206208.db2.gz SRBXSKRPGXEGNA-KSSFIOAISA-N 1 0 324.380 3.738 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000344065281 335214558 /nfs/dbraw/zinc/21/45/58/335214558.db2.gz ODTVQZTXDWWHJS-MRXNPFEDSA-N 1 0 312.369 3.641 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344105774 335223735 /nfs/dbraw/zinc/22/37/35/335223735.db2.gz PZFDRTXTYPTIET-KRWDZBQOSA-N 1 0 314.360 3.944 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000344111007 335224293 /nfs/dbraw/zinc/22/42/93/335224293.db2.gz TXXOALZGRSINJF-GVDBMIGSSA-N 1 0 318.417 3.983 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2SCCc3ccccc32)cs1 ZINC000344757186 335273768 /nfs/dbraw/zinc/27/37/68/335273768.db2.gz KGGOJASQMXOGDZ-CQSZACIVSA-N 1 0 320.439 3.777 20 5 DHBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000344704564 335274031 /nfs/dbraw/zinc/27/40/31/335274031.db2.gz VIVMDGASRCKDOI-OHUAYANFSA-N 1 0 318.398 3.699 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCCCO1 ZINC000344787022 335277413 /nfs/dbraw/zinc/27/74/13/335277413.db2.gz CJFZAVCHEZRIAU-IFCKCIONSA-N 1 0 304.390 3.547 20 5 DHBDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000345690027 335342108 /nfs/dbraw/zinc/34/21/08/335342108.db2.gz GJGJPJMWSYFEQB-ZUZCIYMTSA-N 1 0 324.377 3.661 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000345715950 335345214 /nfs/dbraw/zinc/34/52/14/335345214.db2.gz WOVLKQZUDOCVTH-QGZVFWFLSA-N 1 0 320.433 3.605 20 5 DHBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688878 338482904 /nfs/dbraw/zinc/48/29/04/338482904.db2.gz LGGLHFLHMDYNOO-DGCLKSJQSA-N 1 0 316.405 3.776 20 5 DHBDRO COc1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000468639048 335455544 /nfs/dbraw/zinc/45/55/44/335455544.db2.gz RDPJUEXNZDBNJF-UVTDQMKNSA-N 1 0 312.369 3.797 20 5 DHBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000583640974 336012691 /nfs/dbraw/zinc/01/26/91/336012691.db2.gz ADJLJBSRMMIHQE-HNNXBMFYSA-N 1 0 311.385 3.545 20 5 DHBDRO COCC[C@@H]1CCCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000332338738 336169163 /nfs/dbraw/zinc/16/91/63/336169163.db2.gz QMVVWIOVHSQNFN-CABCVRRESA-N 1 0 306.406 3.794 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000352533929 336223028 /nfs/dbraw/zinc/22/30/28/336223028.db2.gz BEQLEUHSDJSFPJ-LBPRGKRZSA-N 1 0 316.357 3.502 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352609494 336226822 /nfs/dbraw/zinc/22/68/22/336226822.db2.gz UGVJMSDOWOHXDO-JSGCOSHPSA-N 1 0 312.410 3.840 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352609496 336226865 /nfs/dbraw/zinc/22/68/65/336226865.db2.gz UGVJMSDOWOHXDO-TZMCWYRMSA-N 1 0 312.410 3.840 20 5 DHBDRO CC(C)(C)OC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000352670232 336229676 /nfs/dbraw/zinc/22/96/76/336229676.db2.gz FFRQHEXXWKNPQU-VURMDHGXSA-N 1 0 318.417 3.888 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC000532492295 336250554 /nfs/dbraw/zinc/25/05/54/336250554.db2.gz LSMXOJFWMVQYSV-HZPDHXFCSA-N 1 0 319.449 3.674 20 5 DHBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192904258 336283278 /nfs/dbraw/zinc/28/32/78/336283278.db2.gz MUWRYRZCMNMSQM-BLLLJJGKSA-N 1 0 306.406 3.765 20 5 DHBDRO COCC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102426375 336287211 /nfs/dbraw/zinc/28/72/11/336287211.db2.gz YEPOASGAGQHYSF-LBPRGKRZSA-N 1 0 320.414 3.838 20 5 DHBDRO C[C@@H]1CCC[N@H+](CCCCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301117788 336290920 /nfs/dbraw/zinc/29/09/20/336290920.db2.gz WEOCOFIYQAOHLY-CYBMUJFWSA-N 1 0 309.385 3.658 20 5 DHBDRO CCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000301430230 336306252 /nfs/dbraw/zinc/30/62/52/336306252.db2.gz GAUFVCFSYUEHIH-UHFFFAOYSA-N 1 0 311.813 3.843 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000301518705 336312069 /nfs/dbraw/zinc/31/20/69/336312069.db2.gz DOHWKUBEJJVDFT-UHFFFAOYSA-N 1 0 303.406 3.804 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000301547162 336313962 /nfs/dbraw/zinc/31/39/62/336313962.db2.gz PMIOADPAVHQVBU-MRXNPFEDSA-N 1 0 317.433 3.687 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000301551910 336314272 /nfs/dbraw/zinc/31/42/72/336314272.db2.gz HCXAMOMUKWZNDB-CQSZACIVSA-N 1 0 305.403 3.680 20 5 DHBDRO Cc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000301983575 336341287 /nfs/dbraw/zinc/34/12/87/336341287.db2.gz KDNBKUAASWABFD-ZDUSSCGKSA-N 1 0 323.824 3.621 20 5 DHBDRO Cc1ccc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000302035171 336344569 /nfs/dbraw/zinc/34/45/69/336344569.db2.gz FFXSQYVNENUEST-HUUCEWRRSA-N 1 0 317.433 3.968 20 5 DHBDRO C[C@@H](CCNc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000302087205 336347857 /nfs/dbraw/zinc/34/78/57/336347857.db2.gz ADQODYRZCUJQEW-NSHDSACASA-N 1 0 313.348 3.549 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccsc1)[NH+](C)C ZINC000353442415 336418113 /nfs/dbraw/zinc/41/81/13/336418113.db2.gz VOVVTGFQTOSWAM-HNNXBMFYSA-N 1 0 305.403 3.680 20 5 DHBDRO CCC[C@H]([NH2+]CC1(CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358296862 336622287 /nfs/dbraw/zinc/62/22/87/336622287.db2.gz KFDVRCMLZNSBRO-INIZCTEOSA-N 1 0 306.406 3.578 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000358317916 336623776 /nfs/dbraw/zinc/62/37/76/336623776.db2.gz BAAMTDJLROVOGJ-MRXNPFEDSA-N 1 0 312.369 3.907 20 5 DHBDRO CC[C@H]([NH2+]CC1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000361922492 336778177 /nfs/dbraw/zinc/77/81/77/336778177.db2.gz AHKNYNINLSATEJ-IMRCBTMISA-N 1 0 306.406 3.841 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000362192580 336787695 /nfs/dbraw/zinc/78/76/95/336787695.db2.gz VJHLKHYCTCCRDU-HNNXBMFYSA-N 1 0 318.348 3.983 20 5 DHBDRO Cc1cccnc1C1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000367902826 336831979 /nfs/dbraw/zinc/83/19/79/336831979.db2.gz WYXKXFNOYCBFRP-CQSZACIVSA-N 1 0 311.385 3.681 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000369882197 336873533 /nfs/dbraw/zinc/87/35/33/336873533.db2.gz JKCXDEUZBCIXJZ-SCLBCKFNSA-N 1 0 312.369 3.559 20 5 DHBDRO CC(C)(COCc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000389993260 336932829 /nfs/dbraw/zinc/93/28/29/336932829.db2.gz NAIRNRWLHBFNBU-UHFFFAOYSA-N 1 0 320.414 3.741 20 5 DHBDRO Cc1n[nH]cc1C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000375336861 337008315 /nfs/dbraw/zinc/00/83/15/337008315.db2.gz PQGJVKLLIYIDPZ-ZDUSSCGKSA-N 1 0 314.389 3.567 20 5 DHBDRO Cc1c([C@H](C)NC2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000376593960 337037575 /nfs/dbraw/zinc/03/75/75/337037575.db2.gz BTLQOEZMNCTJBX-FHERZECASA-N 1 0 317.433 3.571 20 5 DHBDRO CSC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000193653694 337078924 /nfs/dbraw/zinc/07/89/24/337078924.db2.gz VMGDNJPEGUTKRV-UHFFFAOYSA-N 1 0 318.398 3.840 20 5 DHBDRO CSC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000193809662 337080247 /nfs/dbraw/zinc/08/02/47/337080247.db2.gz GIMYCQYLLQSFCC-ZDUSSCGKSA-N 1 0 308.447 3.791 20 5 DHBDRO C[C@@H]1CC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000582762768 337138303 /nfs/dbraw/zinc/13/83/03/337138303.db2.gz MXGKBGQEWGKBHK-PSTGCABASA-N 1 0 318.417 3.863 20 5 DHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@H]3C=CCCC3)CC2)cc1 ZINC000174242645 337140043 /nfs/dbraw/zinc/14/00/43/337140043.db2.gz JPFIWYACGNUMAA-AWEZNQCLSA-N 1 0 302.374 3.547 20 5 DHBDRO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178641156 337165740 /nfs/dbraw/zinc/16/57/40/337165740.db2.gz WJMRARNADQUZTO-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186432195 337256018 /nfs/dbraw/zinc/25/60/18/337256018.db2.gz ICYRHZYMNXKEEZ-LJQANCHMSA-N 1 0 324.380 3.535 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([C@H]2CCCO2)CC1 ZINC000189239935 337277465 /nfs/dbraw/zinc/27/74/65/337277465.db2.gz FUQLNIMPJSXRPP-MRXNPFEDSA-N 1 0 324.808 3.639 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000514679917 337389406 /nfs/dbraw/zinc/38/94/06/337389406.db2.gz RCYRJBPBKRQNRD-FUHWJXTLSA-N 1 0 309.369 3.718 20 5 DHBDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000237717358 337469277 /nfs/dbraw/zinc/46/92/77/337469277.db2.gz LLLHTEWYHBDDSI-UHFFFAOYSA-N 1 0 315.398 3.778 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000527111828 337631917 /nfs/dbraw/zinc/63/19/17/337631917.db2.gz BQFWIQQVWSJRPF-UHFFFAOYSA-N 1 0 324.739 3.556 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000536831626 337734492 /nfs/dbraw/zinc/73/44/92/337734492.db2.gz HCKURBAIMGDPNG-LJQANCHMSA-N 1 0 310.397 3.748 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC34CC4)o2)c([N+](=O)[O-])c1 ZINC000424184569 337801242 /nfs/dbraw/zinc/80/12/42/337801242.db2.gz MWPVPWFMXJULCZ-MRXNPFEDSA-N 1 0 314.341 3.506 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000058092719 337869639 /nfs/dbraw/zinc/86/96/39/337869639.db2.gz NLGQPEHVPCDFIV-UHFFFAOYSA-N 1 0 322.311 3.529 20 5 DHBDRO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000089513214 337870521 /nfs/dbraw/zinc/87/05/21/337870521.db2.gz JWBYITYVWRBXRY-SNVBAGLBSA-N 1 0 305.403 3.773 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC12CCSCC2 ZINC000516088220 338004279 /nfs/dbraw/zinc/00/42/79/338004279.db2.gz KBPYUFIKRJKQKI-SWLSCSKDSA-N 1 0 318.442 3.705 20 5 DHBDRO C[C@@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000516313844 338009618 /nfs/dbraw/zinc/00/96/18/338009618.db2.gz XQVLQALWYRJSMG-SJLPKXTDSA-N 1 0 318.417 3.503 20 5 DHBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000428454003 338052509 /nfs/dbraw/zinc/05/25/09/338052509.db2.gz QONWOZQQJYNCBQ-CSKARUKUSA-N 1 0 318.417 3.625 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CC12CCCC2)C1CC1 ZINC000429422585 338080470 /nfs/dbraw/zinc/08/04/70/338080470.db2.gz HNDGNOZBWZQNHR-WBVHZDCISA-N 1 0 300.402 3.838 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1ccccc1 ZINC000430193025 338100574 /nfs/dbraw/zinc/10/05/74/338100574.db2.gz CGXRCBYESRUNBZ-CYBMUJFWSA-N 1 0 300.358 3.796 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000430200524 338101111 /nfs/dbraw/zinc/10/11/11/338101111.db2.gz ADRNUBBVUWGVQK-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000430208287 338101437 /nfs/dbraw/zinc/10/14/37/338101437.db2.gz UFFLGCIGTOGIGJ-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1NCC1CC[NH+](C2CC2)CC1 ZINC000432178742 338148052 /nfs/dbraw/zinc/14/80/52/338148052.db2.gz USNPTOCNCFSVDE-UHFFFAOYSA-N 1 0 309.797 3.535 20 5 DHBDRO CCC(CC)[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433115107 338182247 /nfs/dbraw/zinc/18/22/47/338182247.db2.gz HRDCGROEKXPNDV-IAGOWNOFSA-N 1 0 320.433 3.704 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000433215739 338186206 /nfs/dbraw/zinc/18/62/06/338186206.db2.gz RBXSMABSQUOCKV-ZLIFDBKOSA-N 1 0 318.417 3.864 20 5 DHBDRO CC1CCC(O)(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000438616957 338350098 /nfs/dbraw/zinc/35/00/98/338350098.db2.gz DTSQPSSONMRTLR-UHFFFAOYSA-N 1 0 318.417 3.500 20 5 DHBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000442811709 338433165 /nfs/dbraw/zinc/43/31/65/338433165.db2.gz PTRJZYDMYMPQKW-BBWFWOEESA-N 1 0 318.417 3.864 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCC[C@@H](C4CC4)C3)nc2c1 ZINC000446835776 338537636 /nfs/dbraw/zinc/53/76/36/338537636.db2.gz QHNWJJZHWYFZQV-CHWSQXEVSA-N 1 0 314.389 3.530 20 5 DHBDRO CCCCOCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447518173 338553638 /nfs/dbraw/zinc/55/36/38/338553638.db2.gz VJWNKYXKEBBLJL-KRWDZBQOSA-N 1 0 306.406 3.769 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccccc1F)CCC2 ZINC000447519383 338553657 /nfs/dbraw/zinc/55/36/57/338553657.db2.gz QKIOWXPVNUCHLZ-GOSISDBHSA-N 1 0 314.360 3.944 20 5 DHBDRO COC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449136901 338596246 /nfs/dbraw/zinc/59/62/46/338596246.db2.gz CUUJDMCPJDQHAD-PBHICJAKSA-N 1 0 314.385 3.503 20 5 DHBDRO CCc1nc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449152744 338597355 /nfs/dbraw/zinc/59/73/55/338597355.db2.gz AXUUFZFNQWMEOA-NWDGAFQWSA-N 1 0 319.430 3.896 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCC1CCOCC1 ZINC000449354344 338617129 /nfs/dbraw/zinc/61/71/29/338617129.db2.gz MPBDOOCSEVOAJS-OAHLLOKOSA-N 1 0 320.433 3.712 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449476051 338628662 /nfs/dbraw/zinc/62/86/62/338628662.db2.gz MFRCSPSUSLGLCN-YFCVBGDOSA-N 1 0 316.401 3.547 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000453246154 338813633 /nfs/dbraw/zinc/81/36/33/338813633.db2.gz MJKBGZGAYHHKMJ-KWCYVHTRSA-N 1 0 312.360 3.939 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000453390448 338836810 /nfs/dbraw/zinc/83/68/10/338836810.db2.gz XPYMFDVSPVDHKH-GUYCJALGSA-N 1 0 318.417 3.724 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453586686 338849400 /nfs/dbraw/zinc/84/94/00/338849400.db2.gz VEPSPXYILRWGNH-SCZPIIQISA-N 1 0 318.417 3.793 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(C4CC4)cc3)nc2c1 ZINC000459503566 339032927 /nfs/dbraw/zinc/03/29/27/339032927.db2.gz HRNYUMPJWLPYJV-UHFFFAOYSA-N 1 0 322.368 3.638 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000459652338 339040603 /nfs/dbraw/zinc/04/06/03/339040603.db2.gz QHWHMWNPJNFZEK-HNNXBMFYSA-N 1 0 313.401 3.799 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])nc1C ZINC000459683365 339042976 /nfs/dbraw/zinc/04/29/76/339042976.db2.gz ZWLZWKNLQCWYPL-AWEZNQCLSA-N 1 0 313.401 3.718 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(C(F)F)CC1 ZINC000459704798 339043671 /nfs/dbraw/zinc/04/36/71/339043671.db2.gz GINOTAQDANUZPN-LKSINWNRSA-N 1 0 312.360 3.939 20 5 DHBDRO C[C@H](C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459785316 339048510 /nfs/dbraw/zinc/04/85/10/339048510.db2.gz ARKWXSHHWSNXTI-CHWSQXEVSA-N 1 0 322.405 3.565 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459813084 339049520 /nfs/dbraw/zinc/04/95/20/339049520.db2.gz WFVPJASTTIPGTG-QANKJYHBSA-N 1 0 318.417 3.529 20 5 DHBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000461787358 339067080 /nfs/dbraw/zinc/06/70/80/339067080.db2.gz UGTNRGVGIHQSLK-CYBMUJFWSA-N 1 0 309.385 3.575 20 5 DHBDRO CCC[NH+]1CCC(CNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461780586 339067117 /nfs/dbraw/zinc/06/71/17/339067117.db2.gz YYMVBKDKURMMQP-UHFFFAOYSA-N 1 0 309.385 3.576 20 5 DHBDRO COc1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000462789915 339088730 /nfs/dbraw/zinc/08/87/30/339088730.db2.gz LKANHNHQQHJMIT-AWEZNQCLSA-N 1 0 321.421 3.670 20 5 DHBDRO CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](C)OC ZINC000462830062 339093013 /nfs/dbraw/zinc/09/30/13/339093013.db2.gz SRHWANWPCDYYKK-ZDUSSCGKSA-N 1 0 318.373 3.712 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cccc2cc[nH]c21 ZINC000466918222 339221431 /nfs/dbraw/zinc/22/14/31/339221431.db2.gz XCKLTTRRFNCZSV-YWEYNIOJSA-N 1 0 307.353 3.879 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000467994949 339250613 /nfs/dbraw/zinc/25/06/13/339250613.db2.gz QKOMCOWNVCRLRF-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000468002346 339250805 /nfs/dbraw/zinc/25/08/05/339250805.db2.gz DTAKVAGBZOYQLH-JTQLQIEISA-N 1 0 324.302 3.905 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000468027504 339251477 /nfs/dbraw/zinc/25/14/77/339251477.db2.gz SPTGRKLPVXPTIQ-UWVGGRQHSA-N 1 0 320.311 3.985 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000468586897 339266838 /nfs/dbraw/zinc/26/68/38/339266838.db2.gz NWFXJOSLPYMUMM-UZGISAJGSA-N 1 0 304.390 3.545 20 5 DHBDRO COC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000468597434 339266966 /nfs/dbraw/zinc/26/69/66/339266966.db2.gz OVTQLGRVJVXFIA-PTNGSMBKSA-N 1 0 318.417 3.937 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCS1 ZINC000468612896 339267039 /nfs/dbraw/zinc/26/70/39/339267039.db2.gz SLXZKIUHYYUZQC-OVHOFWQVSA-N 1 0 306.431 3.873 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000468622618 339267235 /nfs/dbraw/zinc/26/72/35/339267235.db2.gz UVMDZBJZBRQRMB-KQHUNKBVSA-N 1 0 316.401 3.545 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CCCCCC1 ZINC000468624879 339267257 /nfs/dbraw/zinc/26/72/57/339267257.db2.gz GVJSLQHYGBTFPK-PTNGSMBKSA-N 1 0 318.417 3.673 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCCC(C)C ZINC000468644006 339267897 /nfs/dbraw/zinc/26/78/97/339267897.db2.gz WQHUYKNJKIUMDN-PTNGSMBKSA-N 1 0 306.406 3.650 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccccc1F ZINC000468648568 339268067 /nfs/dbraw/zinc/26/80/67/339268067.db2.gz LLOKKTNTUWROPM-SDNWHVSQSA-N 1 0 314.360 3.970 20 5 DHBDRO COC[C@H]1CCCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000468693238 339268656 /nfs/dbraw/zinc/26/86/56/339268656.db2.gz IJQTULTVCIFYEI-INIZCTEOSA-N 1 0 320.433 3.967 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469467989 339290638 /nfs/dbraw/zinc/29/06/38/339290638.db2.gz DGRUDQHGXKLOMR-ZDUSSCGKSA-N 1 0 318.323 3.863 20 5 DHBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CC)c1ccccc1 ZINC000472455291 339372252 /nfs/dbraw/zinc/37/22/52/339372252.db2.gz SYVDBKBXRVWSNF-KRWDZBQOSA-N 1 0 316.405 3.655 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC=C(F)C3)o2)c1 ZINC000473128696 339381227 /nfs/dbraw/zinc/38/12/27/339381227.db2.gz UEKXSKWTPJFXEE-UHFFFAOYSA-N 1 0 302.305 3.914 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCc1ccccc1F ZINC000475558980 339455073 /nfs/dbraw/zinc/45/50/73/339455073.db2.gz MMEJGTLHRJRYRU-UXBLZVDNSA-N 1 0 314.360 3.970 20 5 DHBDRO Cc1c([C@H](C)NCC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000477907464 339504146 /nfs/dbraw/zinc/50/41/46/339504146.db2.gz BAGAMBVEMTUAOX-HNNXBMFYSA-N 1 0 319.449 3.676 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(F)cc1)C1CC1 ZINC000479847038 339550166 /nfs/dbraw/zinc/55/01/66/339550166.db2.gz AKKOOQJQKAKVGS-QGZVFWFLSA-N 1 0 314.360 3.845 20 5 DHBDRO COCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000479880780 339552564 /nfs/dbraw/zinc/55/25/64/339552564.db2.gz ACLPJJHYIZOFSC-UHFFFAOYSA-N 1 0 324.396 3.811 20 5 DHBDRO Cc1c(C[NH2+]Cc2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000480444953 339573173 /nfs/dbraw/zinc/57/31/73/339573173.db2.gz MTRUZFKAPFHXRM-UHFFFAOYSA-N 1 0 322.311 3.794 20 5 DHBDRO COc1ccccc1/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000480449459 339573384 /nfs/dbraw/zinc/57/33/84/339573384.db2.gz YXZOHUSZYHVALT-TWGQIWQCSA-N 1 0 312.369 3.715 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000481262385 339599270 /nfs/dbraw/zinc/59/92/70/339599270.db2.gz QGXZQXSEOPMRHS-RHSMWYFYSA-N 1 0 300.402 3.862 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482249975 339627651 /nfs/dbraw/zinc/62/76/51/339627651.db2.gz PXCQMAVYCSWZMF-QZTJIDSGSA-N 1 0 320.433 3.967 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000483739382 339673485 /nfs/dbraw/zinc/67/34/85/339673485.db2.gz BPLUKZINUUTXMR-YESZJQIVSA-N 1 0 306.406 3.983 20 5 DHBDRO Cc1cc(NC[C@@H](C)C[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000489015972 339799931 /nfs/dbraw/zinc/79/99/31/339799931.db2.gz QNYYDWSDONCIAF-SECBINFHSA-N 1 0 319.327 3.532 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c(F)c1 ZINC000500449827 340059044 /nfs/dbraw/zinc/05/90/44/340059044.db2.gz BZSXJSHZWOFQLN-SNVBAGLBSA-N 1 0 302.296 3.649 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000500568568 340062588 /nfs/dbraw/zinc/06/25/88/340062588.db2.gz OUKVLRYAOSGDCK-TZMCWYRMSA-N 1 0 314.332 3.543 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000502484351 340105694 /nfs/dbraw/zinc/10/56/94/340105694.db2.gz XXZOVWUAMKGZCL-LERXQTSPSA-N 1 0 314.332 3.796 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000503926713 340137094 /nfs/dbraw/zinc/13/70/94/340137094.db2.gz GZACOGIDNUGUNR-HIFRSBDPSA-N 1 0 306.406 3.623 20 5 DHBDRO CCCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505876666 340180419 /nfs/dbraw/zinc/18/04/19/340180419.db2.gz KSWHGXSVIBSERH-UHFFFAOYSA-N 1 0 302.321 3.818 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc3c(c2)CCO3)C2CC2)cc1 ZINC000507167818 340210667 /nfs/dbraw/zinc/21/06/67/340210667.db2.gz OBVKOSMPJPIMAL-UHFFFAOYSA-N 1 0 324.380 3.694 20 5 DHBDRO CC(C)[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507209315 340213714 /nfs/dbraw/zinc/21/37/14/340213714.db2.gz IPSIWIKIRHCHPF-JTQLQIEISA-N 1 0 302.321 3.673 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000509515915 340272002 /nfs/dbraw/zinc/27/20/02/340272002.db2.gz LZLFLIIHQUBPQH-UKRRQHHQSA-N 1 0 312.369 3.639 20 5 DHBDRO COCC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000509949924 340283616 /nfs/dbraw/zinc/28/36/16/340283616.db2.gz UKSNDMVFNNKAGB-GQSKFBFOSA-N 1 0 306.406 3.649 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccncc1F ZINC000510994217 340317466 /nfs/dbraw/zinc/31/74/66/340317466.db2.gz ALVMUYCVCIOKFF-STQMWFEESA-N 1 0 317.364 3.801 20 5 DHBDRO C[N@H+](CCCCC1CCOCC1)CCc1ccccc1[N+](=O)[O-] ZINC000511120534 340321439 /nfs/dbraw/zinc/32/14/39/340321439.db2.gz BTQWBHBCVVHREZ-UHFFFAOYSA-N 1 0 320.433 3.666 20 5 DHBDRO CCOc1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511136428 340321999 /nfs/dbraw/zinc/32/19/99/340321999.db2.gz AEBDKILFAZNKMC-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO C[N@H+](CCCCOC(C)(C)C)CCc1ccccc1[N+](=O)[O-] ZINC000511137766 340322108 /nfs/dbraw/zinc/32/21/08/340322108.db2.gz CVHJBWGJMYRLOI-UHFFFAOYSA-N 1 0 308.422 3.664 20 5 DHBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000511724286 340336277 /nfs/dbraw/zinc/33/62/77/340336277.db2.gz VDOYGVMHOUQJNL-JHJVBQTASA-N 1 0 309.385 3.512 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000512188534 340351548 /nfs/dbraw/zinc/35/15/48/340351548.db2.gz ZSMDVZPOEOLQBD-ZOBUZTSGSA-N 1 0 317.433 3.523 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000173450457 340365268 /nfs/dbraw/zinc/36/52/68/340365268.db2.gz HSSPVAWEROAGMM-OLZOCXBDSA-N 1 0 318.348 3.852 20 5 DHBDRO CCC[C@@]1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000512880390 340382209 /nfs/dbraw/zinc/38/22/09/340382209.db2.gz TVXJWTHFLHANTE-QGZVFWFLSA-N 1 0 306.406 3.767 20 5 DHBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513045953 340390544 /nfs/dbraw/zinc/39/05/44/340390544.db2.gz IFVNCBKBDKHHJZ-YGRLFVJLSA-N 1 0 303.387 3.606 20 5 DHBDRO C[C@H]([NH2+]CCc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178647317 340451185 /nfs/dbraw/zinc/45/11/85/340451185.db2.gz WLRBBVLXLYLRPQ-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CCO)C1CCCCC1 ZINC000517040207 340462322 /nfs/dbraw/zinc/46/23/22/340462322.db2.gz QEEOXNCEJZUCJI-IAGOWNOFSA-N 1 0 318.417 3.503 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000517616994 340473626 /nfs/dbraw/zinc/47/36/26/340473626.db2.gz QUZCSIOKZCZBBI-UGSOOPFHSA-N 1 0 312.369 3.812 20 5 DHBDRO COCc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000124418108 340798978 /nfs/dbraw/zinc/79/89/78/340798978.db2.gz SGRMWGJODFYJQA-AWEZNQCLSA-N 1 0 314.385 3.900 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(O)c1 ZINC000126659096 340830081 /nfs/dbraw/zinc/83/00/81/340830081.db2.gz FASMNFPVUPLVAY-KGLIPLIRSA-N 1 0 314.385 3.972 20 5 DHBDRO CCOc1ccccc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000539077933 340871108 /nfs/dbraw/zinc/87/11/08/340871108.db2.gz OTICUIMDDKXRGC-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000542519279 341011757 /nfs/dbraw/zinc/01/17/57/341011757.db2.gz ZORHNPPREFCYHI-INIZCTEOSA-N 1 0 318.398 3.906 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000542705585 341018375 /nfs/dbraw/zinc/01/83/75/341018375.db2.gz YQOIKBABKOMGEJ-UHFFFAOYSA-N 1 0 300.333 3.821 20 5 DHBDRO C[C@@H]1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000543094208 341031814 /nfs/dbraw/zinc/03/18/14/341031814.db2.gz AFBIMDXGTUBIJN-GDIGMMSISA-N 1 0 310.397 3.919 20 5 DHBDRO Cc1cccc([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000543246295 341037865 /nfs/dbraw/zinc/03/78/65/341037865.db2.gz AHSLPFMDHJNQGH-GOSISDBHSA-N 1 0 310.397 3.935 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000544180290 341073137 /nfs/dbraw/zinc/07/31/37/341073137.db2.gz FGCDVKUSJCAKQG-QZTJIDSGSA-N 1 0 318.417 3.765 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000131462595 341090348 /nfs/dbraw/zinc/09/03/48/341090348.db2.gz ZOWCLHXTIXAXCZ-RDTXWAMCSA-N 1 0 314.385 3.942 20 5 DHBDRO CCC(CC)(C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000545456251 341125675 /nfs/dbraw/zinc/12/56/75/341125675.db2.gz COPMVWAYICPEPX-ZDUSSCGKSA-N 1 0 322.405 3.533 20 5 DHBDRO CSCCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000133593143 341179405 /nfs/dbraw/zinc/17/94/05/341179405.db2.gz WRSQMEVHYOFRSN-HNNXBMFYSA-N 1 0 308.447 3.649 20 5 DHBDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000075897094 341188423 /nfs/dbraw/zinc/18/84/23/341188423.db2.gz XXMXJFQNMCQKDC-CQSZACIVSA-N 1 0 314.385 3.666 20 5 DHBDRO Cc1cccc(NCc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000549177976 341288148 /nfs/dbraw/zinc/28/81/48/341288148.db2.gz SWSMYWRFRHFSAJ-UHFFFAOYSA-N 1 0 313.401 3.619 20 5 DHBDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000549265849 341290002 /nfs/dbraw/zinc/29/00/02/341290002.db2.gz UGOUEULJLDONHR-HNNXBMFYSA-N 1 0 318.398 3.838 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000550010599 341308718 /nfs/dbraw/zinc/30/87/18/341308718.db2.gz IKLYVSMQIQCGSL-LBPRGKRZSA-N 1 0 320.776 3.978 20 5 DHBDRO CCc1noc(C)c1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000550239885 341313370 /nfs/dbraw/zinc/31/33/70/341313370.db2.gz ZTCPKYXCWYOIHZ-WQLSENKSSA-N 1 0 315.373 3.647 20 5 DHBDRO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H](C)CO ZINC000552381580 341390181 /nfs/dbraw/zinc/39/01/81/341390181.db2.gz VGGAWDAHNFPJLH-LBPRGKRZSA-N 1 0 320.414 3.526 20 5 DHBDRO C[C@H](Cc1cccc(O)c1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000553421951 341428487 /nfs/dbraw/zinc/42/84/87/341428487.db2.gz MYTMUJPLRPJMPY-LHRNQBEKSA-N 1 0 312.369 3.534 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000554933798 341469633 /nfs/dbraw/zinc/46/96/33/341469633.db2.gz PDYLQDGTGREPJQ-KBPBESRZSA-N 1 0 306.406 3.587 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1CCC(F)(F)CC1 ZINC000565214350 341520235 /nfs/dbraw/zinc/52/02/35/341520235.db2.gz FPRYFCFOCAILDW-AWEZNQCLSA-N 1 0 310.344 3.997 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cc(F)cc(F)c1 ZINC000565213339 341520253 /nfs/dbraw/zinc/52/02/53/341520253.db2.gz AHAMHXHEHHSZEU-OAHLLOKOSA-N 1 0 304.296 3.650 20 5 DHBDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000575762316 341803142 /nfs/dbraw/zinc/80/31/42/341803142.db2.gz PRIAVSKJQBVZBN-QBIMZIAESA-N 1 0 318.417 3.623 20 5 DHBDRO Cc1c(C[NH2+]Cc2cccc3cccnc32)cccc1[N+](=O)[O-] ZINC000336867625 341809144 /nfs/dbraw/zinc/80/91/44/341809144.db2.gz NVWBMVXSKSINPQ-UHFFFAOYSA-N 1 0 307.353 3.741 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCCC1(F)F ZINC000577077560 341884006 /nfs/dbraw/zinc/88/40/06/341884006.db2.gz QMDGUIXTWAVRLU-RISCZKNCSA-N 1 0 310.344 3.997 20 5 DHBDRO CCOC[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182789452 520170723 /nfs/dbraw/zinc/17/07/23/520170723.db2.gz SHLXBTAPFVQNBG-GJZGRUSLSA-N 1 0 306.406 3.713 20 5 DHBDRO CCC[C@H]([NH2+]Cc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000154426269 521163552 /nfs/dbraw/zinc/16/35/52/521163552.db2.gz TUHVKMFVPLLPFR-KRWDZBQOSA-N 1 0 300.358 3.931 20 5 DHBDRO CCOC1CC(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000189250556 521646931 /nfs/dbraw/zinc/64/69/31/521646931.db2.gz YHGKMAIDADSMJD-VQCLRJIVSA-N 1 0 306.406 3.759 20 5 DHBDRO CCSc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000189582054 521733939 /nfs/dbraw/zinc/73/39/39/521733939.db2.gz HNQWRYDTDSIEJF-UHFFFAOYSA-N 1 0 317.414 3.700 20 5 DHBDRO CCc1nc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000157086371 522283435 /nfs/dbraw/zinc/28/34/35/522283435.db2.gz ZWAHALDYGSXEPM-LBPRGKRZSA-N 1 0 319.430 3.815 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157700346 522759259 /nfs/dbraw/zinc/75/92/59/522759259.db2.gz HQLLBSPYUQFWRN-XIRDDKMYSA-N 1 0 304.390 3.593 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000264335506 522877057 /nfs/dbraw/zinc/87/70/57/522877057.db2.gz LYZKYRNZDIZNDA-OAHLLOKOSA-N 1 0 318.348 3.983 20 5 DHBDRO COCc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000158534207 523055837 /nfs/dbraw/zinc/05/58/37/523055837.db2.gz BOYGHBXTWCCWOI-AWEZNQCLSA-N 1 0 314.385 3.900 20 5 DHBDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000157962014 524757890 /nfs/dbraw/zinc/75/78/90/524757890.db2.gz VQMFHTOIVSNJAK-OAHLLOKOSA-N 1 0 312.369 3.593 20 5 DHBDRO C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000173354136 525443149 /nfs/dbraw/zinc/44/31/49/525443149.db2.gz SPXIGXOYZSUKOK-CYBMUJFWSA-N 1 0 324.384 3.755 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000266846565 525475025 /nfs/dbraw/zinc/47/50/25/525475025.db2.gz IBAMTLMAERKERP-BDJLRTHQSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000127308989 525646427 /nfs/dbraw/zinc/64/64/27/525646427.db2.gz NCVOVLSSOHUGJD-UKRRQHHQSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000183267366 525695922 /nfs/dbraw/zinc/69/59/22/525695922.db2.gz QVBFFEDAQHNDFI-ZCPGHIKRSA-N 1 0 316.401 3.593 20 5 DHBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000130689862 525783812 /nfs/dbraw/zinc/78/38/12/525783812.db2.gz ALXBZHWSNQNHHM-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO CS[C@@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127945783 525809478 /nfs/dbraw/zinc/80/94/78/525809478.db2.gz XFMOPVJLOUWIKB-JTQLQIEISA-N 1 0 323.443 3.559 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000157735777 525946483 /nfs/dbraw/zinc/94/64/83/525946483.db2.gz XHEDPXSBTVFYBD-NUTKFTJISA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157469345 526078684 /nfs/dbraw/zinc/07/86/84/526078684.db2.gz ZJTSNOLPENJHFE-RDJZCZTQSA-N 1 0 317.433 3.606 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OCC2CC2)CC1 ZINC000364976840 526087311 /nfs/dbraw/zinc/08/73/11/526087311.db2.gz FYZFFMZGQBXVBH-CQSZACIVSA-N 1 0 318.417 3.855 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000130435840 526088937 /nfs/dbraw/zinc/08/89/37/526088937.db2.gz AGULOJPKLMVQON-PXAZEXFGSA-N 1 0 312.369 3.947 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245536636 526089297 /nfs/dbraw/zinc/08/92/97/526089297.db2.gz XPAQCXRGYUEYEQ-GUYCJALGSA-N 1 0 314.389 3.535 20 5 DHBDRO C[C@H](C1CC1)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158023595 526204004 /nfs/dbraw/zinc/20/40/04/526204004.db2.gz CWGFRQJVROWAKN-LLVKDONJSA-N 1 0 317.414 3.949 20 5 DHBDRO CN1CCC12CN(C(=O)c1cccc3cc4ccccc4cc31)C2 ZINC001270531915 1013251352 /nfs/dbraw/zinc/25/13/52/1013251352.db2.gz UWNPSWSCZRUCEL-UHFFFAOYSA-N 1 0 316.404 3.523 20 5 DHBDRO Cc1ccc([C@H]2CN([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000247124086 1013384595 /nfs/dbraw/zinc/38/45/95/1013384595.db2.gz WVICEZLQVRLVRJ-CXAGYDPISA-N 1 0 316.357 3.631 20 5 DHBDRO CN(CCCOc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC000047266128 1013884454 /nfs/dbraw/zinc/88/44/54/1013884454.db2.gz MXUFGKBSLQSBOR-UHFFFAOYSA-N 1 0 306.387 3.557 20 5 DHBDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000237171955 1013896340 /nfs/dbraw/zinc/89/63/40/1013896340.db2.gz SOLRRFHIPKNPRR-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000536023722 1013962130 /nfs/dbraw/zinc/96/21/30/1013962130.db2.gz WOMRNCROIFFNEF-OAHLLOKOSA-N 1 0 317.776 3.847 20 5 DHBDRO CC(C)(C)CC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000053123375 1014444423 /nfs/dbraw/zinc/44/44/23/1014444423.db2.gz MGMQRUWSCLKUIA-UHFFFAOYSA-N 1 0 322.405 3.766 20 5 DHBDRO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccc(C)o1 ZINC000610485006 1014605435 /nfs/dbraw/zinc/60/54/35/1014605435.db2.gz KDYIHXARQYYYKC-AWEZNQCLSA-N 1 0 320.393 3.556 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000442800160 1014737554 /nfs/dbraw/zinc/73/75/54/1014737554.db2.gz LOKKLEIKYHJLLF-ZDUSSCGKSA-N 1 0 309.369 3.969 20 5 DHBDRO C[C@@H]([NH2+]CCc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000157189381 1014979521 /nfs/dbraw/zinc/97/95/21/1014979521.db2.gz OHWWYYDRBUKEMM-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358358443 1015024276 /nfs/dbraw/zinc/02/42/76/1015024276.db2.gz YTBKCUNHYRYQBA-ZBFHGGJFSA-N 1 0 308.422 3.823 20 5 DHBDRO CC(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000051121175 1015076300 /nfs/dbraw/zinc/07/63/00/1015076300.db2.gz RSWQEKQRMBTYMY-SFHVURJKSA-N 1 0 324.384 3.958 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2CSC2)s1 ZINC000895422888 1015148104 /nfs/dbraw/zinc/14/81/04/1015148104.db2.gz SBBCURVFNKFOSX-UHFFFAOYSA-N 1 0 320.439 3.776 20 5 DHBDRO CCC1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000294677554 1032111470 /nfs/dbraw/zinc/11/14/70/1032111470.db2.gz BJBIPVYEKNBFCL-UHFFFAOYSA-N 1 0 303.387 3.751 20 5 DHBDRO CCC(CC)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341597095 1015578783 /nfs/dbraw/zinc/57/87/83/1015578783.db2.gz NQGOWOISCJPAGB-INIZCTEOSA-N 1 0 316.405 3.595 20 5 DHBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185644496 1015607669 /nfs/dbraw/zinc/60/76/69/1015607669.db2.gz VJKYQOQMLLSHCO-WBMJQRKESA-N 1 0 315.373 3.870 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC2(CO)CCCCC2)cc1[N+](=O)[O-] ZINC000610583466 1015634720 /nfs/dbraw/zinc/63/47/20/1015634720.db2.gz QLLOPOBSYVYIBQ-UHFFFAOYSA-N 1 0 320.433 3.751 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)c1ccncc1 ZINC000610831246 1015879351 /nfs/dbraw/zinc/87/93/51/1015879351.db2.gz ZGRQKXYHOOGPJG-LSDHHAIUSA-N 1 0 313.401 3.704 20 5 DHBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380972303 1016258316 /nfs/dbraw/zinc/25/83/16/1016258316.db2.gz BBMNDNOVCRLDLV-INIZCTEOSA-N 1 0 311.385 3.529 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451000648 1016377178 /nfs/dbraw/zinc/37/71/78/1016377178.db2.gz GGZPZANJVSZHBU-HOCLYGCPSA-N 1 0 311.385 3.930 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000178565055 1016667415 /nfs/dbraw/zinc/66/74/15/1016667415.db2.gz ATWTUZMFKJPCCL-ROUUACIJSA-N 1 0 314.385 3.759 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000072667083 1016778968 /nfs/dbraw/zinc/77/89/68/1016778968.db2.gz CQZLKBZHXJPKAP-HNNXBMFYSA-N 1 0 317.433 3.606 20 5 DHBDRO CCCCOC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000537621782 1032313481 /nfs/dbraw/zinc/31/34/81/1032313481.db2.gz DKXSVRBJWLQNEN-SOFGYWHQSA-N 1 0 318.417 3.889 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000282724404 1032464672 /nfs/dbraw/zinc/46/46/72/1032464672.db2.gz METNRHANNPBWFN-YOEHRIQHSA-N 1 0 318.417 3.903 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000282741030 1032471132 /nfs/dbraw/zinc/47/11/32/1032471132.db2.gz NDRRUCJEWDNZQC-IAGOWNOFSA-N 1 0 318.417 3.985 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000282741034 1032471678 /nfs/dbraw/zinc/47/16/78/1032471678.db2.gz NDRRUCJEWDNZQC-IRXDYDNUSA-N 1 0 318.417 3.985 20 5 DHBDRO CC(C)[NH+](CCCNc1ncc([N+](=O)[O-])cc1Cl)C(C)C ZINC000348168562 1032486651 /nfs/dbraw/zinc/48/66/51/1032486651.db2.gz MWIRMKGDLJNWJS-UHFFFAOYSA-N 1 0 314.817 3.564 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3(C(F)F)CC3)o2)c1 ZINC000475219458 1017089881 /nfs/dbraw/zinc/08/98/81/1017089881.db2.gz LQHFNVJWNKNWPW-UHFFFAOYSA-N 1 0 322.311 3.990 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCSC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC001171344446 1032500526 /nfs/dbraw/zinc/50/05/26/1032500526.db2.gz OOOCOUYWRGNIAW-INIZCTEOSA-N 1 0 306.431 3.621 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1cccc(F)c1 ZINC000773052475 1032542863 /nfs/dbraw/zinc/54/28/63/1032542863.db2.gz ZMXPHUGXUOJUJB-JKDFXYPNSA-N 1 0 318.348 3.507 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2nc3ccccc3s2)cs1 ZINC000037562589 1032617501 /nfs/dbraw/zinc/61/75/01/1032617501.db2.gz GWVUJSJWKKKBML-UHFFFAOYSA-N 1 0 319.411 3.598 20 5 DHBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCS1 ZINC000464794174 1012380884 /nfs/dbraw/zinc/38/08/84/1012380884.db2.gz WJMAGFLQOQHDMT-HNNXBMFYSA-N 1 0 324.446 3.709 20 5 DHBDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425343275 1012468193 /nfs/dbraw/zinc/46/81/93/1012468193.db2.gz RMWGKUYQTQMVBV-NWDGAFQWSA-N 1 0 320.336 3.597 20 5 DHBDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425343279 1012469514 /nfs/dbraw/zinc/46/95/14/1012469514.db2.gz RMWGKUYQTQMVBV-VXGBXAGGSA-N 1 0 320.336 3.597 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000515379583 1012612993 /nfs/dbraw/zinc/61/29/93/1012612993.db2.gz HJQOIASGPZGEKD-UKRRQHHQSA-N 1 0 324.808 3.639 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000537689255 1032644783 /nfs/dbraw/zinc/64/47/83/1032644783.db2.gz JQEHYCODTUAPJO-RDJZCZTQSA-N 1 0 318.417 3.719 20 5 DHBDRO Cc1c(C[NH2+]CCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000048348233 1012635078 /nfs/dbraw/zinc/63/50/78/1012635078.db2.gz BQKKRCCQZVMXPJ-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO COc1ccc(C[N@H+](C)C[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000608976716 1012780786 /nfs/dbraw/zinc/78/07/86/1012780786.db2.gz JTBTYGKEEQSEKJ-CQSZACIVSA-N 1 0 314.385 3.839 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000134739640 1012950655 /nfs/dbraw/zinc/95/06/55/1012950655.db2.gz COSYOLHEBYMCOA-GJZGRUSLSA-N 1 0 317.433 3.605 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc3cnn(C)c3c2)cccc1[N+](=O)[O-] ZINC000517640173 1013034342 /nfs/dbraw/zinc/03/43/42/1013034342.db2.gz QVTFPYQHEOUNEQ-ZDUSSCGKSA-N 1 0 324.384 3.641 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000091373231 1017117181 /nfs/dbraw/zinc/11/71/81/1017117181.db2.gz GJDZHALBCDQSET-INIZCTEOSA-N 1 0 318.398 3.776 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000128065573 1017139789 /nfs/dbraw/zinc/13/97/89/1017139789.db2.gz RABGTTDLUXSWFS-SFHVURJKSA-N 1 0 312.369 3.715 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000075744907 1017327275 /nfs/dbraw/zinc/32/72/75/1017327275.db2.gz JVCXIFXZPHJNPB-HOCLYGCPSA-N 1 0 312.369 3.809 20 5 DHBDRO CC(C)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000444771200 1017394447 /nfs/dbraw/zinc/39/44/47/1017394447.db2.gz INNJELWEZOJAID-LBPRGKRZSA-N 1 0 303.362 3.604 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2ccccc2F)c(F)c1 ZINC000475565285 1017438527 /nfs/dbraw/zinc/43/85/27/1017438527.db2.gz LDBIOQLDNCJBLU-UHFFFAOYSA-N 1 0 306.312 3.595 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000166287299 1017576748 /nfs/dbraw/zinc/57/67/48/1017576748.db2.gz WBQOHFSAMUOIJR-JCKWVBRZSA-N 1 0 317.433 3.651 20 5 DHBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCc2ccccc21 ZINC000083138847 1017579318 /nfs/dbraw/zinc/57/93/18/1017579318.db2.gz LNDNLFSARZKOOU-INIZCTEOSA-N 1 0 323.352 3.855 20 5 DHBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444652723 1017607310 /nfs/dbraw/zinc/60/73/10/1017607310.db2.gz JYSWVYFZIHFVSJ-CYBMUJFWSA-N 1 0 316.405 3.872 20 5 DHBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000091483086 1017759367 /nfs/dbraw/zinc/75/93/67/1017759367.db2.gz AZVFCLUHXJQSSI-ZDUSSCGKSA-N 1 0 321.421 3.526 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000061328788 1017840808 /nfs/dbraw/zinc/84/08/08/1017840808.db2.gz QTCMEZIFLMFPBK-HNNXBMFYSA-N 1 0 302.399 3.866 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000127316743 1017954818 /nfs/dbraw/zinc/95/48/18/1017954818.db2.gz KSCXFWKDCRVYEW-UONOGXRCSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173399047 1018196776 /nfs/dbraw/zinc/19/67/76/1018196776.db2.gz ICHWUPOAUARGKM-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO C[C@@]1(c2ccccc2)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000446713780 1018211182 /nfs/dbraw/zinc/21/11/82/1018211182.db2.gz AIMULNRVWKAMCJ-LJQANCHMSA-N 1 0 310.397 3.801 20 5 DHBDRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446845198 1018272037 /nfs/dbraw/zinc/27/20/37/1018272037.db2.gz YSSVXEAYHWLBHW-NEPJUHHUSA-N 1 0 304.394 3.776 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000446889169 1018289629 /nfs/dbraw/zinc/28/96/29/1018289629.db2.gz SRTJVVOZWQAUGP-OAGGEKHMSA-N 1 0 317.433 3.745 20 5 DHBDRO CCC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000174024119 1018381711 /nfs/dbraw/zinc/38/17/11/1018381711.db2.gz ILZAZTBQXCEBNT-KRWDZBQOSA-N 1 0 316.405 3.576 20 5 DHBDRO CC[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cccc([N+](=O)[O-])c1 ZINC000926918377 1032760076 /nfs/dbraw/zinc/76/00/76/1032760076.db2.gz FXJAXBLGWFBMOO-GVDBMIGSSA-N 1 0 304.390 3.595 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000526001433 1018436147 /nfs/dbraw/zinc/43/61/47/1018436147.db2.gz WVDIGYUPYUVGJX-AWEZNQCLSA-N 1 0 300.333 3.723 20 5 DHBDRO CC[C@@H](C)C[N@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765062136 1018466645 /nfs/dbraw/zinc/46/66/45/1018466645.db2.gz POXFPFDDVCEJCG-GFCCVEGCSA-N 1 0 304.394 3.578 20 5 DHBDRO CCOc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000042976784 1018507988 /nfs/dbraw/zinc/50/79/88/1018507988.db2.gz XNDYIAUNPDEAOS-UHFFFAOYSA-N 1 0 300.358 3.626 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccc(F)cc1 ZINC000583510224 1018520963 /nfs/dbraw/zinc/52/09/63/1018520963.db2.gz LHGFNGYCCUSUEM-INIZCTEOSA-N 1 0 300.333 3.554 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1cn(C)nc1CC)c1cccc([N+](=O)[O-])c1 ZINC000091742479 1018600842 /nfs/dbraw/zinc/60/08/42/1018600842.db2.gz WLUWBIGGHAGGPE-QGZVFWFLSA-N 1 0 316.405 3.522 20 5 DHBDRO C[N@H+](CCCc1ccsc1)CCc1cccc([N+](=O)[O-])c1 ZINC000554847212 1018740355 /nfs/dbraw/zinc/74/03/55/1018740355.db2.gz UASQRUIZZOKAGY-UHFFFAOYSA-N 1 0 304.415 3.763 20 5 DHBDRO CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 ZINC000706763436 1018753089 /nfs/dbraw/zinc/75/30/89/1018753089.db2.gz ROTBVGYCKCLYLG-UHFFFAOYSA-N 1 0 313.195 3.732 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc2c1OCC2)c1cccc([N+](=O)[O-])c1 ZINC000921817207 1018896554 /nfs/dbraw/zinc/89/65/54/1018896554.db2.gz JSILUTXTIRVQMO-KRWDZBQOSA-N 1 0 312.369 3.771 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278613684 1018928000 /nfs/dbraw/zinc/92/80/00/1018928000.db2.gz FQAZXPQOBRJMFV-QWRGUYRKSA-N 1 0 302.296 3.930 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000584111193 1018963653 /nfs/dbraw/zinc/96/36/53/1018963653.db2.gz QDGZNRBFIAXHBT-ZDUSSCGKSA-N 1 0 317.776 3.633 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000777010199 1032818596 /nfs/dbraw/zinc/81/85/96/1032818596.db2.gz YMHKYMKHZGITPU-CHWSQXEVSA-N 1 0 320.311 3.603 20 5 DHBDRO CCc1nc(C)c([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000090909818 1019405306 /nfs/dbraw/zinc/40/53/06/1019405306.db2.gz XBFNJYSLEJJRPQ-LLVKDONJSA-N 1 0 319.430 3.815 20 5 DHBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 ZINC000524425118 1019446424 /nfs/dbraw/zinc/44/64/24/1019446424.db2.gz GUTUOYQUSZGRQZ-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO O=[N+]([O-])c1ccsc1NCc1ccccc1C[NH+]1CCCC1 ZINC000611411307 1019474603 /nfs/dbraw/zinc/47/46/03/1019474603.db2.gz BCTIJZDONTUMEC-UHFFFAOYSA-N 1 0 317.414 3.864 20 5 DHBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000301825872 1019504803 /nfs/dbraw/zinc/50/48/03/1019504803.db2.gz MMOSNRLGXASNRI-SECBINFHSA-N 1 0 317.311 3.508 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000154233844 1020083151 /nfs/dbraw/zinc/08/31/51/1020083151.db2.gz GVOAFDRXJCMXET-LRDDRELGSA-N 1 0 324.446 3.930 20 5 DHBDRO NC(=O)CC1CC([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000922512031 1020108011 /nfs/dbraw/zinc/10/80/11/1020108011.db2.gz DRDBSYGUMSVEPZ-UHFFFAOYSA-N 1 0 318.420 3.737 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000555228829 1020152499 /nfs/dbraw/zinc/15/24/99/1020152499.db2.gz KJLHZRFVCSRQDS-QMTHXVAHSA-N 1 0 310.419 3.538 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000154912486 1020163691 /nfs/dbraw/zinc/16/36/91/1020163691.db2.gz YPVZVBHOMSSJLO-QGZVFWFLSA-N 1 0 311.385 3.671 20 5 DHBDRO Cc1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000093705009 1020169894 /nfs/dbraw/zinc/16/98/94/1020169894.db2.gz FPHJWUVPMGGYHH-UHFFFAOYSA-N 1 0 318.417 3.542 20 5 DHBDRO O=[N+]([O-])c1c(F)cccc1NCCCCC[NH+]1CCCCC1 ZINC000732050661 1020199787 /nfs/dbraw/zinc/19/97/87/1020199787.db2.gz ZLWYQLXUGJBDSS-UHFFFAOYSA-N 1 0 309.385 3.802 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(C2CC2)s1 ZINC000555340187 1020214988 /nfs/dbraw/zinc/21/49/88/1020214988.db2.gz RVYKMXPKPCWBIJ-UHFFFAOYSA-N 1 0 317.414 3.603 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)oc2C)cc1[N+](=O)[O-] ZINC000124900761 1020237374 /nfs/dbraw/zinc/23/73/74/1020237374.db2.gz HBVMFBPMLXTYHH-LLVKDONJSA-N 1 0 304.346 3.664 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)c1 ZINC000922774353 1020257222 /nfs/dbraw/zinc/25/72/22/1020257222.db2.gz APLFPBKLLPWMRV-HZPDHXFCSA-N 1 0 318.323 3.733 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCSC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000922842643 1020298789 /nfs/dbraw/zinc/29/87/89/1020298789.db2.gz OKQJBFYLESGVEV-AWEZNQCLSA-N 1 0 306.431 3.811 20 5 DHBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000347631178 1020355782 /nfs/dbraw/zinc/35/57/82/1020355782.db2.gz BERUDVSMNGUNOT-CHWSQXEVSA-N 1 0 315.373 3.719 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000612185764 1020389163 /nfs/dbraw/zinc/38/91/63/1020389163.db2.gz IPHSBYUAOZIEPK-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCSCC2)c1 ZINC000692469997 1020435270 /nfs/dbraw/zinc/43/52/70/1020435270.db2.gz WKYNKXKBYKXIMD-NSHDSACASA-N 1 0 300.811 3.624 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCc2c[nH]c3ccccc23)c1 ZINC000107714153 1020485328 /nfs/dbraw/zinc/48/53/28/1020485328.db2.gz IVZHACGZTMBCEL-UHFFFAOYSA-N 1 0 309.369 3.799 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353508896 1020578127 /nfs/dbraw/zinc/57/81/27/1020578127.db2.gz HNSJXPVRAHDNIE-SJORKVTESA-N 1 0 306.406 3.577 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000153770583 1020581391 /nfs/dbraw/zinc/58/13/91/1020581391.db2.gz FCJIZHJQKLZKMY-YJBOKZPZSA-N 1 0 317.433 3.652 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000735509383 1020741965 /nfs/dbraw/zinc/74/19/65/1020741965.db2.gz YFDWXDHCICTRTM-ZDUSSCGKSA-N 1 0 302.349 3.763 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000177807066 1020807347 /nfs/dbraw/zinc/80/73/47/1020807347.db2.gz ZCRGFSNCZISZHN-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001218026448 1020825070 /nfs/dbraw/zinc/82/50/70/1020825070.db2.gz ZBBFQNWLDIPLHW-UFBFGSQYSA-N 1 0 319.188 3.669 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000066410713 1020849110 /nfs/dbraw/zinc/84/91/10/1020849110.db2.gz BLGZMFAJZVVALP-LBPRGKRZSA-N 1 0 321.402 3.888 20 5 DHBDRO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC4(CCCC4)CC3)c2c1 ZINC000738283537 1020867748 /nfs/dbraw/zinc/86/77/48/1020867748.db2.gz RHKYCXKGFPXQCH-UHFFFAOYSA-N 1 0 314.389 3.558 20 5 DHBDRO C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000581774659 1020901115 /nfs/dbraw/zinc/90/11/15/1020901115.db2.gz CHHSUPZTFFGBEJ-JTQLQIEISA-N 1 0 302.296 3.988 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000740017844 1020927781 /nfs/dbraw/zinc/92/77/81/1020927781.db2.gz CMBBZBVDBRZOBR-IAGOWNOFSA-N 1 0 320.433 3.833 20 5 DHBDRO CO[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000582431078 1020936253 /nfs/dbraw/zinc/93/62/53/1020936253.db2.gz RJPRAISWPHVUEQ-WMZOPIPTSA-N 1 0 312.369 3.559 20 5 DHBDRO COCC[C@H](C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414188051 1020975096 /nfs/dbraw/zinc/97/50/96/1020975096.db2.gz DORPHUYXWNBSOD-LRDDRELGSA-N 1 0 306.406 3.579 20 5 DHBDRO CCC[C@H]([NH2+]C1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000414198743 1020986506 /nfs/dbraw/zinc/98/65/06/1020986506.db2.gz ZWXHPHTVQXJLOL-PREGVCBESA-N 1 0 306.406 3.983 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)[C@@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414223982 1021009815 /nfs/dbraw/zinc/00/98/15/1021009815.db2.gz HCAMUBMQKJCQSM-OAUYIBNBSA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414266915 1021045048 /nfs/dbraw/zinc/04/50/48/1021045048.db2.gz MOOZGDMKVZHTSG-WDEREUQCSA-N 1 0 304.312 3.704 20 5 DHBDRO COCC1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000414315766 1021086252 /nfs/dbraw/zinc/08/62/52/1021086252.db2.gz SOIOKCIOGYCBOH-NFOMZHRRSA-N 1 0 306.406 3.759 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C1CC1 ZINC000414335100 1021105311 /nfs/dbraw/zinc/10/53/11/1021105311.db2.gz JABSOJPMOVBHTC-OWCLPIDISA-N 1 0 312.369 3.655 20 5 DHBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC000776277474 1021208727 /nfs/dbraw/zinc/20/87/27/1021208727.db2.gz PYLGHFCCYMCCEU-PILAGYSTSA-N 1 0 318.417 3.529 20 5 DHBDRO CC(C)[N@@H+](Cc1cccs1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277439 1021208968 /nfs/dbraw/zinc/20/89/68/1021208968.db2.gz PKMKLFISMXKBRV-INIZCTEOSA-N 1 0 320.414 3.600 20 5 DHBDRO CC[C@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177162077 1021220848 /nfs/dbraw/zinc/22/08/48/1021220848.db2.gz OHASXPCZORMQLU-MRXNPFEDSA-N 1 0 303.362 3.748 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOc2ccc(Cl)c(F)c2)c1 ZINC001202397718 1021248100 /nfs/dbraw/zinc/24/81/00/1021248100.db2.gz LJORUYVXKBWZMP-UHFFFAOYSA-N 1 0 324.739 3.556 20 5 DHBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743381056 1021287408 /nfs/dbraw/zinc/28/74/08/1021287408.db2.gz TUDZNGAUMCHYJK-BBRMVZONSA-N 1 0 316.405 3.803 20 5 DHBDRO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCC1 ZINC000618327859 1021353816 /nfs/dbraw/zinc/35/38/16/1021353816.db2.gz YKFLWPGHEKQHAS-UHFFFAOYSA-N 1 0 303.362 3.747 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000618571589 1021435835 /nfs/dbraw/zinc/43/58/35/1021435835.db2.gz RVYMOIVTJSERHP-ACJLOTCBSA-N 1 0 311.385 3.761 20 5 DHBDRO C[C@@H](N[C@@H](C)C[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000480697436 1021466929 /nfs/dbraw/zinc/46/69/29/1021466929.db2.gz KURZHENCZGHMQX-LSDHHAIUSA-N 1 0 305.422 3.510 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850376319 1021497286 /nfs/dbraw/zinc/49/72/86/1021497286.db2.gz XLQHTVYCHMRRCG-AMVALYDKSA-N 1 0 324.380 3.766 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695083596 1021508315 /nfs/dbraw/zinc/50/83/15/1021508315.db2.gz XFLUXEVBYOCKFR-NSHDSACASA-N 1 0 304.724 3.916 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CS1 ZINC000414496000 1021515798 /nfs/dbraw/zinc/51/57/98/1021515798.db2.gz CNJVEIRBADLULH-DGCLKSJQSA-N 1 0 318.398 3.838 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000850439667 1021535682 /nfs/dbraw/zinc/53/56/82/1021535682.db2.gz QTDNSMBZMJLCJL-GMXVVIOVSA-N 1 0 310.419 3.538 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCSC(C)(C)C ZINC000850443537 1021537932 /nfs/dbraw/zinc/53/79/32/1021537932.db2.gz SUKFLVBXUBYQTE-LLVKDONJSA-N 1 0 312.435 3.786 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000850528193 1021580045 /nfs/dbraw/zinc/58/00/45/1021580045.db2.gz JKSYEKMFVGRYEH-BJOOFOGMSA-N 1 0 312.369 3.732 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850529113 1021581313 /nfs/dbraw/zinc/58/13/13/1021581313.db2.gz NMQLSYQIQKYRRU-KSZLIROESA-N 1 0 312.369 3.814 20 5 DHBDRO CC[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850529112 1021583114 /nfs/dbraw/zinc/58/31/14/1021583114.db2.gz NMQLSYQIQKYRRU-BZSNNMDCSA-N 1 0 312.369 3.814 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccccc1 ZINC000892740029 1021592376 /nfs/dbraw/zinc/59/23/76/1021592376.db2.gz HUJHBXWGRGGSMA-AWEZNQCLSA-N 1 0 316.357 3.550 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccccc1 ZINC000892740033 1021593374 /nfs/dbraw/zinc/59/33/74/1021593374.db2.gz HUJHBXWGRGGSMA-CQSZACIVSA-N 1 0 316.357 3.550 20 5 DHBDRO O=[N+]([O-])c1ccsc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619499430 1021773387 /nfs/dbraw/zinc/77/33/87/1021773387.db2.gz RHMWQXKKUWIFDA-AWEZNQCLSA-N 1 0 317.414 3.590 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1cc(O)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000926890869 1021799684 /nfs/dbraw/zinc/79/96/84/1021799684.db2.gz GGBNCSHERADIMD-GHMZBOCLSA-N 1 0 304.321 3.851 20 5 DHBDRO C[C@H]([NH2+][C@H]1C[C@@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000746048320 1021836138 /nfs/dbraw/zinc/83/61/38/1021836138.db2.gz FJJQYJWZOKZOBE-JECHBYEQSA-N 1 0 300.333 3.941 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@H+](CCc2ccccc2)C2CC2)cc1 ZINC000746119353 1021858183 /nfs/dbraw/zinc/85/81/83/1021858183.db2.gz UWZIVICPYLQSAG-UHFFFAOYSA-N 1 0 310.397 3.844 20 5 DHBDRO Cc1cc(F)ncc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000893093684 1021908652 /nfs/dbraw/zinc/90/86/52/1021908652.db2.gz ZWMKOXMTFGZRGO-UHFFFAOYSA-N 1 0 317.364 3.550 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2cnccc21 ZINC000619846240 1021921535 /nfs/dbraw/zinc/92/15/35/1021921535.db2.gz UYZDKSFTDOPOEG-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1[N+](=O)[O-] ZINC000556909176 1021943818 /nfs/dbraw/zinc/94/38/18/1021943818.db2.gz YOXLKQSDVBKXPC-QGZVFWFLSA-N 1 0 318.417 3.598 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(F)(F)F)CC1 ZINC000556919368 1021947908 /nfs/dbraw/zinc/94/79/08/1021947908.db2.gz GGZGGUJBSNXCTQ-LLVKDONJSA-N 1 0 316.323 3.848 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(F)(F)F)CC1 ZINC000556919376 1021948205 /nfs/dbraw/zinc/94/82/05/1021948205.db2.gz GGZGGUJBSNXCTQ-NSHDSACASA-N 1 0 316.323 3.848 20 5 DHBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000919963879 1021990833 /nfs/dbraw/zinc/99/08/33/1021990833.db2.gz OHZCFXHLDGETQW-STQMWFEESA-N 1 0 309.385 3.514 20 5 DHBDRO C[C@@H](CCc1ccco1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000538300839 1033026218 /nfs/dbraw/zinc/02/62/18/1033026218.db2.gz GQRIVAXRURDMCN-GBXSZLQWSA-N 1 0 300.358 3.812 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271433056 1022074949 /nfs/dbraw/zinc/07/49/49/1022074949.db2.gz DJMFZZGKLSAOLR-BJJXKVORSA-N 1 0 306.406 3.839 20 5 DHBDRO CC[C@H](C)[C@H](C)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776583136 1022094040 /nfs/dbraw/zinc/09/40/40/1022094040.db2.gz XQHNEDYDKVHNOY-GDZNZVCISA-N 1 0 306.406 3.527 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CC2CC2)C2CCCCC2)cc1 ZINC000776582462 1022094446 /nfs/dbraw/zinc/09/44/46/1022094446.db2.gz URSLYDHYYDCTIF-GOSISDBHSA-N 1 0 318.417 3.673 20 5 DHBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C[C@@H]1CCCC[N@H+]1C(C)C)CC2 ZINC001168784653 1022101370 /nfs/dbraw/zinc/10/13/70/1022101370.db2.gz FYNXTCVWJLQQEO-INIZCTEOSA-N 1 0 317.433 3.529 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCC23CCCCC3)c1 ZINC000852310667 1022102761 /nfs/dbraw/zinc/10/27/61/1022102761.db2.gz RWARJLRFIVQHMI-DLBZAZTESA-N 1 0 318.417 3.721 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893179354 1022167705 /nfs/dbraw/zinc/16/77/05/1022167705.db2.gz PJXRIZJDGBHKSA-SECBINFHSA-N 1 0 323.780 3.746 20 5 DHBDRO C[C@]12C[C@@H]3C[C@]([NH2+][C@@H]4CC[C@H](C[N+](=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC001168984809 1022200093 /nfs/dbraw/zinc/20/00/93/1022200093.db2.gz AMCKPEBKVULKOW-ARAZSQDJSA-N 1 0 306.450 3.770 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC001168960080 1022201377 /nfs/dbraw/zinc/20/13/77/1022201377.db2.gz ZUMMOBICEIIEKA-VQIMIIECSA-N 1 0 324.424 3.854 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC001168967917 1022203530 /nfs/dbraw/zinc/20/35/30/1022203530.db2.gz UOBAHPHQLQEKRC-MFKMUULPSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)C1 ZINC001168967580 1022203770 /nfs/dbraw/zinc/20/37/70/1022203770.db2.gz QZEVBIUXMGDXEX-VXGBXAGGSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC001168966305 1022204132 /nfs/dbraw/zinc/20/41/32/1022204132.db2.gz HTHAYAFOQHQTNL-CABZTGNLSA-N 1 0 303.189 3.528 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001168973515 1022205335 /nfs/dbraw/zinc/20/53/35/1022205335.db2.gz OWGPLCBSYWIAFU-MJVIPROJSA-N 1 0 316.323 3.801 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC001168970672 1022205594 /nfs/dbraw/zinc/20/55/94/1022205594.db2.gz IEKSBKRCJBPWDR-MNOVXSKESA-N 1 0 303.189 3.528 20 5 DHBDRO CCCC[C@H](CC)COCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970888 1022206098 /nfs/dbraw/zinc/20/60/98/1022206098.db2.gz JDMFLXNGHBRANF-GVDBMIGSSA-N 1 0 314.470 3.645 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)C1 ZINC001168991613 1022208345 /nfs/dbraw/zinc/20/83/45/1022208345.db2.gz IAVDOVCTCWMDOZ-WFASDCNBSA-N 1 0 308.809 3.754 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3F)CCC2)C1 ZINC001168996024 1022208419 /nfs/dbraw/zinc/20/84/19/1022208419.db2.gz UDCACXTVDYDHGI-HOCLYGCPSA-N 1 0 320.408 3.574 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccccc3Cl)C2)C1 ZINC001169034560 1022222317 /nfs/dbraw/zinc/22/23/17/1022222317.db2.gz HUURMWDZEYYJFA-RDBSUJKOSA-N 1 0 308.809 3.575 20 5 DHBDRO CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041686 1022224431 /nfs/dbraw/zinc/22/44/31/1022224431.db2.gz CAGXBNJQFKFCTL-YCPHGPKFSA-N 1 0 320.458 3.991 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001169025500 1022228178 /nfs/dbraw/zinc/22/81/78/1022228178.db2.gz JQUTUPUUFOVXSQ-IOASZLSFSA-N 1 0 308.809 3.922 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3ccc(F)cc3F)CC2)C1 ZINC001169054903 1022233489 /nfs/dbraw/zinc/23/34/89/1022233489.db2.gz OCNDPVQPCRQWSF-WFASDCNBSA-N 1 0 324.371 3.590 20 5 DHBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC001169065007 1022238603 /nfs/dbraw/zinc/23/86/03/1022238603.db2.gz GCXMCOCBGGFACL-JTQLQIEISA-N 1 0 310.806 3.996 20 5 DHBDRO C[C@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 ZINC000609358068 1022273096 /nfs/dbraw/zinc/27/30/96/1022273096.db2.gz CXTKXCDZYDZRLP-IBGZPJMESA-N 1 0 310.397 3.979 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800772 1022352609 /nfs/dbraw/zinc/35/26/09/1022352609.db2.gz SCNZCSYOUUONKF-QGZVFWFLSA-N 1 0 314.410 3.885 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000609805238 1022355931 /nfs/dbraw/zinc/35/59/31/1022355931.db2.gz YLIWGRIMUSHEFT-AWEZNQCLSA-N 1 0 300.383 3.840 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000609916445 1022382658 /nfs/dbraw/zinc/38/26/58/1022382658.db2.gz ORYMVCPBNPBEMB-OAHLLOKOSA-N 1 0 314.360 3.799 20 5 DHBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000610133444 1022425451 /nfs/dbraw/zinc/42/54/51/1022425451.db2.gz PBDRAJSKEBUNMU-BRWVUGGUSA-N 1 0 318.417 3.620 20 5 DHBDRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000776722153 1022431328 /nfs/dbraw/zinc/43/13/28/1022431328.db2.gz DKVFWODDNDCLNY-OAGGEKHMSA-N 1 0 320.458 3.790 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000090809759 1022465637 /nfs/dbraw/zinc/46/56/37/1022465637.db2.gz ZKPSSWJNOMFFLF-XJKSGUPXSA-N 1 0 308.422 3.597 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000538412179 1033059288 /nfs/dbraw/zinc/05/92/88/1033059288.db2.gz JJBKAZYEXRIXOV-ZJNRKIDTSA-N 1 0 312.369 3.638 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C(C)C)no1 ZINC000615724088 1022546057 /nfs/dbraw/zinc/54/60/57/1022546057.db2.gz LRJRQIZNQJVKPW-NTUHNPAUSA-N 1 0 315.373 3.899 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccccn1)CCCC2 ZINC000417293735 1022672053 /nfs/dbraw/zinc/67/20/53/1022672053.db2.gz AJHFFYQVMBHNNQ-SFHVURJKSA-N 1 0 311.385 3.590 20 5 DHBDRO CCC[C@@](C)(O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307808 1022675995 /nfs/dbraw/zinc/67/59/95/1022675995.db2.gz HJFDVDZUQAORMK-IAGOWNOFSA-N 1 0 306.406 3.503 20 5 DHBDRO CCC[C@](C)(O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307810 1022676637 /nfs/dbraw/zinc/67/66/37/1022676637.db2.gz HJFDVDZUQAORMK-SJORKVTESA-N 1 0 306.406 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC[C@H]1CCOC1)CCCC2 ZINC000417354600 1022699597 /nfs/dbraw/zinc/69/95/97/1022699597.db2.gz ZODSDEXYZRWJTL-KSSFIOAISA-N 1 0 318.417 3.769 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000584849777 1022810520 /nfs/dbraw/zinc/81/05/20/1022810520.db2.gz LDEMZRSHLFSSCQ-CPUCHLNUSA-N 1 0 318.417 3.765 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000856806149 1022872375 /nfs/dbraw/zinc/87/23/75/1022872375.db2.gz BAHNHJKZOXSJTE-FHMRSRPSSA-N 1 0 315.200 3.782 20 5 DHBDRO CCSC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000691821044 1022973495 /nfs/dbraw/zinc/97/34/95/1022973495.db2.gz YSTGUNDLWICYAP-UHFFFAOYSA-N 1 0 300.811 3.624 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)ccc1Cl ZINC000768548925 1022995738 /nfs/dbraw/zinc/99/57/38/1022995738.db2.gz LEKISLPVMWBQHR-INIZCTEOSA-N 1 0 324.808 3.641 20 5 DHBDRO COc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC001167753546 1023041762 /nfs/dbraw/zinc/04/17/62/1023041762.db2.gz PNPACULDIOXKJC-ZDUSSCGKSA-N 1 0 321.421 3.588 20 5 DHBDRO CCc1nc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000184695940 1023075697 /nfs/dbraw/zinc/07/56/97/1023075697.db2.gz SNJVVRDWFWWIFB-NSHDSACASA-N 1 0 305.403 3.507 20 5 DHBDRO Cc1cc([C@@H]2CCC[N@@H+]2Cc2c(C)ccc([N+](=O)[O-])c2C)on1 ZINC000876617275 1033106267 /nfs/dbraw/zinc/10/62/67/1033106267.db2.gz JAZANYCGNXJVTN-INIZCTEOSA-N 1 0 315.373 3.845 20 5 DHBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C)[NH+]1CCCC1 ZINC000110933446 1023310973 /nfs/dbraw/zinc/31/09/73/1023310973.db2.gz WPXLNCAAVMGTPF-MRXNPFEDSA-N 1 0 320.437 3.611 20 5 DHBDRO CCC[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000112377018 1023803750 /nfs/dbraw/zinc/80/37/50/1023803750.db2.gz HTNFQBIAUVONMS-GFCCVEGCSA-N 1 0 320.414 3.574 20 5 DHBDRO CC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)C(C)C ZINC000112656961 1023815012 /nfs/dbraw/zinc/81/50/12/1023815012.db2.gz WMZPAVVMSGKQBY-GFCCVEGCSA-N 1 0 318.377 3.511 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc(Br)c2)c1 ZINC000048817883 1023815998 /nfs/dbraw/zinc/81/59/98/1023815998.db2.gz AOWPXUPRLHVFDU-UHFFFAOYSA-N 1 0 321.174 3.647 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000181813814 1023816051 /nfs/dbraw/zinc/81/60/51/1023816051.db2.gz GHIRSBJJFNJAME-INIZCTEOSA-N 1 0 318.348 3.983 20 5 DHBDRO C[N@H+](CCCOc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788471711 1023890182 /nfs/dbraw/zinc/89/01/82/1023890182.db2.gz YNFBOLLZCRJUPY-UHFFFAOYSA-N 1 0 318.348 3.635 20 5 DHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788627104 1023916850 /nfs/dbraw/zinc/91/68/50/1023916850.db2.gz LWMMVXWFNMPIJO-HZUKXOBISA-N 1 0 323.462 3.892 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000788684773 1023918971 /nfs/dbraw/zinc/91/89/71/1023918971.db2.gz FADHEDMVPPTXNS-XPTSAGLGSA-N 1 0 318.377 3.584 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788776224 1023937426 /nfs/dbraw/zinc/93/74/26/1023937426.db2.gz KZPQOZWBOOZLRT-LBPRGKRZSA-N 1 0 311.385 3.905 20 5 DHBDRO CCC[C@H](NCc1cn2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000268717898 1024145356 /nfs/dbraw/zinc/14/53/56/1024145356.db2.gz JHAJKGRRAJNUCH-KRWDZBQOSA-N 1 0 324.384 3.874 20 5 DHBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268905358 1024191735 /nfs/dbraw/zinc/19/17/35/1024191735.db2.gz LRXWVSSTXAUUGM-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1sccc1C ZINC000268926279 1024195948 /nfs/dbraw/zinc/19/59/48/1024195948.db2.gz RRKUTBTWRLERGI-NSHDSACASA-N 1 0 306.387 3.824 20 5 DHBDRO Cc1c([C@H](C)NC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000268975036 1024208041 /nfs/dbraw/zinc/20/80/41/1024208041.db2.gz GOBSOEZQJGPABY-AWEZNQCLSA-N 1 0 317.433 3.571 20 5 DHBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000520183041 1024208631 /nfs/dbraw/zinc/20/86/31/1024208631.db2.gz CQYWHPODZGZFTO-UHFFFAOYSA-N 1 0 314.385 3.804 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)cccc1[N+](=O)[O-] ZINC000269052909 1024232376 /nfs/dbraw/zinc/23/23/76/1024232376.db2.gz RPCHTFHESHDZOX-BLLLJJGKSA-N 1 0 320.414 3.523 20 5 DHBDRO Cc1cnc(CC[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000270119055 1024352331 /nfs/dbraw/zinc/35/23/31/1024352331.db2.gz NKYOXRWVKBCNBA-GFCCVEGCSA-N 1 0 305.403 3.595 20 5 DHBDRO CC[N@H+](CCc1nccs1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270789634 1024429895 /nfs/dbraw/zinc/42/98/95/1024429895.db2.gz JQULAHDEHRGIKF-GFCCVEGCSA-N 1 0 305.403 3.677 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cnc(C3CC3)o1)CCC2 ZINC000453338900 1024470243 /nfs/dbraw/zinc/47/02/43/1024470243.db2.gz CSEBRWHFENASSQ-INIZCTEOSA-N 1 0 313.357 3.627 20 5 DHBDRO CCC(C)(C)OCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453405078 1024503233 /nfs/dbraw/zinc/50/32/33/1024503233.db2.gz IULMINFTZDXTMA-MRXNPFEDSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000453637453 1024559382 /nfs/dbraw/zinc/55/93/82/1024559382.db2.gz UXILCOAIBIVYLN-PXAZEXFGSA-N 1 0 320.389 3.520 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000532188088 1024569772 /nfs/dbraw/zinc/56/97/72/1024569772.db2.gz AKRCRWMPHOMCKJ-CVEARBPZSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)c1ccccc1C ZINC000532247811 1024584016 /nfs/dbraw/zinc/58/40/16/1024584016.db2.gz FRERGSUUPCEULG-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000348931358 1024651779 /nfs/dbraw/zinc/65/17/79/1024651779.db2.gz AWHSAAVBERRQFX-AUNFYEFLSA-N 1 0 309.369 3.840 20 5 DHBDRO Cc1c(C[N@@H+](C)[C@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000109780997 1024695614 /nfs/dbraw/zinc/69/56/14/1024695614.db2.gz DXLWAMIYQBMCGH-CYBMUJFWSA-N 1 0 300.358 3.802 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000349344242 1024706039 /nfs/dbraw/zinc/70/60/39/1024706039.db2.gz RFDWCQFKINPMAE-CVEARBPZSA-N 1 0 320.414 3.821 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001170296131 1024728124 /nfs/dbraw/zinc/72/81/24/1024728124.db2.gz ZWQBYJQDZNUFIQ-AWEZNQCLSA-N 1 0 314.385 3.633 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]Cc2sccc2C)c([N+](=O)[O-])c1 ZINC001170299166 1024729173 /nfs/dbraw/zinc/72/91/73/1024729173.db2.gz RNAKFHVCMFOFRO-LBPRGKRZSA-N 1 0 320.414 3.694 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]CC2(C)CCCC2)c([N+](=O)[O-])c1 ZINC001170299019 1024730365 /nfs/dbraw/zinc/73/03/65/1024730365.db2.gz PPDZWYVCWBETMQ-ZDUSSCGKSA-N 1 0 306.406 3.704 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC001170305289 1024732210 /nfs/dbraw/zinc/73/22/10/1024732210.db2.gz ITHIZWYXBKBSLX-KBPBESRZSA-N 1 0 308.422 3.949 20 5 DHBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC001170280170 1024734303 /nfs/dbraw/zinc/73/43/03/1024734303.db2.gz BYKOMIWRFZEFRI-NWDGAFQWSA-N 1 0 310.369 3.753 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC001170336394 1024746715 /nfs/dbraw/zinc/74/67/15/1024746715.db2.gz XKGRZGGRKRHIIS-ZIAGYGMSSA-N 1 0 306.406 3.656 20 5 DHBDRO CC[C@@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352789 1024749384 /nfs/dbraw/zinc/74/93/84/1024749384.db2.gz QGXPRGNHOOCBNH-UKRRQHHQSA-N 1 0 306.406 3.799 20 5 DHBDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000111311334 1024752479 /nfs/dbraw/zinc/75/24/79/1024752479.db2.gz WKRPHYXXLJEKBQ-OAHLLOKOSA-N 1 0 317.414 3.869 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170345742 1024756126 /nfs/dbraw/zinc/75/61/26/1024756126.db2.gz LIUYOTNIDBNINF-RDBSUJKOSA-N 1 0 306.406 3.655 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccccc1F ZINC000050507869 1024778133 /nfs/dbraw/zinc/77/81/33/1024778133.db2.gz GIRPTLJNRUFBJU-CYBMUJFWSA-N 1 0 318.348 3.806 20 5 DHBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000342685394 1024847187 /nfs/dbraw/zinc/84/71/87/1024847187.db2.gz HPQVPCDXLMLTKL-OAGGEKHMSA-N 1 0 317.433 3.603 20 5 DHBDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000793242390 1024961297 /nfs/dbraw/zinc/96/12/97/1024961297.db2.gz QHJKTSJVYKZGCN-ROUUACIJSA-N 1 0 314.385 3.587 20 5 DHBDRO C[C@@H]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000793346711 1024987289 /nfs/dbraw/zinc/98/72/89/1024987289.db2.gz JCJNTJQNDGBBQB-CABCVRRESA-N 1 0 317.433 3.589 20 5 DHBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793338183 1024996627 /nfs/dbraw/zinc/99/66/27/1024996627.db2.gz CYVFNUKEISMOCN-HNNXBMFYSA-N 1 0 312.797 3.639 20 5 DHBDRO C[C@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467839111 1025015097 /nfs/dbraw/zinc/01/50/97/1025015097.db2.gz MXKNJYRWWLRGKE-GJZGRUSLSA-N 1 0 319.449 3.756 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000539056653 1033260457 /nfs/dbraw/zinc/26/04/57/1033260457.db2.gz USSPFCOUZMCGFJ-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353626746 1025159793 /nfs/dbraw/zinc/15/97/93/1025159793.db2.gz USIUWIHTGLBKJS-ZDUSSCGKSA-N 1 0 324.384 3.582 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353746090 1025228309 /nfs/dbraw/zinc/22/83/09/1025228309.db2.gz KVMWYXZBRBPAIX-NTSMAEHXSA-N 1 0 316.401 3.501 20 5 DHBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000236869589 1025316332 /nfs/dbraw/zinc/31/63/32/1025316332.db2.gz ANQDOVBIDIWUJC-DYVFJYSZSA-N 1 0 308.422 3.605 20 5 DHBDRO C[C@@H](C[NH2+]Cc1cnc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000897461020 1025361836 /nfs/dbraw/zinc/36/18/36/1025361836.db2.gz XFZMBQNGYAEVFU-JTQLQIEISA-N 1 0 323.755 3.676 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465632 1025368404 /nfs/dbraw/zinc/36/84/04/1025368404.db2.gz YQPJIAGTGTXEPQ-KGLIPLIRSA-N 1 0 314.385 3.625 20 5 DHBDRO COC1(C[C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000897465675 1025368751 /nfs/dbraw/zinc/36/87/51/1025368751.db2.gz ZKTXTBXZNVZHOU-UONOGXRCSA-N 1 0 306.406 3.636 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000885958837 1025419726 /nfs/dbraw/zinc/41/97/26/1025419726.db2.gz MPOGYRFVKBPICY-KRWDZBQOSA-N 1 0 311.385 3.587 20 5 DHBDRO C[C@@H](c1cccc(Cl)c1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000885960195 1025419870 /nfs/dbraw/zinc/41/98/70/1025419870.db2.gz HVNZZVALNUCXLZ-NSHDSACASA-N 1 0 305.765 3.836 20 5 DHBDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000886010595 1025436110 /nfs/dbraw/zinc/43/61/10/1025436110.db2.gz LTKYFGPNSPWMTO-NUEKZKHPSA-N 1 0 306.406 3.902 20 5 DHBDRO CO[C@@H](C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)C ZINC000354474035 1025439302 /nfs/dbraw/zinc/43/93/02/1025439302.db2.gz ZPZLVMOFNQYUGH-AWEZNQCLSA-N 1 0 324.421 3.627 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000090217420 1025455585 /nfs/dbraw/zinc/45/55/85/1025455585.db2.gz VNFBZKSGLNBVRI-NEPJUHHUSA-N 1 0 314.389 3.722 20 5 DHBDRO Cc1cc(NC2CC[NH+](CC3CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000747211564 1025464671 /nfs/dbraw/zinc/46/46/71/1025464671.db2.gz OCDXBCKTWDSKSL-UHFFFAOYSA-N 1 0 323.824 3.843 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000354715576 1025487924 /nfs/dbraw/zinc/48/79/24/1025487924.db2.gz WZSYIRMPSIAPOT-STQMWFEESA-N 1 0 316.357 3.512 20 5 DHBDRO CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000728928835 1025532220 /nfs/dbraw/zinc/53/22/20/1025532220.db2.gz HXLOCPZISANLED-UHFFFAOYSA-N 1 0 318.348 3.638 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCc3cccnc32)cc1 ZINC000886549924 1025697243 /nfs/dbraw/zinc/69/72/43/1025697243.db2.gz PICRUIQSBTZQKD-KRWDZBQOSA-N 1 0 311.385 3.590 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3ccc(F)cc32)cc1 ZINC000355484818 1025741883 /nfs/dbraw/zinc/74/18/83/1025741883.db2.gz KNBARZUAOYQCOP-KRWDZBQOSA-N 1 0 300.333 3.901 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614253542 1025998444 /nfs/dbraw/zinc/99/84/44/1025998444.db2.gz IPZPGZLSDGNJCR-ALCCZGGFSA-N 1 0 316.401 3.501 20 5 DHBDRO Cc1cnc(CC[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000093773497 1026128798 /nfs/dbraw/zinc/12/87/98/1026128798.db2.gz CCDRQKYVTAFODF-FNORWQNLSA-N 1 0 317.414 3.547 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC12CCC2 ZINC000357062498 1026300659 /nfs/dbraw/zinc/30/06/59/1026300659.db2.gz FKAZMSVEEYKVQA-GFCCVEGCSA-N 1 0 315.373 3.748 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000808721554 1026366852 /nfs/dbraw/zinc/36/68/52/1026366852.db2.gz OKLCZRHXPINWBZ-DEYYWGMASA-N 1 0 314.385 3.676 20 5 DHBDRO CSC1(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000809541343 1026548864 /nfs/dbraw/zinc/54/88/64/1026548864.db2.gz RWRRMVKOCUHMCA-UHFFFAOYSA-N 1 0 300.811 3.576 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1(C2CC2)CC1 ZINC000809975259 1026652103 /nfs/dbraw/zinc/65/21/03/1026652103.db2.gz DACVJJPECIYYMD-UHFFFAOYSA-N 1 0 301.173 3.934 20 5 DHBDRO COC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000809975350 1026652547 /nfs/dbraw/zinc/65/25/47/1026652547.db2.gz GNESGDCJECCKAN-LBPRGKRZSA-N 1 0 321.204 3.662 20 5 DHBDRO Cc1cc(NC2CCC([NH3+])CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420162904 1026786708 /nfs/dbraw/zinc/78/67/08/1026786708.db2.gz KUXHVQSEXGDCNZ-UHFFFAOYSA-N 1 0 317.311 3.604 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000811483438 1027009306 /nfs/dbraw/zinc/00/93/06/1027009306.db2.gz JKXJPOQYSZGYGV-JTQLQIEISA-N 1 0 321.229 3.887 20 5 DHBDRO CSC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811497468 1027012445 /nfs/dbraw/zinc/01/24/45/1027012445.db2.gz OCWMDURPVRSDBX-UHFFFAOYSA-N 1 0 321.229 3.887 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@H]1CCCO1 ZINC000811473933 1027015366 /nfs/dbraw/zinc/01/53/66/1027015366.db2.gz QZZFZHPOOKTEEE-LLVKDONJSA-N 1 0 319.188 3.560 20 5 DHBDRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000421855165 1027068305 /nfs/dbraw/zinc/06/83/05/1027068305.db2.gz LQITZIUQMLEABY-UNEWFSDZSA-N 1 0 304.390 3.519 20 5 DHBDRO Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574242653 1027377020 /nfs/dbraw/zinc/37/70/20/1027377020.db2.gz CWQHVZNGAOSTSC-AWEZNQCLSA-N 1 0 313.401 3.927 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1COc3ccccc3C1)CCC2 ZINC000575081586 1027453422 /nfs/dbraw/zinc/45/34/22/1027453422.db2.gz FIAYCVMUSQDNLU-YJBOKZPZSA-N 1 0 324.380 3.566 20 5 DHBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)Cc2ccccc21 ZINC000747841063 1027560478 /nfs/dbraw/zinc/56/04/78/1027560478.db2.gz NLEKUROOEOLXFP-GFCCVEGCSA-N 1 0 300.333 3.853 20 5 DHBDRO COc1ccc(C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000576554849 1027632146 /nfs/dbraw/zinc/63/21/46/1027632146.db2.gz XUPQOXOOVOLKHT-WFASDCNBSA-N 1 0 304.390 3.685 20 5 DHBDRO CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000577002494 1027692129 /nfs/dbraw/zinc/69/21/29/1027692129.db2.gz FDYUURUBMTWVRI-UHFFFAOYSA-N 1 0 317.389 3.913 20 5 DHBDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296639286 1027692976 /nfs/dbraw/zinc/69/29/76/1027692976.db2.gz BXYSOWYVINXDFU-ZYHUDNBSSA-N 1 0 320.311 3.603 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H](OCC3CC3)C2)c1 ZINC000778173326 1027739598 /nfs/dbraw/zinc/73/95/98/1027739598.db2.gz SQPOUOCCDLOFGZ-OAHLLOKOSA-N 1 0 324.808 3.639 20 5 DHBDRO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000448361125 1027757822 /nfs/dbraw/zinc/75/78/22/1027757822.db2.gz VWWGJIGLTGOWPT-GOEBONIOSA-N 1 0 320.433 3.844 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCOC12CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000933875632 1027853352 /nfs/dbraw/zinc/85/33/52/1027853352.db2.gz UCUQGRVVBUAQBU-CZUORRHYSA-N 1 0 304.390 3.737 20 5 DHBDRO CCCCC1([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000934207663 1027933446 /nfs/dbraw/zinc/93/34/46/1027933446.db2.gz SDGPCIZYRJQJCA-ZDUSSCGKSA-N 1 0 319.405 3.543 20 5 DHBDRO COC1CCC(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000563415569 1028034247 /nfs/dbraw/zinc/03/42/47/1028034247.db2.gz CNWLZSZLGJMQAE-MQBCKMQZSA-N 1 0 318.417 3.767 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC2(O)CCCCCC2)cccc1[N+](=O)[O-] ZINC000129825572 1028081403 /nfs/dbraw/zinc/08/14/03/1028081403.db2.gz FQZBBUOPJOUGTA-AWEZNQCLSA-N 1 0 306.406 3.639 20 5 DHBDRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578205633 1028089987 /nfs/dbraw/zinc/08/99/87/1028089987.db2.gz WEALAWVXDURPCC-NHYWBVRUSA-N 1 0 302.399 3.864 20 5 DHBDRO C[C@H](CCC1CC1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564196381 1028352818 /nfs/dbraw/zinc/35/28/18/1028352818.db2.gz VWAREAYMVYQUIU-GFCCVEGCSA-N 1 0 301.390 3.787 20 5 DHBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579279486 1028368624 /nfs/dbraw/zinc/36/86/24/1028368624.db2.gz LUSFMYXYDFIOCP-LRDDRELGSA-N 1 0 301.390 3.787 20 5 DHBDRO C[C@@H]1[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000368834678 1028414934 /nfs/dbraw/zinc/41/49/34/1028414934.db2.gz PDRKFVNJOYEZBR-LBPRGKRZSA-N 1 0 324.808 3.639 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000369327079 1028471738 /nfs/dbraw/zinc/47/17/38/1028471738.db2.gz OGEQRXFUQCTIDW-CZUORRHYSA-N 1 0 304.390 3.513 20 5 DHBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000449283751 1028511302 /nfs/dbraw/zinc/51/13/02/1028511302.db2.gz MMCOUINJRMLOKF-ZDUSSCGKSA-N 1 0 302.378 3.530 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562068 1028544746 /nfs/dbraw/zinc/54/47/46/1028544746.db2.gz WGPJWQUZDCMNNG-MJVIPROJSA-N 1 0 315.373 3.744 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000815566872 1028546814 /nfs/dbraw/zinc/54/68/14/1028546814.db2.gz HUOJYCJVLUGVMR-RYUDHWBXSA-N 1 0 317.364 3.770 20 5 DHBDRO Cc1cccc([C@@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815582833 1028553394 /nfs/dbraw/zinc/55/33/94/1028553394.db2.gz QGNHBGJRPWVYMM-UONOGXRCSA-N 1 0 313.401 3.940 20 5 DHBDRO Cc1cccc([C@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815582834 1028553416 /nfs/dbraw/zinc/55/34/16/1028553416.db2.gz QGNHBGJRPWVYMM-ZIAGYGMSSA-N 1 0 313.401 3.940 20 5 DHBDRO Cc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815582307 1028554452 /nfs/dbraw/zinc/55/44/52/1028554452.db2.gz CBCKWZQSLGCVRY-JQWIXIFHSA-N 1 0 319.430 3.829 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000565216548 1028557916 /nfs/dbraw/zinc/55/79/16/1028557916.db2.gz KGGKUUWFSYJHCU-DLBZAZTESA-N 1 0 312.344 3.998 20 5 DHBDRO COC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000449346358 1028558912 /nfs/dbraw/zinc/55/89/12/1028558912.db2.gz MSMPIXHFWOOGJO-UVTDQMKNSA-N 1 0 304.390 3.547 20 5 DHBDRO Cc1ccc(OC[C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000040499623 1028559699 /nfs/dbraw/zinc/55/96/99/1028559699.db2.gz PLECOHCUZKVFNJ-GFCCVEGCSA-N 1 0 306.387 3.522 20 5 DHBDRO C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815605362 1028581460 /nfs/dbraw/zinc/58/14/60/1028581460.db2.gz RXRNMVQSXBGVIU-NSHDSACASA-N 1 0 315.348 3.656 20 5 DHBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001159398229 1028585091 /nfs/dbraw/zinc/58/50/91/1028585091.db2.gz YFCLSZQGNBTYBB-UHFFFAOYSA-N 1 0 320.437 3.670 20 5 DHBDRO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449496227 1028710998 /nfs/dbraw/zinc/71/09/98/1028710998.db2.gz GEWIVPUEEDFBLG-OAHLLOKOSA-N 1 0 315.373 3.579 20 5 DHBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000449497736 1028711284 /nfs/dbraw/zinc/71/12/84/1028711284.db2.gz RKWYZDQIZVYMCF-HEHOKSJQSA-N 1 0 318.417 3.649 20 5 DHBDRO Cc1ccncc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449504325 1028723161 /nfs/dbraw/zinc/72/31/61/1028723161.db2.gz VTUCZVUTPOXRFV-INIZCTEOSA-N 1 0 311.385 3.678 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000371636699 1028737343 /nfs/dbraw/zinc/73/73/43/1028737343.db2.gz DOALVGSIKNJYNP-WMLDXEAASA-N 1 0 318.417 3.794 20 5 DHBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449519599 1028742705 /nfs/dbraw/zinc/74/27/05/1028742705.db2.gz DGQVYCOUZHXMHD-NVXWUHKLSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000372094751 1028804913 /nfs/dbraw/zinc/80/49/13/1028804913.db2.gz LPDINQWZLOFJQJ-DOPJRALCSA-N 1 0 318.417 3.759 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@H](c3cccs3)C2)cs1 ZINC000449620696 1028856160 /nfs/dbraw/zinc/85/61/60/1028856160.db2.gz FSESCMODPPFECS-RYUDHWBXSA-N 1 0 324.427 3.728 20 5 DHBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000449625014 1028859958 /nfs/dbraw/zinc/85/99/58/1028859958.db2.gz AMKPZRMZFFEQAI-PXAZEXFGSA-N 1 0 306.406 3.621 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000568468268 1029076231 /nfs/dbraw/zinc/07/62/31/1029076231.db2.gz LTFLNZRXWAOHOW-HOCLYGCPSA-N 1 0 311.385 3.849 20 5 DHBDRO Cc1cnccc1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000568862604 1029137330 /nfs/dbraw/zinc/13/73/30/1029137330.db2.gz QMUFKVPSHYHQFW-UHFFFAOYSA-N 1 0 311.385 3.505 20 5 DHBDRO Cc1cnc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC000374231793 1029250337 /nfs/dbraw/zinc/25/03/37/1029250337.db2.gz XSFKMORIHSGIPF-AWEZNQCLSA-N 1 0 317.414 3.739 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000374329247 1029295095 /nfs/dbraw/zinc/29/50/95/1029295095.db2.gz JWKHEUDROCENQI-YOEHRIQHSA-N 1 0 311.385 3.806 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCC(F)(F)C2)C2CC2)c1 ZINC000450497908 1029503588 /nfs/dbraw/zinc/50/35/88/1029503588.db2.gz GZFFDJCTARTLHH-CYBMUJFWSA-N 1 0 310.344 3.995 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCC1(F)F ZINC000450932773 1029736268 /nfs/dbraw/zinc/73/62/68/1029736268.db2.gz COFZDCMDWYTXOC-CQSZACIVSA-N 1 0 312.360 3.895 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cs1 ZINC000530280383 1029801016 /nfs/dbraw/zinc/80/10/16/1029801016.db2.gz GUVRKKBFMCZSQN-CYBMUJFWSA-N 1 0 306.362 3.785 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccc(O)c1 ZINC000530342082 1029820852 /nfs/dbraw/zinc/82/08/52/1029820852.db2.gz VVYSVSNWXRWSCI-ZROIWOOFSA-N 1 0 312.369 3.836 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451332988 1029850663 /nfs/dbraw/zinc/85/06/63/1029850663.db2.gz ADZADYBRGRVGJP-VUNQQRPYSA-N 1 0 318.417 3.671 20 5 DHBDRO CC(C)(C)OCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545932 1029908904 /nfs/dbraw/zinc/90/89/04/1029908904.db2.gz HYPGXCIKWFOQIX-HNNXBMFYSA-N 1 0 306.406 3.589 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2cnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000865787130 1030024671 /nfs/dbraw/zinc/02/46/71/1030024671.db2.gz INGYXVMSYMZYBY-UHFFFAOYSA-N 1 0 305.403 3.773 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000924796885 1030189830 /nfs/dbraw/zinc/18/98/30/1030189830.db2.gz DOUVFBWOWHBCPA-GHMZBOCLSA-N 1 0 304.321 3.851 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC(F)(F)F ZINC000866275400 1030196901 /nfs/dbraw/zinc/19/69/01/1030196901.db2.gz APSYCGNHARAKBI-SECBINFHSA-N 1 0 308.275 3.597 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCC(F)(F)C1 ZINC000866307358 1030215941 /nfs/dbraw/zinc/21/59/41/1030215941.db2.gz YWXYJUURMCJVPU-MFKMUULPSA-N 1 0 316.323 3.832 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCCCO1 ZINC000866339268 1030240355 /nfs/dbraw/zinc/24/03/55/1030240355.db2.gz IBWSXBZULZWEMY-CJNGLKHVSA-N 1 0 324.396 3.604 20 5 DHBDRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866339398 1030240643 /nfs/dbraw/zinc/24/06/43/1030240643.db2.gz BFZRDQNDEGMTTQ-DTWKUNHWSA-N 1 0 308.275 3.595 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC(C)(F)F ZINC000866363512 1030256218 /nfs/dbraw/zinc/25/62/18/1030256218.db2.gz MFHYTXTVEMPMNV-JTQLQIEISA-N 1 0 304.312 3.690 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000533413958 1030338835 /nfs/dbraw/zinc/33/88/35/1030338835.db2.gz DWXORUGTHQHMKV-AWEZNQCLSA-N 1 0 311.385 3.608 20 5 DHBDRO O=[N+]([O-])c1ccc(CN[C@@H]2COCc3cccc(Cl)c32)cc1 ZINC000925307821 1030341627 /nfs/dbraw/zinc/34/16/27/1030341627.db2.gz NVSFFNZWUCFRMF-OAHLLOKOSA-N 1 0 318.760 3.609 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000866527570 1030344311 /nfs/dbraw/zinc/34/43/11/1030344311.db2.gz KLSLILBBZPPLQG-DOTOQJQBSA-N 1 0 318.417 3.842 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000866537463 1030356101 /nfs/dbraw/zinc/35/61/01/1030356101.db2.gz OMHRFYLWMINTBT-RYQLBKOJSA-N 1 0 318.417 3.698 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)cc1[N+](=O)[O-] ZINC000866540530 1030360374 /nfs/dbraw/zinc/36/03/74/1030360374.db2.gz PZTMRVWSHAAYGO-QGZVFWFLSA-N 1 0 317.364 3.924 20 5 DHBDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925468023 1030371099 /nfs/dbraw/zinc/37/10/99/1030371099.db2.gz YBRHUBTUARFRNY-ZWKOTPCHSA-N 1 0 320.433 3.568 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000925497406 1030376746 /nfs/dbraw/zinc/37/67/46/1030376746.db2.gz WKLZOLDXLXONMA-DVAZGXKRSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)cc1[N+](=O)[O-] ZINC000925497408 1030377800 /nfs/dbraw/zinc/37/78/00/1030377800.db2.gz WKLZOLDXLXONMA-HGDLATOJSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCc2c[nH]c3ncccc23)cccc1[N+](=O)[O-] ZINC000358351903 1030450293 /nfs/dbraw/zinc/45/02/93/1030450293.db2.gz MFVSGQTXJNMBGY-ZDUSSCGKSA-N 1 0 324.384 3.673 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358357027 1030453263 /nfs/dbraw/zinc/45/32/63/1030453263.db2.gz VTTDJXRTQULAPT-QZTJIDSGSA-N 1 0 319.449 3.898 20 5 DHBDRO C[C@]1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000824964253 1030671727 /nfs/dbraw/zinc/67/17/27/1030671727.db2.gz PJYQIDOSCXPXDN-LBPRGKRZSA-N 1 0 303.189 3.658 20 5 DHBDRO O=[N+]([O-])c1ccc(CNc2ccc3c([nH+]2)CCC3)cc1Cl ZINC000825123633 1030731295 /nfs/dbraw/zinc/73/12/95/1030731295.db2.gz AWBPFRWENVMCIY-UHFFFAOYSA-N 1 0 303.749 3.744 20 5 DHBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000825245268 1030759014 /nfs/dbraw/zinc/75/90/14/1030759014.db2.gz HKEQYSKLIWSEHD-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO COc1ccc([C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000191900813 1030865435 /nfs/dbraw/zinc/86/54/35/1030865435.db2.gz ADIAUNNRJZMLKH-GOSISDBHSA-N 1 0 312.369 3.844 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000926890863 1030971021 /nfs/dbraw/zinc/97/10/21/1030971021.db2.gz GEJBGLPZPOZUNK-VXGBXAGGSA-N 1 0 314.341 3.735 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897535903 1031020053 /nfs/dbraw/zinc/02/00/53/1031020053.db2.gz GSFDTSDUMSIKCL-BJEBXGQRSA-N 1 0 318.417 3.529 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000927025188 1031041044 /nfs/dbraw/zinc/04/10/44/1031041044.db2.gz BKHJFZORFBIHIG-AXAPSJFSSA-N 1 0 306.431 3.846 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCS1 ZINC000927028529 1031041643 /nfs/dbraw/zinc/04/16/43/1031041643.db2.gz AXPOCKXZTLMKCX-KCXAZCMYSA-N 1 0 320.458 3.790 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc3c1OCC3)CCC2 ZINC000927089760 1031080216 /nfs/dbraw/zinc/08/02/16/1031080216.db2.gz DTPQQDBIAAEYCR-SFHVURJKSA-N 1 0 324.380 3.697 20 5 DHBDRO CCc1onc(C)c1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000927139586 1031115453 /nfs/dbraw/zinc/11/54/53/1031115453.db2.gz LQCHAORHINZXJR-GFCCVEGCSA-N 1 0 317.389 3.565 20 5 DHBDRO COCC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000292875732 1031228732 /nfs/dbraw/zinc/22/87/32/1031228732.db2.gz DPOCLECGGAIEQC-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H](CC)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000360054401 1031259054 /nfs/dbraw/zinc/25/90/54/1031259054.db2.gz MRUBUMADUMXVDI-FUHWJXTLSA-N 1 0 319.449 3.900 20 5 DHBDRO C[C@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000777701851 1031357854 /nfs/dbraw/zinc/35/78/54/1031357854.db2.gz QHPPLAAUBXRLLL-LBPRGKRZSA-N 1 0 317.364 3.969 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccnc1 ZINC000872016720 1031398328 /nfs/dbraw/zinc/39/83/28/1031398328.db2.gz NWQUKTHTCYKZJE-LLVKDONJSA-N 1 0 303.387 3.563 20 5 DHBDRO CC[C@@H](CCC(F)(F)F)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000872037477 1031422115 /nfs/dbraw/zinc/42/21/15/1031422115.db2.gz BXTJCPCRAIACHM-LBPRGKRZSA-N 1 0 304.312 3.848 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000872039877 1031423619 /nfs/dbraw/zinc/42/36/19/1031423619.db2.gz IUAJOQIIABEPJL-GHMZBOCLSA-N 1 0 312.460 3.863 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccn(C)c1 ZINC000872040734 1031424999 /nfs/dbraw/zinc/42/49/99/1031424999.db2.gz MUDYRLGYFFMAKG-NSHDSACASA-N 1 0 305.403 3.506 20 5 DHBDRO COC1CCC(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872041288 1031426008 /nfs/dbraw/zinc/42/60/08/1031426008.db2.gz HCQYGFYPCXLWRI-HIFPTAJRSA-N 1 0 310.369 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccncc1 ZINC000872042704 1031429056 /nfs/dbraw/zinc/42/90/56/1031429056.db2.gz DGJALKFJBSEFFF-GFCCVEGCSA-N 1 0 317.414 3.605 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049440 1031435541 /nfs/dbraw/zinc/43/55/41/1031435541.db2.gz SSHPKZDXRLJZNZ-UWVGGRQHSA-N 1 0 302.296 3.962 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)SC ZINC000872050870 1031438869 /nfs/dbraw/zinc/43/88/69/1031438869.db2.gz DEOCVZACEPZNEB-ZJUUUORDSA-N 1 0 300.449 3.719 20 5 DHBDRO CC[C@@H](CCC(F)(F)F)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000872052990 1031441113 /nfs/dbraw/zinc/44/11/13/1031441113.db2.gz VFTBUJZQPCWBAW-LBPRGKRZSA-N 1 0 304.312 3.848 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000872053801 1031442712 /nfs/dbraw/zinc/44/27/12/1031442712.db2.gz NDVSCBAYUDLSNA-SRVKXCTJSA-N 1 0 310.419 3.535 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000536845860 1031454495 /nfs/dbraw/zinc/45/44/95/1031454495.db2.gz MGDQXWVOVYXZSP-DUVNUKRYSA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872063221 1031458230 /nfs/dbraw/zinc/45/82/30/1031458230.db2.gz VHJHZNBJWYAEBX-KOLCDFICSA-N 1 0 323.393 3.953 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000872064700 1031461189 /nfs/dbraw/zinc/46/11/89/1031461189.db2.gz KAEAUPKXILSMSW-ZOWXZIJZSA-N 1 0 324.446 3.518 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069827 1031464309 /nfs/dbraw/zinc/46/43/09/1031464309.db2.gz VMGRPWZHEORYKG-ZJUUUORDSA-N 1 0 302.296 3.820 20 5 DHBDRO COCC1(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872073104 1031469758 /nfs/dbraw/zinc/46/97/58/1031469758.db2.gz MOHRMFRMTOWMJS-LBPRGKRZSA-N 1 0 310.369 3.591 20 5 DHBDRO C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872075839 1031471767 /nfs/dbraw/zinc/47/17/67/1031471767.db2.gz GTLPAXLOUVWBQE-PRHODGIISA-N 1 0 321.179 3.968 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077892 1031475125 /nfs/dbraw/zinc/47/51/25/1031475125.db2.gz NGFLHZJBGAJIOK-VXGBXAGGSA-N 1 0 310.369 3.590 20 5 DHBDRO COC1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872080301 1031477054 /nfs/dbraw/zinc/47/70/54/1031477054.db2.gz VKOIKKQONQYINB-LKSINWNRSA-N 1 0 324.446 3.925 20 5 DHBDRO C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872083890 1031479393 /nfs/dbraw/zinc/47/93/93/1031479393.db2.gz BXCOQWATXMORPP-TVQRCGJNSA-N 1 0 302.296 3.820 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000872090263 1031487179 /nfs/dbraw/zinc/48/71/79/1031487179.db2.gz OVOPVHVZQFWTAW-NVBFEUDRSA-N 1 0 322.430 3.535 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872091164 1031488035 /nfs/dbraw/zinc/48/80/35/1031488035.db2.gz GATNDSUQMPMFDP-CHWSQXEVSA-N 1 0 322.380 3.591 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cccc1[N+](=O)[O-] ZINC000872109534 1031499904 /nfs/dbraw/zinc/49/99/04/1031499904.db2.gz OBIPEVQWKVVXBA-WSMBLCCSSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cccc1[N+](=O)[O-] ZINC000872109532 1031501068 /nfs/dbraw/zinc/50/10/68/1031501068.db2.gz OBIPEVQWKVVXBA-LOUJCGABSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1[N+](=O)[O-] ZINC000872110197 1031501334 /nfs/dbraw/zinc/50/13/34/1031501334.db2.gz WQRZUHFWINHKQD-NZUILWFCSA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129827 1031519748 /nfs/dbraw/zinc/51/97/48/1031519748.db2.gz WPUAYWSJTKLDDS-WWGRRREGSA-N 1 0 306.406 3.839 20 5 DHBDRO COCC1(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000293582138 1031525940 /nfs/dbraw/zinc/52/59/40/1031525940.db2.gz CCIGHPUJUYLXLY-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c(F)c1 ZINC000872261536 1031563769 /nfs/dbraw/zinc/56/37/69/1031563769.db2.gz HEGSJVIUYUGKHA-INIZCTEOSA-N 1 0 322.380 3.658 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c(F)c1 ZINC000872261537 1031565514 /nfs/dbraw/zinc/56/55/14/1031565514.db2.gz HEGSJVIUYUGKHA-MRXNPFEDSA-N 1 0 322.380 3.658 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000537328392 1031572541 /nfs/dbraw/zinc/57/25/41/1031572541.db2.gz AMSFHEYPOGQRTK-KRWDZBQOSA-N 1 0 314.410 3.715 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000537328400 1031572614 /nfs/dbraw/zinc/57/26/14/1031572614.db2.gz AMSFHEYPOGQRTK-QGZVFWFLSA-N 1 0 314.410 3.715 20 5 DHBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCSC1 ZINC000293690083 1031572953 /nfs/dbraw/zinc/57/29/53/1031572953.db2.gz BTKQPRHHFLFSGN-LLVKDONJSA-N 1 0 320.336 3.551 20 5 DHBDRO CC(C)([NH3+])CNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001171192964 1031636086 /nfs/dbraw/zinc/63/60/86/1031636086.db2.gz PSZJYBQKHJIHNS-UHFFFAOYSA-N 1 0 317.414 3.895 20 5 DHBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000124329282 1031685653 /nfs/dbraw/zinc/68/56/53/1031685653.db2.gz PBUPSEWFJSMJNQ-NSHDSACASA-N 1 0 302.827 3.822 20 5 DHBDRO COCc1ccccc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873008840 1031690623 /nfs/dbraw/zinc/69/06/23/1031690623.db2.gz QCFDRGBRGZFVBS-UHFFFAOYSA-N 1 0 314.385 3.648 20 5 DHBDRO COCCC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCC1 ZINC000873077624 1031705310 /nfs/dbraw/zinc/70/53/10/1031705310.db2.gz BUJCHPMXCZOQEP-UHFFFAOYSA-N 1 0 306.406 3.508 20 5 DHBDRO Cc1c(C[NH2+]C2CCC(OC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000873129915 1031719897 /nfs/dbraw/zinc/71/98/97/1031719897.db2.gz UFAUNXQWXIOFOA-UHFFFAOYSA-N 1 0 314.332 3.543 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000873131380 1031720146 /nfs/dbraw/zinc/72/01/46/1031720146.db2.gz OQFXMMBNODXLGB-OAHLLOKOSA-N 1 0 318.417 3.651 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000873149943 1031724434 /nfs/dbraw/zinc/72/44/34/1031724434.db2.gz VYEXYBGNNZKOFK-HNNXBMFYSA-N 1 0 318.417 3.508 20 5 DHBDRO COc1ccc(F)c(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873140492 1031724851 /nfs/dbraw/zinc/72/48/51/1031724851.db2.gz PNFFUFZSRBVIAG-UHFFFAOYSA-N 1 0 318.348 3.649 20 5 DHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000561133458 1031742253 /nfs/dbraw/zinc/74/22/53/1031742253.db2.gz PHUUZWAUXIILME-HZSPNIEDSA-N 1 0 321.396 3.576 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000873195148 1031752250 /nfs/dbraw/zinc/75/22/50/1031752250.db2.gz YFLNDXKCLVLIDY-SJLPKXTDSA-N 1 0 314.385 3.505 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000476231305 1031772136 /nfs/dbraw/zinc/77/21/36/1031772136.db2.gz LJYKFCANXPXFEL-OAHLLOKOSA-N 1 0 312.369 3.593 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCC4(CC4)C3)nc2c1 ZINC000897772054 1031823323 /nfs/dbraw/zinc/82/33/23/1031823323.db2.gz LCJBLYSRONUHSZ-NSHDSACASA-N 1 0 301.346 3.548 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1 ZINC000846101917 1031874055 /nfs/dbraw/zinc/87/40/55/1031874055.db2.gz IDTDAOBPQJSXHL-NSHDSACASA-N 1 0 303.189 3.658 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1cccnc1 ZINC000897966777 1031900155 /nfs/dbraw/zinc/90/01/55/1031900155.db2.gz GTCHVRTZBSAJCC-GJZGRUSLSA-N 1 0 313.401 3.532 20 5 DHBDRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000930637181 1031900571 /nfs/dbraw/zinc/90/05/71/1031900571.db2.gz KHTNQHXMJIYTCA-CQSZACIVSA-N 1 0 315.373 3.525 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000846187715 1031922133 /nfs/dbraw/zinc/92/21/33/1031922133.db2.gz KVNOHUMTYDHJAH-SUNYJGFJSA-N 1 0 314.385 3.542 20 5 DHBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[C@@H](C)C1 ZINC000361639569 1032027650 /nfs/dbraw/zinc/02/76/50/1032027650.db2.gz PIDQTGAZIPKYDX-CJNGLKHVSA-N 1 0 306.406 3.540 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000136683058 1033313338 /nfs/dbraw/zinc/31/33/38/1033313338.db2.gz PPQONYVMGMBWJG-YERXGYGTSA-N 1 0 316.401 3.689 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000136683017 1033313358 /nfs/dbraw/zinc/31/33/58/1033313358.db2.gz PPQONYVMGMBWJG-BIENSFFJSA-N 1 0 316.401 3.689 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000877604051 1033377655 /nfs/dbraw/zinc/37/76/55/1033377655.db2.gz HELOJZBUYPBKRS-INIZCTEOSA-N 1 0 311.385 3.596 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927041418 1033421355 /nfs/dbraw/zinc/42/13/55/1033421355.db2.gz YBBUEASLYZLCOB-YPMHNXCESA-N 1 0 321.446 3.646 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cscn1 ZINC001172898748 1033434640 /nfs/dbraw/zinc/43/46/40/1033434640.db2.gz IYSKYKSWQQPUHK-BXUZGUMPSA-N 1 0 317.414 3.650 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)CC2 ZINC001172897184 1033434945 /nfs/dbraw/zinc/43/49/45/1033434945.db2.gz XXAIAGXDKVGXNQ-SWLSCSKDSA-N 1 0 324.371 3.867 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1Cc3ccccc3C1)CC2 ZINC001172897327 1033435565 /nfs/dbraw/zinc/43/55/65/1033435565.db2.gz ZGLPLBCOKGRMEZ-SFHVURJKSA-N 1 0 322.408 3.599 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCc3ncccc31)CC2 ZINC001172902705 1033437040 /nfs/dbraw/zinc/43/70/40/1033437040.db2.gz LUPXSWBPTXZGHK-BEFAXECRSA-N 1 0 323.396 3.514 20 5 DHBDRO C[C@]1(F)CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1F ZINC001172905813 1033437705 /nfs/dbraw/zinc/43/77/05/1033437705.db2.gz UUHYVNNSNZLTPG-OIISXLGYSA-N 1 0 324.371 3.614 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCCC[C@@H](F)C1)CC2 ZINC001172907130 1033439423 /nfs/dbraw/zinc/43/94/23/1033439423.db2.gz DIJVDOPQBFAKEO-HZPDHXFCSA-N 1 0 306.381 3.666 20 5 DHBDRO C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1F ZINC001172907467 1033440157 /nfs/dbraw/zinc/44/01/57/1033440157.db2.gz FGHGFYTVXVOZCM-ISTRZQFTSA-N 1 0 306.381 3.522 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC(C(F)F)CC1)CC2 ZINC001172916822 1033464402 /nfs/dbraw/zinc/46/44/02/1033464402.db2.gz UCUKDBAKPASSNQ-HNNXBMFYSA-N 1 0 324.371 3.819 20 5 DHBDRO CC1(C)CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172914228 1033464531 /nfs/dbraw/zinc/46/45/31/1033464531.db2.gz FGEVQKYJTOTJJK-INIZCTEOSA-N 1 0 302.418 3.964 20 5 DHBDRO CCC1([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCC1 ZINC001173181103 1033581066 /nfs/dbraw/zinc/58/10/66/1033581066.db2.gz NWJLDRWKWZKAPC-NSHDSACASA-N 1 0 310.369 3.596 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[C@@H](C)CC2)c1F ZINC001173181492 1033581148 /nfs/dbraw/zinc/58/11/48/1033581148.db2.gz DXXVGQUHFPSNKO-RWMBFGLXSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1F ZINC001173185031 1033583252 /nfs/dbraw/zinc/58/32/52/1033583252.db2.gz UXUMZFTWWQOZGA-OUCADQQQSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C)C[C@@H]2C)c1F ZINC001173189889 1033585058 /nfs/dbraw/zinc/58/50/58/1033585058.db2.gz OICIJNPSJOJHKY-AGIUHOORSA-N 1 0 324.396 3.794 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c1F ZINC001173187510 1033585255 /nfs/dbraw/zinc/58/52/55/1033585255.db2.gz DXXVGQUHFPSNKO-JHJVBQTASA-N 1 0 324.396 3.842 20 5 DHBDRO C[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000478845581 1033594185 /nfs/dbraw/zinc/59/41/85/1033594185.db2.gz OGUKNMZUFQBGFE-JQWIXIFHSA-N 1 0 314.332 3.865 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ncccc2c1 ZINC001173214918 1033595449 /nfs/dbraw/zinc/59/54/49/1033595449.db2.gz ROSAAFDWQBKSPQ-AWEZNQCLSA-N 1 0 321.380 3.864 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ncccc1C ZINC001173215369 1033597205 /nfs/dbraw/zinc/59/72/05/1033597205.db2.gz VNRFJLMVZSNLMS-WMLDXEAASA-N 1 0 313.401 3.970 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1Cl ZINC001173217321 1033597240 /nfs/dbraw/zinc/59/72/40/1033597240.db2.gz TVGIVNSDTBAWRO-GFCCVEGCSA-N 1 0 304.777 3.969 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001173217931 1033597855 /nfs/dbraw/zinc/59/78/55/1033597855.db2.gz HVSZHEMLPBJQTA-ZDUSSCGKSA-N 1 0 320.433 3.852 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001173218596 1033599845 /nfs/dbraw/zinc/59/98/45/1033599845.db2.gz KUADYRICLKLFNC-UYHISHBKSA-N 1 0 314.360 3.811 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1cccnc1)C1CC1 ZINC001173220098 1033600587 /nfs/dbraw/zinc/60/05/87/1033600587.db2.gz TYUZTSDYEFGVSF-UGSOOPFHSA-N 1 0 311.385 3.662 20 5 DHBDRO CC(C)CC1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001173223689 1033603212 /nfs/dbraw/zinc/60/32/12/1033603212.db2.gz KWYWYWXCTMSNRX-OAHLLOKOSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001173223128 1033603929 /nfs/dbraw/zinc/60/39/29/1033603929.db2.gz YHJZPTRRBFUQLA-LNSITVRQSA-N 1 0 310.344 3.503 20 5 DHBDRO C[C@@H]([NH3+])c1nc2ccccc2n1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173211415 1033613602 /nfs/dbraw/zinc/61/36/02/1033613602.db2.gz RUPNHXLHBLATFY-QWHCGFSZSA-N 1 0 324.384 3.768 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)c(F)c1F ZINC001173212599 1033614664 /nfs/dbraw/zinc/61/46/64/1033614664.db2.gz BIFWELAWBIKSEV-JTQLQIEISA-N 1 0 324.302 3.733 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)cc(F)c1F ZINC001173213514 1033614783 /nfs/dbraw/zinc/61/47/83/1033614783.db2.gz IDKUNDNFHRRECM-JTQLQIEISA-N 1 0 324.302 3.733 20 5 DHBDRO Cc1nc([C@@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001173213116 1033614834 /nfs/dbraw/zinc/61/48/34/1033614834.db2.gz FJYIYXAYKZMLIS-WDEREUQCSA-N 1 0 305.403 3.642 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC(F)(F)CC1 ZINC001173214600 1033615890 /nfs/dbraw/zinc/61/58/90/1033615890.db2.gz PSRSCGVIVBILMB-LBPRGKRZSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c(C[NH3+])cc2ccccc21 ZINC001173214792 1033616861 /nfs/dbraw/zinc/61/68/61/1033616861.db2.gz QGHSCKIFFLYGEV-ZDUSSCGKSA-N 1 0 309.369 3.812 20 5 DHBDRO CC[C@H](C)[NH2+][C@@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000553264956 1033642474 /nfs/dbraw/zinc/64/24/74/1033642474.db2.gz WABRSGAKGVXMAC-JSGCOSHPSA-N 1 0 303.362 3.729 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000878371696 1033679089 /nfs/dbraw/zinc/67/90/89/1033679089.db2.gz OKZKMULQQUTGOF-ZFWWWQNUSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1c(F)nccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000862285379 1033809817 /nfs/dbraw/zinc/80/98/17/1033809817.db2.gz KNOPTZNNJGRGDH-UHFFFAOYSA-N 1 0 317.364 3.550 20 5 DHBDRO CCC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OCC ZINC000862434763 1033850022 /nfs/dbraw/zinc/85/00/22/1033850022.db2.gz GOAZVPZAJPISIA-LBPRGKRZSA-N 1 0 300.786 3.543 20 5 DHBDRO COC1(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000339059478 1034142393 /nfs/dbraw/zinc/14/23/93/1034142393.db2.gz LCKKCCFXNBFLQJ-UHFFFAOYSA-N 1 0 304.390 3.518 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)cccc1[N+](=O)[O-] ZINC000178550138 1034246337 /nfs/dbraw/zinc/24/63/37/1034246337.db2.gz GDCQKYVVJQEOJL-KBPBESRZSA-N 1 0 314.385 3.807 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000178649161 1034255122 /nfs/dbraw/zinc/25/51/22/1034255122.db2.gz WVPNZKQWIJNVES-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[NH+](C)Cc1ccc(NCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000864034285 1034269553 /nfs/dbraw/zinc/26/95/53/1034269553.db2.gz CAHAAVPGNVHNAF-UHFFFAOYSA-N 1 0 319.792 3.922 20 5 DHBDRO Cc1ccc(C[NH+](C)C)cc1NCc1cccc([N+](=O)[O-])c1C ZINC000864037289 1034270630 /nfs/dbraw/zinc/27/06/30/1034270630.db2.gz ZRWXXWXNYZICEB-UHFFFAOYSA-N 1 0 313.401 3.885 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880318360 1034295801 /nfs/dbraw/zinc/29/58/01/1034295801.db2.gz YCVSEPOFYWYQKR-VXGBXAGGSA-N 1 0 303.387 3.602 20 5 DHBDRO CN1C[C@@H]([NH2+]Cc2c3ccccc3cc3ccccc32)CCC1=O ZINC000119907402 1034302269 /nfs/dbraw/zinc/30/22/69/1034302269.db2.gz ZFHGLMWHXTWYLD-KRWDZBQOSA-N 1 0 318.420 3.703 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000183267297 1034369361 /nfs/dbraw/zinc/36/93/61/1034369361.db2.gz QVBFFEDAQHNDFI-SJWGOKEGSA-N 1 0 316.401 3.593 20 5 DHBDRO Cc1cc(F)ccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554849113 1034374092 /nfs/dbraw/zinc/37/40/92/1034374092.db2.gz VJAFCPJRBRLBEN-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000183983689 1034433005 /nfs/dbraw/zinc/43/30/05/1034433005.db2.gz JICXQVKTSKFMHL-GOEBONIOSA-N 1 0 306.406 3.903 20 5 DHBDRO CC[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183988452 1034436627 /nfs/dbraw/zinc/43/66/27/1034436627.db2.gz GKDSHCDYJIWBAI-SJORKVTESA-N 1 0 306.406 3.985 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)COc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000481041127 1034565366 /nfs/dbraw/zinc/56/53/66/1034565366.db2.gz TYFROHYFLMPMJW-QWHCGFSZSA-N 1 0 318.348 3.852 20 5 DHBDRO COCCC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000600190045 1034794265 /nfs/dbraw/zinc/79/42/65/1034794265.db2.gz ROOWJGORCPSGFT-QINSGFPZSA-N 1 0 318.417 3.747 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(Cc2ccco2)C1 ZINC000600197667 1034804763 /nfs/dbraw/zinc/80/47/63/1034804763.db2.gz OSTCAFYDPHCVRI-RIYZIHGNSA-N 1 0 312.369 3.766 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600214152 1034807661 /nfs/dbraw/zinc/80/76/61/1034807661.db2.gz LGDUQVKTYBYEDM-MRXNPFEDSA-N 1 0 312.369 3.598 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]3OCC[C@@H]31)CCC2 ZINC000192961558 1034823485 /nfs/dbraw/zinc/82/34/85/1034823485.db2.gz MQJPASGFRNQEKP-BZZMCLGOSA-N 1 0 316.401 3.519 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000481677694 1034930067 /nfs/dbraw/zinc/93/00/67/1034930067.db2.gz PXJIDYRTUZZSTA-IBGZPJMESA-N 1 0 324.380 3.616 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000481976071 1035039901 /nfs/dbraw/zinc/03/99/01/1035039901.db2.gz XROYFRFTWWSINV-HOTGVXAUSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000481976594 1035040124 /nfs/dbraw/zinc/04/01/24/1035040124.db2.gz ZYVGDHXZXASOHM-HOCLYGCPSA-N 1 0 319.449 3.674 20 5 DHBDRO CCC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000159415501 1035048701 /nfs/dbraw/zinc/04/87/01/1035048701.db2.gz XBBVIKNCTJDYSX-UHFFFAOYSA-N 1 0 313.195 3.732 20 5 DHBDRO CSCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237508887 1035087020 /nfs/dbraw/zinc/08/70/20/1035087020.db2.gz YVHCYLYYDIIKNW-UHFFFAOYSA-N 1 0 308.428 3.776 20 5 DHBDRO CC(C)[N@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000159888663 1035105851 /nfs/dbraw/zinc/10/58/51/1035105851.db2.gz FOIRJHHLZJGEPA-UHFFFAOYSA-N 1 0 305.403 3.504 20 5 DHBDRO C[N@@H+]1CCc2ccc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cc2C1 ZINC001175905397 1035157253 /nfs/dbraw/zinc/15/72/53/1035157253.db2.gz NPPQJSQNUJZNSH-DHZHZOJOSA-N 1 0 309.369 3.666 20 5 DHBDRO C[NH+](C)CCc1ccc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 ZINC001175907920 1035157953 /nfs/dbraw/zinc/15/79/53/1035157953.db2.gz VRAXNVNNVJBPHK-WYMLVPIESA-N 1 0 311.385 3.782 20 5 DHBDRO CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482941706 1035203019 /nfs/dbraw/zinc/20/30/19/1035203019.db2.gz AKGVETSGRMDNTD-HOTGVXAUSA-N 1 0 319.449 3.818 20 5 DHBDRO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000483422673 1035268779 /nfs/dbraw/zinc/26/87/79/1035268779.db2.gz YBFHSKZARULJME-NDOICKTLSA-N 1 0 318.417 3.745 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000483624634 1035284546 /nfs/dbraw/zinc/28/45/46/1035284546.db2.gz LMMZZFDXOZFMTK-STQMWFEESA-N 1 0 318.348 3.852 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000483856314 1035307150 /nfs/dbraw/zinc/30/71/50/1035307150.db2.gz YKXIFYCMZNKXRP-CYBMUJFWSA-N 1 0 322.405 3.676 20 5 DHBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@@H+]1C ZINC000484640044 1035378909 /nfs/dbraw/zinc/37/89/09/1035378909.db2.gz PSFBRWVDQKPAAU-TZMCWYRMSA-N 1 0 321.421 3.667 20 5 DHBDRO COC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCCCC1 ZINC001178523920 1035433493 /nfs/dbraw/zinc/43/34/93/1035433493.db2.gz CADRAAMEJZTSML-UHFFFAOYSA-N 1 0 306.406 3.651 20 5 DHBDRO C[C@]1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCS1 ZINC001179909457 1035547485 /nfs/dbraw/zinc/54/74/85/1035547485.db2.gz MLAABHPTXBSQPI-MRXNPFEDSA-N 1 0 306.431 3.845 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC001180098011 1035597353 /nfs/dbraw/zinc/59/73/53/1035597353.db2.gz JAGFLMJGWKYIBQ-MRXNPFEDSA-N 1 0 319.449 3.518 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@]2(O)CCCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC001203362596 1035673313 /nfs/dbraw/zinc/67/33/13/1035673313.db2.gz DKIJELYCWHCBKT-SFHVURJKSA-N 1 0 320.433 3.714 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000386170134 1035722841 /nfs/dbraw/zinc/72/28/41/1035722841.db2.gz MOBXXJOMZMBBDU-MSOLQXFVSA-N 1 0 320.433 3.967 20 5 DHBDRO C[C@H](C1CCCCC1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001193808517 1035741929 /nfs/dbraw/zinc/74/19/29/1035741929.db2.gz VIHJZKQZRHQZRP-CQSZACIVSA-N 1 0 306.406 3.874 20 5 DHBDRO C[C@@H]1[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000494631808 1035748593 /nfs/dbraw/zinc/74/85/93/1035748593.db2.gz CGYYPZQCGLBZSZ-LBPRGKRZSA-N 1 0 324.808 3.639 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000539508637 1035762012 /nfs/dbraw/zinc/76/20/12/1035762012.db2.gz XFGQRTCUVZDOCG-GJZGRUSLSA-N 1 0 320.433 3.743 20 5 DHBDRO C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000089904020 1035785869 /nfs/dbraw/zinc/78/58/69/1035785869.db2.gz IJNBQLTZYIPSSE-CHWSQXEVSA-N 1 0 315.373 3.870 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000539849013 1035902548 /nfs/dbraw/zinc/90/25/48/1035902548.db2.gz HNQOABOSYNHDBL-ZBFHGGJFSA-N 1 0 306.431 3.763 20 5 DHBDRO COc1c(O)ccc(C[N@H+](C)[C@@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC001181410193 1035915895 /nfs/dbraw/zinc/91/58/95/1035915895.db2.gz JORHLPCTHIAYEO-LBPRGKRZSA-N 1 0 322.405 3.710 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000595095272 1035926311 /nfs/dbraw/zinc/92/63/11/1035926311.db2.gz VITPTGGTHATUSV-TVQRCGJNSA-N 1 0 314.332 3.545 20 5 DHBDRO CCOc1cc(C[NH2+][C@@H]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC001194579819 1035966136 /nfs/dbraw/zinc/96/61/36/1035966136.db2.gz UHXLXRKYZFNWLH-PESDSKBTSA-N 1 0 304.390 3.662 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000485787494 1035967733 /nfs/dbraw/zinc/96/77/33/1035967733.db2.gz CZKYTYQCTJODDQ-HNNXBMFYSA-N 1 0 304.390 3.758 20 5 DHBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540221641 1036018572 /nfs/dbraw/zinc/01/85/72/1036018572.db2.gz VDHRJWWGIQZTJR-TZMCWYRMSA-N 1 0 320.414 3.657 20 5 DHBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000443344501 1036085099 /nfs/dbraw/zinc/08/50/99/1036085099.db2.gz LDMDUVBGZKCGQC-UHFFFAOYSA-N 1 0 318.417 3.561 20 5 DHBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC001195094602 1036134271 /nfs/dbraw/zinc/13/42/71/1036134271.db2.gz SUOWSBNTBNMSOC-UHFFFAOYSA-N 1 0 306.406 3.874 20 5 DHBDRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774114997 1036158056 /nfs/dbraw/zinc/15/80/56/1036158056.db2.gz JFFXGUSHSXKJCA-SJKOYZFVSA-N 1 0 300.358 3.786 20 5 DHBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000443407666 1036160747 /nfs/dbraw/zinc/16/07/47/1036160747.db2.gz FEDUTWRZGVOYGK-UHFFFAOYSA-N 1 0 324.450 3.652 20 5 DHBDRO Cc1c(C[N@@H+](C)C2CC(OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001195267975 1036198750 /nfs/dbraw/zinc/19/87/50/1036198750.db2.gz BOWGOOZRBQDPHX-UHFFFAOYSA-N 1 0 306.406 3.681 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000541571671 1036368516 /nfs/dbraw/zinc/36/85/16/1036368516.db2.gz SJFBPCYSUXDHRP-SNVBAGLBSA-N 1 0 324.302 3.905 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccccc1)C1CC1 ZINC000153024592 1036413694 /nfs/dbraw/zinc/41/36/94/1036413694.db2.gz BPRIWYVJHHZHAW-GOSISDBHSA-N 1 0 310.397 3.748 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000464782363 1036455272 /nfs/dbraw/zinc/45/52/72/1036455272.db2.gz YLYJJKHJEXRBGA-GOEBONIOSA-N 1 0 324.446 3.580 20 5 DHBDRO COc1ccccc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000271748062 1036511692 /nfs/dbraw/zinc/51/16/92/1036511692.db2.gz XZYKXPVHHSQWOS-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000271833994 1036563174 /nfs/dbraw/zinc/56/31/74/1036563174.db2.gz RPAQTZUYBGRALC-JFOHDYCDSA-N 1 0 316.401 3.511 20 5 DHBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000495407656 1036620998 /nfs/dbraw/zinc/62/09/98/1036620998.db2.gz JIRUWDBDGHTEFT-LSDHHAIUSA-N 1 0 314.385 3.755 20 5 DHBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1C)CCC(F)(F)F ZINC000491822756 1036644857 /nfs/dbraw/zinc/64/48/57/1036644857.db2.gz XQXNUMOCWOCCSF-UHFFFAOYSA-N 1 0 319.327 3.589 20 5 DHBDRO CC(C)(C)[C@H]1CSCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001197295088 1036742038 /nfs/dbraw/zinc/74/20/38/1036742038.db2.gz CYUZQCLEPYKAEY-CQSZACIVSA-N 1 0 312.410 3.697 20 5 DHBDRO C[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])CC1CCOCC1 ZINC000492192743 1036783681 /nfs/dbraw/zinc/78/36/81/1036783681.db2.gz JBAMFKDIWJUSGD-CQSZACIVSA-N 1 0 320.433 3.872 20 5 DHBDRO CC[C@@H]1C[C@@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000492193279 1036784074 /nfs/dbraw/zinc/78/40/74/1036784074.db2.gz NWTPEWOQVSVOQD-UONOGXRCSA-N 1 0 306.406 3.625 20 5 DHBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCC[C@H]1C ZINC000487967835 1036885312 /nfs/dbraw/zinc/88/53/12/1036885312.db2.gz CAWMKWPJMPMOCK-CJNGLKHVSA-N 1 0 306.406 3.540 20 5 DHBDRO CCOc1cc(C[N@H+](C)[C@H](CC)CSC)ccc1[N+](=O)[O-] ZINC000492723877 1036988418 /nfs/dbraw/zinc/98/84/18/1036988418.db2.gz RHZOAZPNGFITFD-CYBMUJFWSA-N 1 0 312.435 3.567 20 5 DHBDRO C[C@@H](CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC001185230303 1037073181 /nfs/dbraw/zinc/07/31/81/1037073181.db2.gz BRUPEIDDAKNEHV-VIFPVBQESA-N 1 0 317.311 3.508 20 5 DHBDRO CCC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774902336 1037192220 /nfs/dbraw/zinc/19/22/20/1037192220.db2.gz DYSUZZCMCMJIAU-LBPRGKRZSA-N 1 0 307.350 3.515 20 5 DHBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000489066299 1037258816 /nfs/dbraw/zinc/25/88/16/1037258816.db2.gz CDPOQMHQZWEIIL-CYBMUJFWSA-N 1 0 302.349 3.797 20 5 DHBDRO Cc1cc(NCC[C@@H](C)[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001186080213 1037304009 /nfs/dbraw/zinc/30/40/09/1037304009.db2.gz ZBYPUZVWVHTPQK-CYBMUJFWSA-N 1 0 309.385 3.719 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000193903072 1037307068 /nfs/dbraw/zinc/30/70/68/1037307068.db2.gz IAWIKFPDNVXOPF-TXEJJXNPSA-N 1 0 315.329 3.915 20 5 DHBDRO COc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761509968 1037336364 /nfs/dbraw/zinc/33/63/64/1037336364.db2.gz FKULWHJAJPVKGH-UHFFFAOYSA-N 1 0 320.776 3.889 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)cc1Cl ZINC000761526508 1037347721 /nfs/dbraw/zinc/34/77/21/1037347721.db2.gz NXRBTNDHBIZLTJ-GOEBONIOSA-N 1 0 316.788 3.969 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1NCCCCC[NH+]1CCCC1 ZINC001186550334 1037448344 /nfs/dbraw/zinc/44/83/44/1037448344.db2.gz IUIORIQZJHUVLT-UHFFFAOYSA-N 1 0 311.813 3.926 20 5 DHBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC12CCC2 ZINC000775054961 1037523963 /nfs/dbraw/zinc/52/39/63/1037523963.db2.gz DAQDDCLWOFZEKP-LBPRGKRZSA-N 1 0 319.361 3.515 20 5 DHBDRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000151030249 1037693708 /nfs/dbraw/zinc/69/37/08/1037693708.db2.gz QZSCZBLISMPRMM-PIGZYNQJSA-N 1 0 300.333 3.757 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000763414209 1037833405 /nfs/dbraw/zinc/83/34/05/1037833405.db2.gz YFLNSBZCYUOTKV-DVOMOZLQSA-N 1 0 318.373 3.659 20 5 DHBDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491194047 1037936782 /nfs/dbraw/zinc/93/67/82/1037936782.db2.gz IQBPIISVFNAJKA-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO Cc1nc2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000494340164 1038049058 /nfs/dbraw/zinc/04/90/58/1038049058.db2.gz RSCAPMBLXAEORU-UHFFFAOYSA-N 1 0 313.382 3.803 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000917007015 1038114868 /nfs/dbraw/zinc/11/48/68/1038114868.db2.gz VXRVHQWERNRISC-QGZVFWFLSA-N 1 0 314.360 3.941 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000572015837 1038320023 /nfs/dbraw/zinc/32/00/23/1038320023.db2.gz QIEYYSWYXVWAKY-BBRMVZONSA-N 1 0 316.401 3.521 20 5 DHBDRO CC(C)=CCC[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572632261 1038492248 /nfs/dbraw/zinc/49/22/48/1038492248.db2.gz WNLDTAZGVYJOHN-CQSZACIVSA-N 1 0 319.405 3.648 20 5 DHBDRO C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1(F)F ZINC000572767934 1038504780 /nfs/dbraw/zinc/50/47/80/1038504780.db2.gz ZLXUWXHGXJXXFO-SECBINFHSA-N 1 0 304.724 3.725 20 5 DHBDRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984991 1038652843 /nfs/dbraw/zinc/65/28/43/1038652843.db2.gz UTWLJFHLCPJBKU-LRDDRELGSA-N 1 0 300.358 3.786 20 5 DHBDRO C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757328 1038700107 /nfs/dbraw/zinc/70/01/07/1038700107.db2.gz PXFPTEAHWGEMIS-PBHICJAKSA-N 1 0 311.385 3.930 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000775550222 1038703674 /nfs/dbraw/zinc/70/36/74/1038703674.db2.gz VYTHDEJSCZTCRU-KOLCDFICSA-N 1 0 303.189 3.748 20 5 DHBDRO COc1ccc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000598997153 1038989830 /nfs/dbraw/zinc/98/98/30/1038989830.db2.gz YARRQKAPEKNTDC-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(C(F)(F)F)CCCC2)c1 ZINC000599014134 1038998336 /nfs/dbraw/zinc/99/83/36/1038998336.db2.gz PDAJAVJPUPBYTB-UHFFFAOYSA-N 1 0 302.296 3.807 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CC2(CCC2)C1)C1CC1 ZINC000593720429 1039108731 /nfs/dbraw/zinc/10/87/31/1039108731.db2.gz KXOMJTMRFDYSFH-MRXNPFEDSA-N 1 0 300.402 3.838 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C2(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000593725864 1039115959 /nfs/dbraw/zinc/11/59/59/1039115959.db2.gz ZMUUCNHBTDCOGH-GFCCVEGCSA-N 1 0 304.390 3.977 20 5 DHBDRO CC(C)C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000592387465 1039187612 /nfs/dbraw/zinc/18/76/12/1039187612.db2.gz GSOKATZHRVMFSR-KRWDZBQOSA-N 1 0 313.401 3.909 20 5 DHBDRO C[C@H](c1ccccc1F)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000603855082 1039188228 /nfs/dbraw/zinc/18/82/28/1039188228.db2.gz AYOSFFFIIFWSHB-CYBMUJFWSA-N 1 0 318.348 3.806 20 5 DHBDRO COc1cc(C[N@@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])cc1F ZINC000599673527 1039252905 /nfs/dbraw/zinc/25/29/05/1039252905.db2.gz SBSDMBMPGNBQMV-UHFFFAOYSA-N 1 0 308.353 3.509 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000604012864 1039281847 /nfs/dbraw/zinc/28/18/47/1039281847.db2.gz BRCSISJUIHWVNS-HNNXBMFYSA-N 1 0 304.390 3.628 20 5 DHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])s2)C1 ZINC000604409264 1039457829 /nfs/dbraw/zinc/45/78/29/1039457829.db2.gz LNHQNTFKDCLEIR-CHWSQXEVSA-N 1 0 311.451 3.826 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000592401489 1039459974 /nfs/dbraw/zinc/45/99/74/1039459974.db2.gz XOTHHXFOEYMOOJ-LOWVWBTDSA-N 1 0 310.419 3.538 20 5 DHBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000604492909 1039485646 /nfs/dbraw/zinc/48/56/46/1039485646.db2.gz UJUDWJAJNFWZRU-UHFFFAOYSA-N 1 0 321.421 3.600 20 5 DHBDRO COC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000594502868 1039804794 /nfs/dbraw/zinc/80/47/94/1039804794.db2.gz RVJTZKRYJBXZJD-IAGOWNOFSA-N 1 0 312.369 3.559 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594510347 1039812928 /nfs/dbraw/zinc/81/29/28/1039812928.db2.gz IUTSKECIYOJYTI-VHSSKADRSA-N 1 0 318.417 3.902 20 5 DHBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594516698 1039819513 /nfs/dbraw/zinc/81/95/13/1039819513.db2.gz DIDUNRZGPVTLJQ-AONXAHLYSA-N 1 0 304.390 3.544 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594516858 1039819562 /nfs/dbraw/zinc/81/95/62/1039819562.db2.gz GRTVVOLISWSQBJ-YQQAZPJKSA-N 1 0 304.390 3.519 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594520846 1039830909 /nfs/dbraw/zinc/83/09/09/1039830909.db2.gz QBQMQWLQIBLRTD-QRTARXTBSA-N 1 0 306.406 3.902 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026273 1039950898 /nfs/dbraw/zinc/95/08/98/1039950898.db2.gz HYUUKDDALPPGGR-CXAGYDPISA-N 1 0 304.390 3.689 20 5 DHBDRO CCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000594936248 1039955192 /nfs/dbraw/zinc/95/51/92/1039955192.db2.gz ACSWCOPIWCFNPL-UHFFFAOYSA-N 1 0 314.385 3.900 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000594957906 1039962684 /nfs/dbraw/zinc/96/26/84/1039962684.db2.gz WTOLUYWZKJSSOY-CRPZLVSXSA-N 1 0 318.417 3.793 20 5 DHBDRO COC1CC(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000594959360 1039965656 /nfs/dbraw/zinc/96/56/56/1039965656.db2.gz CNNCMDKQGJSKFP-UHFFFAOYSA-N 1 0 306.406 3.623 20 5 DHBDRO CCOC1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000595025497 1039992899 /nfs/dbraw/zinc/99/28/99/1039992899.db2.gz IJMHHDATFKFYGC-JEYLPNPQSA-N 1 0 306.406 3.902 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CSCCF)cc1[N+](=O)[O-] ZINC000595025109 1039993842 /nfs/dbraw/zinc/99/38/42/1039993842.db2.gz GKYGDLBEMOBFIB-RYUDHWBXSA-N 1 0 300.399 3.645 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000594995022 1040009152 /nfs/dbraw/zinc/00/91/52/1040009152.db2.gz JVSMAVBKMWUVLB-AWEZNQCLSA-N 1 0 306.406 3.623 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594041521 1040011418 /nfs/dbraw/zinc/01/14/18/1040011418.db2.gz DYQZKULXDAXBBR-UKRRQHHQSA-N 1 0 312.797 3.686 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCCSCC1 ZINC000595035557 1040041434 /nfs/dbraw/zinc/04/14/34/1040041434.db2.gz WZECJPWAXDBHRE-CYBMUJFWSA-N 1 0 314.838 3.666 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(OC)CCCCC1 ZINC000595032776 1040041454 /nfs/dbraw/zinc/04/14/54/1040041454.db2.gz MIRNQXIMTONJON-CYBMUJFWSA-N 1 0 322.405 3.603 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595052819 1040054508 /nfs/dbraw/zinc/05/45/08/1040054508.db2.gz AOJXKVNSXFKLEO-HOTGVXAUSA-N 1 0 305.422 3.508 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000595052941 1040055334 /nfs/dbraw/zinc/05/53/34/1040055334.db2.gz UAYZAXITRBNEIK-SNVBAGLBSA-N 1 0 314.332 3.689 20 5 DHBDRO CC[C@H]([NH2+][C@H](c1ccccc1)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595102478 1040067038 /nfs/dbraw/zinc/06/70/38/1040067038.db2.gz INKCWYHGIWPJKC-KKXDTOCCSA-N 1 0 314.385 3.758 20 5 DHBDRO C[C@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(F)F ZINC000595078538 1040072356 /nfs/dbraw/zinc/07/23/56/1040072356.db2.gz DSABELUCFOJKAD-UKRRQHHQSA-N 1 0 310.344 3.551 20 5 DHBDRO C[C@@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595079014 1040073291 /nfs/dbraw/zinc/07/32/91/1040073291.db2.gz BZDKFUMWJVUDIR-ZBFHGGJFSA-N 1 0 317.433 3.652 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CCC(O)CC1)CCCC2 ZINC000595090681 1040075741 /nfs/dbraw/zinc/07/57/41/1040075741.db2.gz DCTVODVHSQUGRR-AUCFXJAVSA-N 1 0 318.417 3.503 20 5 DHBDRO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000595081934 1040076690 /nfs/dbraw/zinc/07/66/90/1040076690.db2.gz UXUBSMLEVLTOEZ-XNRPHZJLSA-N 1 0 324.371 3.941 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCc1ccco1)CCC2 ZINC000595094015 1040077851 /nfs/dbraw/zinc/07/78/51/1040077851.db2.gz RYDXAJSWMIGDRF-KRWDZBQOSA-N 1 0 300.358 3.788 20 5 DHBDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595377399 1040127515 /nfs/dbraw/zinc/12/75/15/1040127515.db2.gz NHUBLGDQQIJJGT-LLVKDONJSA-N 1 0 300.399 3.697 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595409251 1040130197 /nfs/dbraw/zinc/13/01/97/1040130197.db2.gz COHXHBXRTIDION-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595446961 1040141817 /nfs/dbraw/zinc/14/18/17/1040141817.db2.gz FNVNGYBRUQXHDT-NSHDSACASA-N 1 0 308.275 3.801 20 5 DHBDRO Cc1noc(C[N@H+]2C[C@H](c3ccc(C)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595479629 1040149428 /nfs/dbraw/zinc/14/94/28/1040149428.db2.gz GAVFXZPOIFXNLC-SWLSCSKDSA-N 1 0 315.373 3.578 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595787539 1040255686 /nfs/dbraw/zinc/25/56/86/1040255686.db2.gz JRLNHUMXEHCXGW-KSSFIOAISA-N 1 0 318.417 3.937 20 5 DHBDRO COCC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000596056989 1040291362 /nfs/dbraw/zinc/29/13/62/1040291362.db2.gz DKFKOUMEFHJEGL-CLFYSBASSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@H]1C[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000596154974 1040331014 /nfs/dbraw/zinc/33/10/14/1040331014.db2.gz GLJORNOEWNIEHU-ONGXEEELSA-N 1 0 311.332 3.570 20 5 DHBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596308264 1040378551 /nfs/dbraw/zinc/37/85/51/1040378551.db2.gz JBNWIACRTBAJEF-NSHDSACASA-N 1 0 313.348 3.817 20 5 DHBDRO Nc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596653178 1040523802 /nfs/dbraw/zinc/52/38/02/1040523802.db2.gz SCFSNXHYHXUBJC-RBUKOAKNSA-N 1 0 323.396 3.832 20 5 DHBDRO Cc1ncc(-c2cc(C[NH+]3CCCC3)ccc2F)cc1[N+](=O)[O-] ZINC000596628439 1040527894 /nfs/dbraw/zinc/52/78/94/1040527894.db2.gz DZZDSJPDESDVPX-UHFFFAOYSA-N 1 0 315.348 3.700 20 5 DHBDRO O=[N+]([O-])c1ccc(NCCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000064029449 1040642911 /nfs/dbraw/zinc/64/29/11/1040642911.db2.gz QGVYFHYQCUZYSK-UHFFFAOYSA-N 1 0 317.414 3.517 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)cs2)c1 ZINC000597223595 1040702305 /nfs/dbraw/zinc/70/23/05/1040702305.db2.gz QOGXIMOKEQPCPS-DGCLKSJQSA-N 1 0 315.398 3.560 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CNc3ccccc3C1)CCC2 ZINC000593319529 1040717346 /nfs/dbraw/zinc/71/73/46/1040717346.db2.gz MNGJVRYDKSIMTI-KXBFYZLASA-N 1 0 323.396 3.599 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1 ZINC000602691831 1041154542 /nfs/dbraw/zinc/15/45/42/1041154542.db2.gz UCTMPLDWPFLNRE-GZMMTYOYSA-N 1 0 320.336 3.597 20 5 DHBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000042555433 183284383 /nfs/dbraw/zinc/28/43/83/183284383.db2.gz CXVLWZYYBFCGDL-VHSXEESVSA-N 1 0 315.211 3.882 20 5 DHBDRO CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000057364280 184036236 /nfs/dbraw/zinc/03/62/36/184036236.db2.gz ANQZYZRUCQOEHX-GOSISDBHSA-N 1 0 313.401 3.872 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000120532947 195185372 /nfs/dbraw/zinc/18/53/72/195185372.db2.gz QSBQAJPSJBRFCE-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000272409649 130027407 /nfs/dbraw/zinc/02/74/07/130027407.db2.gz FOQPBSMSGHVPKD-UONOGXRCSA-N 1 0 314.389 3.567 20 5 DHBDRO COCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272568066 130042743 /nfs/dbraw/zinc/04/27/43/130042743.db2.gz FOILXGOZCRQSOQ-BBRMVZONSA-N 1 0 318.373 3.925 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000272677299 130052509 /nfs/dbraw/zinc/05/25/09/130052509.db2.gz UULHYZDGNVDFEU-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000273271319 130102543 /nfs/dbraw/zinc/10/25/43/130102543.db2.gz OOSOBCRKESWDMJ-AEGPPILISA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000274180833 130213904 /nfs/dbraw/zinc/21/39/04/130213904.db2.gz FJIALBJPTYHEJH-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO COc1ccsc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000274578835 130246965 /nfs/dbraw/zinc/24/69/65/130246965.db2.gz KOSLMFFQLIDSOB-LLVKDONJSA-N 1 0 306.387 3.558 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2COc3ccccc32)c1 ZINC000288526179 131329189 /nfs/dbraw/zinc/32/91/89/131329189.db2.gz JXJUZYCXFAWXMK-GFCCVEGCSA-N 1 0 318.760 3.514 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289288959 131371080 /nfs/dbraw/zinc/37/10/80/131371080.db2.gz HABAVYMTCUJVFY-WMLDXEAASA-N 1 0 311.385 3.930 20 5 DHBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000297267882 132006153 /nfs/dbraw/zinc/00/61/53/132006153.db2.gz KMPUHDPWRVJGLW-SGTLLEGYSA-N 1 0 312.369 3.942 20 5 DHBDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000297267878 132006654 /nfs/dbraw/zinc/00/66/54/132006654.db2.gz KMPUHDPWRVJGLW-KPZWWZAWSA-N 1 0 312.369 3.942 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000298988850 132084820 /nfs/dbraw/zinc/08/48/20/132084820.db2.gz PUQZEQOERXSJKF-KDOFPFPSSA-N 1 0 314.385 3.678 20 5 DHBDRO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCCCCC2)ncc1[N+](=O)[O-] ZINC000470867893 435133675 /nfs/dbraw/zinc/13/36/75/435133675.db2.gz VYXXGWLIFSMXES-HNNXBMFYSA-N 1 0 320.437 3.611 20 5 DHBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000531146849 332868938 /nfs/dbraw/zinc/86/89/38/332868938.db2.gz LUMDFUMDYFJXHX-UHFFFAOYSA-N 1 0 321.421 3.670 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000583944061 331478055 /nfs/dbraw/zinc/47/80/55/331478055.db2.gz BAEHWJIUYPNPCE-SMDDNHRTSA-N 1 0 310.344 3.997 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCc2c1cccc2O ZINC000557781657 331815688 /nfs/dbraw/zinc/81/56/88/331815688.db2.gz DPUHZWBWGPHMQI-DQOPKJQZSA-N 1 0 310.353 3.591 20 5 DHBDRO CCC(CC)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000394261993 332013242 /nfs/dbraw/zinc/01/32/42/332013242.db2.gz MRQLNJUHVGFOTN-UHFFFAOYSA-N 1 0 300.786 3.543 20 5 DHBDRO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000518450519 332047397 /nfs/dbraw/zinc/04/73/97/332047397.db2.gz IWUNGZILDSNCHG-INIZCTEOSA-N 1 0 319.449 3.682 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448024644 332190889 /nfs/dbraw/zinc/19/08/89/332190889.db2.gz ZONLQPIKADRSLD-WMLDXEAASA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCCOCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000151828289 332621061 /nfs/dbraw/zinc/62/10/61/332621061.db2.gz RQGIQMLURZWYOH-LLVKDONJSA-N 1 0 320.311 3.523 20 5 DHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCC3(CC3)CC2)n1 ZINC000574897121 332665167 /nfs/dbraw/zinc/66/51/67/332665167.db2.gz MPZWTGPAMJVLJC-GJZGRUSLSA-N 1 0 318.421 3.587 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000151002835 332676610 /nfs/dbraw/zinc/67/66/10/332676610.db2.gz JNYLRXDOHSVPIQ-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO COc1ccc(C[NH+]2CCC(C)(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000569970323 332697953 /nfs/dbraw/zinc/69/79/53/332697953.db2.gz LCOSBLMXSYLICZ-UHFFFAOYSA-N 1 0 304.390 3.616 20 5 DHBDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173326960 333071894 /nfs/dbraw/zinc/07/18/94/333071894.db2.gz DHNPAQDSJSJDSM-CYBMUJFWSA-N 1 0 315.373 3.628 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCC(C(F)F)CC1 ZINC000582073026 333200423 /nfs/dbraw/zinc/20/04/23/333200423.db2.gz PWAWEMQUVFZCJC-MGULZYLOSA-N 1 0 310.344 3.996 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc(C(F)F)cc2)cc1[N+](=O)[O-] ZINC000185176734 333204954 /nfs/dbraw/zinc/20/49/54/333204954.db2.gz PIZFCLIHXXAJAO-UHFFFAOYSA-N 1 0 322.311 3.831 20 5 DHBDRO Cc1cccc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000563060945 333226646 /nfs/dbraw/zinc/22/66/46/333226646.db2.gz RTENQGUIVALQMF-UHFFFAOYSA-N 1 0 313.401 3.751 20 5 DHBDRO COCc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119577374 333255590 /nfs/dbraw/zinc/25/55/90/333255590.db2.gz ZYYYHENGTUAVGY-ZDUSSCGKSA-N 1 0 300.358 3.592 20 5 DHBDRO CC(C)OCCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228564021 333390630 /nfs/dbraw/zinc/39/06/30/333390630.db2.gz ACWYOMGLDZUZLB-UHFFFAOYSA-N 1 0 300.786 3.543 20 5 DHBDRO Cc1cc(NC[C@H]2CCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228581851 333391781 /nfs/dbraw/zinc/39/17/81/333391781.db2.gz JBLOKXDKKHGPFY-LLVKDONJSA-N 1 0 303.387 3.616 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000531701769 333547956 /nfs/dbraw/zinc/54/79/56/333547956.db2.gz FZFFFINPUBHVLI-RDTXWAMCSA-N 1 0 314.385 3.942 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411943303 333714751 /nfs/dbraw/zinc/71/47/51/333714751.db2.gz IUMZJIIJGULSOE-BONVTDFDSA-N 1 0 312.797 3.541 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000414180178 333909332 /nfs/dbraw/zinc/90/93/32/333909332.db2.gz LASCXDXQPVFPME-IUODEOHRSA-N 1 0 321.421 3.726 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CS1 ZINC000414503965 334000402 /nfs/dbraw/zinc/00/04/02/334000402.db2.gz RPTYLJOAQSZBND-NWDGAFQWSA-N 1 0 318.398 3.838 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OCC1CC1 ZINC000414506981 334001034 /nfs/dbraw/zinc/00/10/34/334001034.db2.gz VDVUZRHXDMFPTN-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000271483683 334023874 /nfs/dbraw/zinc/02/38/74/334023874.db2.gz KQYYZEXYRDOCNA-CQSZACIVSA-N 1 0 313.401 3.820 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cscn1 ZINC000272261003 334031889 /nfs/dbraw/zinc/03/18/89/334031889.db2.gz APDORDRBNACJRR-SECBINFHSA-N 1 0 311.794 3.598 20 5 DHBDRO COCC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000272507113 334036286 /nfs/dbraw/zinc/03/62/86/334036286.db2.gz FNSGLRONQMBHCW-BBRMVZONSA-N 1 0 318.373 3.925 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278983298 334104556 /nfs/dbraw/zinc/10/45/56/334104556.db2.gz DEPWSGPJMPYMLZ-MLGOLLRUSA-N 1 0 318.417 3.864 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414937487 334199812 /nfs/dbraw/zinc/19/98/12/334199812.db2.gz VSSJYECABIXAHH-GOSISDBHSA-N 1 0 311.385 3.653 20 5 DHBDRO C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000388773374 334269771 /nfs/dbraw/zinc/26/97/71/334269771.db2.gz GFWUWAVVRHWXPO-ONGXEEELSA-N 1 0 317.311 3.508 20 5 DHBDRO CCC(O)(CC)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000471827544 334271074 /nfs/dbraw/zinc/27/10/74/334271074.db2.gz QTGINQLMRFYSSA-SDNWHVSQSA-N 1 0 306.406 3.529 20 5 DHBDRO COc1ccc(C)cc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000531944902 334300421 /nfs/dbraw/zinc/30/04/21/334300421.db2.gz CCADGXANXUUBTJ-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO COC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417342232 334705708 /nfs/dbraw/zinc/70/57/08/334705708.db2.gz MGDOYCLPTBRINF-MRXNPFEDSA-N 1 0 304.390 3.521 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2COCc3ccccc32)cccc1[N+](=O)[O-] ZINC000417357173 334707436 /nfs/dbraw/zinc/70/74/36/334707436.db2.gz GGZLBHCEILXJSE-SUMWQHHRSA-N 1 0 312.369 3.825 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCSC1)CCCC2 ZINC000417325167 334708607 /nfs/dbraw/zinc/70/86/07/334708607.db2.gz DSCZBBYKNVTZAJ-BLLLJJGKSA-N 1 0 306.431 3.705 20 5 DHBDRO C[C@H]([NH2+][C@H](CO)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417374316 334765351 /nfs/dbraw/zinc/76/53/51/334765351.db2.gz XZFGPYRRTAZRPP-BBRMVZONSA-N 1 0 306.406 3.577 20 5 DHBDRO CCOC(C)(C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000188684972 334868965 /nfs/dbraw/zinc/86/89/65/334868965.db2.gz HIWCNBZVOFBSEF-HOCLYGCPSA-N 1 0 320.433 3.711 20 5 DHBDRO CCC[C@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000344313733 335240151 /nfs/dbraw/zinc/24/01/51/335240151.db2.gz ZODFBXCWWFYPQN-DLBZAZTESA-N 1 0 320.433 3.823 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2SCCc3ccccc32)cs1 ZINC000344757175 335273796 /nfs/dbraw/zinc/27/37/96/335273796.db2.gz KGGOJASQMXOGDZ-AWEZNQCLSA-N 1 0 320.439 3.777 20 5 DHBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000344704561 335273925 /nfs/dbraw/zinc/27/39/25/335273925.db2.gz VIVMDGASRCKDOI-MMPTUQATSA-N 1 0 318.398 3.699 20 5 DHBDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000345700147 335343110 /nfs/dbraw/zinc/34/31/10/335343110.db2.gz JRAMHNOTRRHKIX-YVEFUNNKSA-N 1 0 318.348 3.600 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC000468623177 335352080 /nfs/dbraw/zinc/35/20/80/335352080.db2.gz XOVHROPMYIPWLN-DZXKJOIRSA-N 1 0 320.433 3.631 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000479550335 335529528 /nfs/dbraw/zinc/52/95/28/335529528.db2.gz BYNUAKMSJMOXPJ-UONOGXRCSA-N 1 0 308.422 3.741 20 5 DHBDRO CC(C)(CC1CCCCCC1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000444793624 338489330 /nfs/dbraw/zinc/48/93/30/338489330.db2.gz POLMUKYNHSFTOZ-UHFFFAOYSA-N 1 0 308.426 3.520 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3C4CCC3CC4)cs2)c1 ZINC000535779827 335765386 /nfs/dbraw/zinc/76/53/86/335765386.db2.gz DBZZOOBEHBQBSY-UHFFFAOYSA-N 1 0 315.398 3.845 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000527355310 335837946 /nfs/dbraw/zinc/83/79/46/335837946.db2.gz JSTNHXUBSJCXGY-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000331757841 336147535 /nfs/dbraw/zinc/14/75/35/336147535.db2.gz AQJJSKUKNXUDHB-ZDUSSCGKSA-N 1 0 317.414 3.835 20 5 DHBDRO COCC[C@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000332240633 336164471 /nfs/dbraw/zinc/16/44/71/336164471.db2.gz AAZHNTKPERPDQL-OAHLLOKOSA-N 1 0 306.406 3.542 20 5 DHBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000352609046 336226759 /nfs/dbraw/zinc/22/67/59/336226759.db2.gz QNDMCYUZANMGQY-JKSUJKDBSA-N 1 0 322.380 3.513 20 5 DHBDRO CC(C)OCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000396415484 336280112 /nfs/dbraw/zinc/28/01/12/336280112.db2.gz KEHYXKYFZNZIGS-UHFFFAOYSA-N 1 0 300.786 3.541 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000301079202 336288784 /nfs/dbraw/zinc/28/87/84/336288784.db2.gz CFYMESVGZGCEHM-UHFFFAOYSA-N 1 0 317.364 3.798 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000301347000 336301779 /nfs/dbraw/zinc/30/17/79/336301779.db2.gz HEVZANIINIUAQO-CQSZACIVSA-N 1 0 323.824 3.703 20 5 DHBDRO Cc1nc(NC2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301664873 336321842 /nfs/dbraw/zinc/32/18/42/336321842.db2.gz OAJZNQCPJIELRN-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO C[N@@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301823998 336332547 /nfs/dbraw/zinc/33/25/47/336332547.db2.gz CWJXOKGXMVIJPK-RDJZCZTQSA-N 1 0 315.348 3.591 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000302020521 336343554 /nfs/dbraw/zinc/34/35/54/336343554.db2.gz NQGUAAWUNZOUFO-KGLIPLIRSA-N 1 0 323.462 3.747 20 5 DHBDRO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302052745 336345674 /nfs/dbraw/zinc/34/56/74/336345674.db2.gz OYLSVPROBGKCFC-OLZOCXBDSA-N 1 0 321.396 3.799 20 5 DHBDRO CC1(C)CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000582233505 336371741 /nfs/dbraw/zinc/37/17/41/336371741.db2.gz KFXVBAQRKWFRBC-ZDUSSCGKSA-N 1 0 301.390 3.787 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352966402 336379873 /nfs/dbraw/zinc/37/98/73/336379873.db2.gz KNQZSFBQTLPTKM-CABCVRRESA-N 1 0 306.406 3.982 20 5 DHBDRO CSC1(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000356420057 336549070 /nfs/dbraw/zinc/54/90/70/336549070.db2.gz HSLSRWWDKMMVFE-UHFFFAOYSA-N 1 0 314.838 3.666 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000357989010 336605115 /nfs/dbraw/zinc/60/51/15/336605115.db2.gz GFTDWNOXGXCSLD-MEDUHNTESA-N 1 0 316.405 3.747 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000359016470 336653353 /nfs/dbraw/zinc/65/33/53/336653353.db2.gz QWXJGMAHLBHKFZ-GOSISDBHSA-N 1 0 313.401 3.972 20 5 DHBDRO CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000359035562 336654564 /nfs/dbraw/zinc/65/45/64/336654564.db2.gz LQVMVJXLIVZXKY-RHSMWYFYSA-N 1 0 320.433 3.749 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000371763144 336912415 /nfs/dbraw/zinc/91/24/15/336912415.db2.gz UZVBBURCIHJGNE-UHFFFAOYSA-N 1 0 319.364 3.947 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000372094752 336921907 /nfs/dbraw/zinc/92/19/07/336921907.db2.gz LPDINQWZLOFJQJ-KKXDTOCCSA-N 1 0 318.417 3.759 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1F ZINC000582434638 336977578 /nfs/dbraw/zinc/97/75/78/336977578.db2.gz FDKGZHQFIUXXFA-SLBVQIDZSA-N 1 0 306.381 3.786 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000374579085 336992869 /nfs/dbraw/zinc/99/28/69/336992869.db2.gz WWONQMJNZQVXET-GUDXXQAFSA-N 1 0 318.417 3.757 20 5 DHBDRO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000305182711 337018018 /nfs/dbraw/zinc/01/80/18/337018018.db2.gz WPXCBPSTMXARNP-KBXCAEBGSA-N 1 0 314.385 3.759 20 5 DHBDRO Cc1cc(SCC[N@@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000193745479 337079312 /nfs/dbraw/zinc/07/93/12/337079312.db2.gz BWNOIGHFIKSTLD-UHFFFAOYSA-N 1 0 317.414 3.522 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC2(SC)CC2)cc1[N+](=O)[O-] ZINC000193820845 337080337 /nfs/dbraw/zinc/08/03/37/337080337.db2.gz GKTGGAIRNPSEEH-NSHDSACASA-N 1 0 310.419 3.540 20 5 DHBDRO CO[C@H](C)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000582573953 337107636 /nfs/dbraw/zinc/10/76/36/337107636.db2.gz XDTZATUMWBOXNZ-GFCCVEGCSA-N 1 0 320.414 3.790 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000173348916 337134728 /nfs/dbraw/zinc/13/47/28/337134728.db2.gz MJMGNSMJBOYZCZ-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180705216 337177446 /nfs/dbraw/zinc/17/74/46/337177446.db2.gz DPBIUDBRMVWTHC-IUODEOHRSA-N 1 0 322.405 3.756 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180705159 337177449 /nfs/dbraw/zinc/17/74/49/337177449.db2.gz DPBIUDBRMVWTHC-WFASDCNBSA-N 1 0 322.405 3.756 20 5 DHBDRO CC[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181715790 337183872 /nfs/dbraw/zinc/18/38/72/337183872.db2.gz BYPXHOSHKWDXEY-HZPDHXFCSA-N 1 0 308.422 3.679 20 5 DHBDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182339480 337187970 /nfs/dbraw/zinc/18/79/70/337187970.db2.gz NIXZRXPFDOWUHJ-SNVBAGLBSA-N 1 0 302.827 3.822 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000583173590 337253558 /nfs/dbraw/zinc/25/35/58/337253558.db2.gz GJZLDRGAMNEGHY-LSDHHAIUSA-N 1 0 307.438 3.674 20 5 DHBDRO C[C@H]1CCSCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191816893 337300395 /nfs/dbraw/zinc/30/03/95/337300395.db2.gz NKWYBIUJBJLNLQ-JTQLQIEISA-N 1 0 300.811 3.576 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000580412318 337398665 /nfs/dbraw/zinc/39/86/65/337398665.db2.gz RMQYDCQJWGCGFH-YOEHRIQHSA-N 1 0 318.417 3.910 20 5 DHBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420272208 337498178 /nfs/dbraw/zinc/49/81/78/337498178.db2.gz DFCSTPBIMWETPB-NXEZZACHSA-N 1 0 317.311 3.543 20 5 DHBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000420293152 337498519 /nfs/dbraw/zinc/49/85/19/337498519.db2.gz XSQSNZYZNLHALL-ZJUUUORDSA-N 1 0 317.311 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc(C4CC4)c3)nc2c1 ZINC000421395248 337530779 /nfs/dbraw/zinc/53/07/79/337530779.db2.gz PXYJKBBEJYSZPA-UHFFFAOYSA-N 1 0 322.368 3.638 20 5 DHBDRO CC[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000247236664 337558548 /nfs/dbraw/zinc/55/85/48/337558548.db2.gz XGQZYEAYFONEMH-BBWFWOEESA-N 1 0 306.406 3.577 20 5 DHBDRO CC[NH2+]CCN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423235778 337706319 /nfs/dbraw/zinc/70/63/19/337706319.db2.gz BDWHAZUCVTVNDA-GFCCVEGCSA-N 1 0 319.430 3.583 20 5 DHBDRO C[C@H](NCC[NH2+]C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423264584 337708157 /nfs/dbraw/zinc/70/81/57/337708157.db2.gz AGFMAORVZUKDQL-AWEZNQCLSA-N 1 0 305.422 3.558 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)COCC(F)(F)F ZINC000536883841 337844283 /nfs/dbraw/zinc/84/42/83/337844283.db2.gz ZITCIXKJKPGOLX-MNOVXSKESA-N 1 0 320.311 3.521 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccccc2)cc1[N+](=O)[O-] ZINC000120145505 337870829 /nfs/dbraw/zinc/87/08/29/337870829.db2.gz CXEJKZHASPCXPZ-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000122957601 337932906 /nfs/dbraw/zinc/93/29/06/337932906.db2.gz WDLORRDNSOWLMN-GXTWGEPZSA-N 1 0 314.385 3.891 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000098173022 337960233 /nfs/dbraw/zinc/96/02/33/337960233.db2.gz NSWNAWDUHOPDPX-MRXNPFEDSA-N 1 0 316.332 3.737 20 5 DHBDRO CCOc1cccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000537960937 337962799 /nfs/dbraw/zinc/96/27/99/337962799.db2.gz OLKXYIFELZJFRW-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000515550906 337992456 /nfs/dbraw/zinc/99/24/56/337992456.db2.gz WMZMCVFHXFDCTP-GJZGRUSLSA-N 1 0 305.422 3.765 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC12CCSCC2 ZINC000516088217 338004343 /nfs/dbraw/zinc/00/43/43/338004343.db2.gz KBPYUFIKRJKQKI-DOMZBBRYSA-N 1 0 318.442 3.705 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426456833 338032693 /nfs/dbraw/zinc/03/26/93/338032693.db2.gz FISJWOTWGLFNIG-CJNGLKHVSA-N 1 0 304.390 3.756 20 5 DHBDRO CSC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000429287645 338076566 /nfs/dbraw/zinc/07/65/66/338076566.db2.gz NKSWSHYXCIRMEE-NSHDSACASA-N 1 0 314.838 3.823 20 5 DHBDRO CCC(CC)(C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000430142217 338098936 /nfs/dbraw/zinc/09/89/36/338098936.db2.gz BEJJVSWLYWPRMK-CQSZACIVSA-N 1 0 308.422 3.711 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000430219404 338101967 /nfs/dbraw/zinc/10/19/67/338101967.db2.gz NSXFLEHQZXNSHC-KRWDZBQOSA-N 1 0 312.369 3.941 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000430226085 338102180 /nfs/dbraw/zinc/10/21/80/338102180.db2.gz ZWXVLZOUUQBMNK-GOSISDBHSA-N 1 0 312.369 3.844 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232220 338102292 /nfs/dbraw/zinc/10/22/92/338102292.db2.gz FWGQEWVMCGWENA-HIFRSBDPSA-N 1 0 324.446 3.709 20 5 DHBDRO Cc1c(C[N@@H+](C)Cc2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000432441055 338156509 /nfs/dbraw/zinc/15/65/09/338156509.db2.gz JILIEYCWSHWOFA-UHFFFAOYSA-N 1 0 313.401 3.601 20 5 DHBDRO CC(C)[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000433098663 338181756 /nfs/dbraw/zinc/18/17/56/338181756.db2.gz WMUOQTRYHSBDII-CVEARBPZSA-N 1 0 320.433 3.702 20 5 DHBDRO CC[C@H](C)[N@H+](C)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433173673 338184056 /nfs/dbraw/zinc/18/40/56/338184056.db2.gz HHFGUQJOBHWFIP-SUMWQHHRSA-N 1 0 319.449 3.637 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000151933676 338195800 /nfs/dbraw/zinc/19/58/00/338195800.db2.gz YRIWHSGMPLBZDU-KSSFIOAISA-N 1 0 313.401 3.548 20 5 DHBDRO CC1(C)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000435053718 338231099 /nfs/dbraw/zinc/23/10/99/338231099.db2.gz VFSGFESRTOTFLT-ALCCZGGFSA-N 1 0 306.431 3.826 20 5 DHBDRO CSc1ccc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000435742202 338247454 /nfs/dbraw/zinc/24/74/54/338247454.db2.gz TWWPMILINLPRMZ-UHFFFAOYSA-N 1 0 308.428 3.711 20 5 DHBDRO C[C@@H](c1ccco1)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000440906396 338399789 /nfs/dbraw/zinc/39/97/89/338399789.db2.gz HFLGDDBKICAUPJ-ZDUSSCGKSA-N 1 0 316.357 3.792 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC[C@H](C4CC4)C3)nc2c1 ZINC000446835779 338537596 /nfs/dbraw/zinc/53/75/96/338537596.db2.gz QHNWJJZHWYFZQV-STQMWFEESA-N 1 0 314.389 3.530 20 5 DHBDRO CC[C@H](Cc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446853865 338538625 /nfs/dbraw/zinc/53/86/25/338538625.db2.gz SVNVRKPPNNNAKB-CQSZACIVSA-N 1 0 324.384 3.582 20 5 DHBDRO CCCC(O)(CCC)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537157 338555159 /nfs/dbraw/zinc/55/51/59/338555159.db2.gz SVUULZBEPPGFQP-KRWDZBQOSA-N 1 0 320.433 3.893 20 5 DHBDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059005 338589297 /nfs/dbraw/zinc/58/92/97/338589297.db2.gz NVVKFGWNVDAMMR-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449086885 338592200 /nfs/dbraw/zinc/59/22/00/338592200.db2.gz TVDQVRVTDOHNTG-KSSFIOAISA-N 1 0 314.385 3.503 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ccc1C ZINC000449099436 338593372 /nfs/dbraw/zinc/59/33/72/338593372.db2.gz NNONKOWFMKTYEJ-CQSZACIVSA-N 1 0 314.385 3.633 20 5 DHBDRO COC1CCC(C)(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449294644 338610329 /nfs/dbraw/zinc/61/03/29/338610329.db2.gz MCESBGAEZPTSSS-NXVRBGIVSA-N 1 0 320.433 3.711 20 5 DHBDRO COCC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000449309656 338611620 /nfs/dbraw/zinc/61/16/20/338611620.db2.gz DZFKUZWVXDLBRD-CZUORRHYSA-N 1 0 308.422 3.567 20 5 DHBDRO COCC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000449309654 338611744 /nfs/dbraw/zinc/61/17/44/338611744.db2.gz DZFKUZWVXDLBRD-BBRMVZONSA-N 1 0 308.422 3.567 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(F)(F)F)CCC1 ZINC000449320153 338612594 /nfs/dbraw/zinc/61/25/94/338612594.db2.gz HXMHEKOWOWIBBM-NSHDSACASA-N 1 0 316.323 3.848 20 5 DHBDRO CC(C)n1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000449346526 338615565 /nfs/dbraw/zinc/61/55/65/338615565.db2.gz AIXPXPRNYHUBCT-KBPBESRZSA-N 1 0 316.405 3.654 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000449350589 338616596 /nfs/dbraw/zinc/61/65/96/338616596.db2.gz MKAGMCJSMHNXMW-MRXNPFEDSA-N 1 0 300.333 3.901 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000459459147 339030321 /nfs/dbraw/zinc/03/03/21/339030321.db2.gz RDFHLSHDQNNMQN-UHFFFAOYSA-N 1 0 304.777 3.623 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCCF ZINC000462820397 339091949 /nfs/dbraw/zinc/09/19/49/339091949.db2.gz YMKOSEFQUUJTNW-LBPRGKRZSA-N 1 0 300.399 3.805 20 5 DHBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000463075104 339104384 /nfs/dbraw/zinc/10/43/84/339104384.db2.gz WWJBFRRUNCTWAB-CYBMUJFWSA-N 1 0 311.813 3.559 20 5 DHBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1(C)C ZINC000464075898 339133380 /nfs/dbraw/zinc/13/33/80/339133380.db2.gz QPZSSGZTECDWSL-KIUVSXKZSA-N 1 0 318.417 3.790 20 5 DHBDRO COc1cc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000464678515 339148408 /nfs/dbraw/zinc/14/84/08/339148408.db2.gz PMWBRAYMBBPFNP-TYNCELHUSA-N 1 0 322.380 3.896 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464678729 339148471 /nfs/dbraw/zinc/14/84/71/339148471.db2.gz GQZNBJDTYJCKIT-GFCCVEGCSA-N 1 0 310.369 3.611 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(CC[NH+](C)C)cc1 ZINC000466439312 339205025 /nfs/dbraw/zinc/20/50/25/339205025.db2.gz RDTNHYSUTZZKRZ-UHFFFAOYSA-N 1 0 313.401 3.619 20 5 DHBDRO C[C@@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467837139 339247304 /nfs/dbraw/zinc/24/73/04/339247304.db2.gz XSEMVSWXYJNGDD-STQMWFEESA-N 1 0 318.348 3.852 20 5 DHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467834820 339247339 /nfs/dbraw/zinc/24/73/39/339247339.db2.gz MSHSWVVQQGYMDC-QKPAOTATSA-N 1 0 319.449 3.612 20 5 DHBDRO CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467867206 339248139 /nfs/dbraw/zinc/24/81/39/339248139.db2.gz KXEMBDQYWHGLSG-HOCLYGCPSA-N 1 0 305.422 3.510 20 5 DHBDRO CC(C)C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000467979595 339250470 /nfs/dbraw/zinc/25/04/70/339250470.db2.gz BPPZJYNRUGLQNE-QGZVFWFLSA-N 1 0 313.401 3.909 20 5 DHBDRO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467997742 339250724 /nfs/dbraw/zinc/25/07/24/339250724.db2.gz FWMUFEIUPJOMLE-SGTLLEGYSA-N 1 0 314.360 3.800 20 5 DHBDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468547711 339265918 /nfs/dbraw/zinc/26/59/18/339265918.db2.gz KKFOODLNFQVRCI-CRAIPNDOSA-N 1 0 322.449 3.693 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCOC(C)C ZINC000468612444 339267094 /nfs/dbraw/zinc/26/70/94/339267094.db2.gz QOMRXEPKQUMSSS-RVDMUPIBSA-N 1 0 306.406 3.793 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@@H]1CCCCO1 ZINC000468616732 339267134 /nfs/dbraw/zinc/26/71/34/339267134.db2.gz BPTYABHGZHPFJA-NZHZHZHDSA-N 1 0 318.417 3.937 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1scnc1C ZINC000468643809 339267828 /nfs/dbraw/zinc/26/78/28/339267828.db2.gz UFMZOAOVCAZCRZ-WDZFZDKYSA-N 1 0 303.387 3.553 20 5 DHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000469775200 339298918 /nfs/dbraw/zinc/29/89/18/339298918.db2.gz KKJRYQCTLMJCSB-XJKSGUPXSA-N 1 0 324.446 3.757 20 5 DHBDRO CC1(C)[C@@H](C(F)(F)F)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000469994356 339307251 /nfs/dbraw/zinc/30/72/51/339307251.db2.gz XCAZTFMHPWIXGD-LBPRGKRZSA-N 1 0 320.286 3.897 20 5 DHBDRO CC[C@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCS1 ZINC000470183903 339313223 /nfs/dbraw/zinc/31/32/23/339313223.db2.gz SVOCJPFCNZDDLI-OVHOFWQVSA-N 1 0 306.431 3.826 20 5 DHBDRO Cc1c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000470956269 339332792 /nfs/dbraw/zinc/33/27/92/339332792.db2.gz BJKKQINTAZCMGG-PWSUYJOCSA-N 1 0 302.296 3.676 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000477861451 339503039 /nfs/dbraw/zinc/50/30/39/339503039.db2.gz NJWAWSWVHHYWHD-KSSFIOAISA-N 1 0 320.433 3.885 20 5 DHBDRO COC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC(C)CC1 ZINC000479500156 339538352 /nfs/dbraw/zinc/53/83/52/339538352.db2.gz HNYXJQGOAIONOK-UUCFBXCCSA-N 1 0 306.406 3.841 20 5 DHBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481187230 339597826 /nfs/dbraw/zinc/59/78/26/339597826.db2.gz FUCCUYZXNZWKLS-ZFWWWQNUSA-N 1 0 322.405 3.541 20 5 DHBDRO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000483624631 339669819 /nfs/dbraw/zinc/66/98/19/339669819.db2.gz LMMZZFDXOZFMTK-CHWSQXEVSA-N 1 0 318.348 3.852 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000483725945 339672863 /nfs/dbraw/zinc/67/28/63/339672863.db2.gz IUKAIKMNOPPNMO-JFOHDYCDSA-N 1 0 318.417 3.757 20 5 DHBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000483873021 339677562 /nfs/dbraw/zinc/67/75/62/339677562.db2.gz SZHFRKGJWDBJTM-SRCQZFHVSA-N 1 0 306.406 3.757 20 5 DHBDRO C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000484660532 339691917 /nfs/dbraw/zinc/69/19/17/339691917.db2.gz YCUHXQCMOXIOHL-LBPRGKRZSA-N 1 0 316.405 3.531 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000494509612 339951993 /nfs/dbraw/zinc/95/19/93/339951993.db2.gz CXXDNCYFXOGZIV-ZDUSSCGKSA-N 1 0 302.296 3.892 20 5 DHBDRO CC(C)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000498765853 340022994 /nfs/dbraw/zinc/02/29/94/340022994.db2.gz IZBHBAWGIWVMIB-QGZVFWFLSA-N 1 0 317.364 3.658 20 5 DHBDRO CCOCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000500746503 340066302 /nfs/dbraw/zinc/06/63/02/340066302.db2.gz ISKZAZPXTUHEJU-UHFFFAOYSA-N 1 0 320.414 3.792 20 5 DHBDRO CCC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501026543 340072528 /nfs/dbraw/zinc/07/25/28/340072528.db2.gz BWHYDNPCLMEVNI-CQSZACIVSA-N 1 0 319.405 3.578 20 5 DHBDRO Cc1cccc(C)c1OCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000501876153 340090158 /nfs/dbraw/zinc/09/01/58/340090158.db2.gz UCASNLVEBYAYNP-UHFFFAOYSA-N 1 0 314.385 3.722 20 5 DHBDRO COc1ccc(CCC[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000502666877 340109924 /nfs/dbraw/zinc/10/99/24/340109924.db2.gz OKJDZPNRBXJMCC-UHFFFAOYSA-N 1 0 320.414 3.730 20 5 DHBDRO Cc1cc(F)cc2c1CN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000502874841 340115356 /nfs/dbraw/zinc/11/53/56/340115356.db2.gz ABFDLSONXFCZDC-UHFFFAOYSA-N 1 0 300.333 3.601 20 5 DHBDRO CC(C)[NH+](CCN(C)[C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000505886128 340180759 /nfs/dbraw/zinc/18/07/59/340180759.db2.gz ZIWDCEZLYTUNGE-OAHLLOKOSA-N 1 0 307.438 3.706 20 5 DHBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507151185 340209551 /nfs/dbraw/zinc/20/95/51/340209551.db2.gz BGYXJWWTWOIVDK-CYBMUJFWSA-N 1 0 314.332 3.817 20 5 DHBDRO CCC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000402391295 340230433 /nfs/dbraw/zinc/23/04/33/340230433.db2.gz UINALIMSADDVSR-WMLDXEAASA-N 1 0 306.406 3.842 20 5 DHBDRO CC[N@H+](CCc1cccs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000508707497 340251198 /nfs/dbraw/zinc/25/11/98/340251198.db2.gz TZEYNMXYRRDCMO-UHFFFAOYSA-N 1 0 320.414 3.730 20 5 DHBDRO COC[C@@H](C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000510434724 340299229 /nfs/dbraw/zinc/29/92/29/340299229.db2.gz GBCQNVBJIXBXJF-GFCCVEGCSA-N 1 0 320.414 3.790 20 5 DHBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)(C)C ZINC000510657044 340305391 /nfs/dbraw/zinc/30/53/91/340305391.db2.gz ITIUWJVFBUSRSS-UHFFFAOYSA-N 1 0 302.321 3.674 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000510933178 340315438 /nfs/dbraw/zinc/31/54/38/340315438.db2.gz MVJWFMAITDETOC-CZUORRHYSA-N 1 0 312.369 3.639 20 5 DHBDRO COCC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000510985247 340317225 /nfs/dbraw/zinc/31/72/25/340317225.db2.gz ZYDNATNBZXRSFC-YOEHRIQHSA-N 1 0 322.449 3.957 20 5 DHBDRO C[N@H+](CCc1ccccc1Cl)CCc1ccccc1[N+](=O)[O-] ZINC000511107520 340320964 /nfs/dbraw/zinc/32/09/64/340320964.db2.gz NWIHUTPFRAQMAC-UHFFFAOYSA-N 1 0 318.804 3.965 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1sccc1Cl ZINC000511120255 340321391 /nfs/dbraw/zinc/32/13/91/340321391.db2.gz CNLPIPDUPQFGSP-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512129259 340349276 /nfs/dbraw/zinc/34/92/76/340349276.db2.gz KCECTYQJVDKLAQ-ARJAWSKDSA-N 1 0 304.296 3.676 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000512188532 340351577 /nfs/dbraw/zinc/35/15/77/340351577.db2.gz ZSMDVZPOEOLQBD-VYDXJSESSA-N 1 0 317.433 3.523 20 5 DHBDRO COc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000173380987 340363845 /nfs/dbraw/zinc/36/38/45/340363845.db2.gz IAMLMMPRDDFCAI-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512859765 340381097 /nfs/dbraw/zinc/38/10/97/340381097.db2.gz DXIZRUCLVDWHME-NHYWBVRUSA-N 1 0 318.398 3.696 20 5 DHBDRO C[C@@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513027906 340389290 /nfs/dbraw/zinc/38/92/90/340389290.db2.gz QTECEUJXHHYLMR-DIECRNLCSA-N 1 0 322.368 3.835 20 5 DHBDRO Cc1c(C[NH2+]Cc2cc(F)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000231884419 340627260 /nfs/dbraw/zinc/62/72/60/340627260.db2.gz DEMCCXRYGAIDBH-UHFFFAOYSA-N 1 0 308.740 3.986 20 5 DHBDRO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000237001874 340667311 /nfs/dbraw/zinc/66/73/11/340667311.db2.gz QILCYERTDDTMPY-NSHDSACASA-N 1 0 304.346 3.752 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000322677720 340705807 /nfs/dbraw/zinc/70/58/07/340705807.db2.gz HJRONPLUMZHNDI-GOSISDBHSA-N 1 0 312.369 3.510 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000539058349 340868944 /nfs/dbraw/zinc/86/89/44/340868944.db2.gz DHAOFICBOSWVCX-DAYGRLMNSA-N 1 0 320.433 3.885 20 5 DHBDRO COc1cc(F)cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539061571 340869369 /nfs/dbraw/zinc/86/93/69/340869369.db2.gz WEQIMBMTSUDMKV-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000539234411 340877723 /nfs/dbraw/zinc/87/77/23/340877723.db2.gz RUSUACGUUMWUBX-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000540191617 340922603 /nfs/dbraw/zinc/92/26/03/340922603.db2.gz RNSLNBJXEHEYGW-DIFFPNOSSA-N 1 0 300.333 3.757 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCc1ccco1 ZINC000129606947 340975535 /nfs/dbraw/zinc/97/55/35/340975535.db2.gz OJIROHXNIOWDPV-RHSMWYFYSA-N 1 0 314.385 3.731 20 5 DHBDRO C[C@@H]([NH2+]CCCNc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000542489185 341010104 /nfs/dbraw/zinc/01/01/04/341010104.db2.gz YMVNMIWCONDFIJ-CYBMUJFWSA-N 1 0 317.364 3.887 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000542516847 341011599 /nfs/dbraw/zinc/01/15/99/341011599.db2.gz LHXPHDYGQNFBMQ-AWEZNQCLSA-N 1 0 314.385 3.572 20 5 DHBDRO CCc1cnc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000130282660 341013120 /nfs/dbraw/zinc/01/31/20/341013120.db2.gz XKIDMNYLZWZLET-LBPRGKRZSA-N 1 0 319.430 3.815 20 5 DHBDRO COc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000542699299 341017783 /nfs/dbraw/zinc/01/77/83/341017783.db2.gz GLASOUDRFNNLNW-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000543704459 341054335 /nfs/dbraw/zinc/05/43/35/341054335.db2.gz HRULFTJPEUCBSI-IUODEOHRSA-N 1 0 306.406 3.900 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCCS1)C1CC1 ZINC000544384607 341079505 /nfs/dbraw/zinc/07/95/05/341079505.db2.gz YQBHEYGBRYUULJ-CVEARBPZSA-N 1 0 320.458 3.791 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544440537 341082236 /nfs/dbraw/zinc/08/22/36/341082236.db2.gz SNSRTRIXSNYNIN-RRQGHBQHSA-N 1 0 320.433 3.693 20 5 DHBDRO COc1ccc(OCC[NH2+][C@@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000564287858 341117846 /nfs/dbraw/zinc/11/78/46/341117846.db2.gz QWDCEFNGILPFHW-ZDUSSCGKSA-N 1 0 322.405 3.541 20 5 DHBDRO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000564303888 341172826 /nfs/dbraw/zinc/17/28/26/341172826.db2.gz GLSIAKUOTNTOBO-UHFFFAOYSA-N 1 0 314.385 3.942 20 5 DHBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000547853026 341237792 /nfs/dbraw/zinc/23/77/92/341237792.db2.gz UYBCNMUDUWFVAX-UHFFFAOYSA-N 1 0 324.384 3.883 20 5 DHBDRO CC(C)C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)C ZINC000548180591 341252033 /nfs/dbraw/zinc/25/20/33/341252033.db2.gz UUVDKEOGIFLWPH-UHFFFAOYSA-N 1 0 304.394 3.585 20 5 DHBDRO Cc1ccc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000548990735 341282979 /nfs/dbraw/zinc/28/29/79/341282979.db2.gz IHLAFVCIIPHYSF-KBPBESRZSA-N 1 0 306.406 3.587 20 5 DHBDRO CC1(C)SC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000549233415 341289151 /nfs/dbraw/zinc/28/91/51/341289151.db2.gz WVRQHIQRXUFXEZ-ZIAGYGMSSA-N 1 0 306.431 3.801 20 5 DHBDRO C[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC000549859823 341305143 /nfs/dbraw/zinc/30/51/43/341305143.db2.gz BJKLYOQHAMQFQH-NXEZZACHSA-N 1 0 302.296 3.701 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000550063120 341309269 /nfs/dbraw/zinc/30/92/69/341309269.db2.gz GGPUTEGRWGOJLK-QAPCUYQASA-N 1 0 320.433 3.695 20 5 DHBDRO C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000245845838 341315947 /nfs/dbraw/zinc/31/59/47/341315947.db2.gz IJNBQLTZYIPSSE-OLZOCXBDSA-N 1 0 315.373 3.870 20 5 DHBDRO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000551308055 341338028 /nfs/dbraw/zinc/33/80/28/341338028.db2.gz JSMBXDIWDYTOCN-KFWWJZLASA-N 1 0 320.437 3.691 20 5 DHBDRO Cc1n[nH]cc1C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000551426627 341341534 /nfs/dbraw/zinc/34/15/34/341341534.db2.gz DDIURCZIMYUOPG-CYBMUJFWSA-N 1 0 314.389 3.567 20 5 DHBDRO COCc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000268782013 341603920 /nfs/dbraw/zinc/60/39/20/341603920.db2.gz QANQLSKEOLKRSX-AWEZNQCLSA-N 1 0 314.385 3.900 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000268958150 341605885 /nfs/dbraw/zinc/60/58/85/341605885.db2.gz HGPBYWSQYMCLFP-HNNXBMFYSA-N 1 0 304.390 3.566 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](C3CC3)C3CCC3)c2c1 ZINC000576109873 341827457 /nfs/dbraw/zinc/82/74/57/341827457.db2.gz OFSLCTVFDDNNSF-SFHVURJKSA-N 1 0 313.401 3.787 20 5 DHBDRO C[C@H](CCOCc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000342249635 341836505 /nfs/dbraw/zinc/83/65/05/341836505.db2.gz PBSVTZWUZHQJJZ-CYBMUJFWSA-N 1 0 320.414 3.741 20 5 DHBDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000576478865 341848587 /nfs/dbraw/zinc/84/85/87/341848587.db2.gz FORAIHWOHJQSOL-YVEFUNNKSA-N 1 0 312.369 3.942 20 5 DHBDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000177578794 341921435 /nfs/dbraw/zinc/92/14/35/341921435.db2.gz FPANHJXOZXXFPD-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1c(C)noc1C ZINC000577963088 341959629 /nfs/dbraw/zinc/95/96/29/341959629.db2.gz OFTULOUZKYMVER-CABCVRRESA-N 1 0 315.373 3.928 20 5 DHBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000364998084 521353765 /nfs/dbraw/zinc/35/37/65/521353765.db2.gz FDYUDOYBFHVTHS-QGZVFWFLSA-N 1 0 311.385 3.889 20 5 DHBDRO CCc1nc(CC[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000157128316 522281804 /nfs/dbraw/zinc/28/18/04/522281804.db2.gz ZOABVEUPTLHUDJ-HNNXBMFYSA-N 1 0 319.430 3.897 20 5 DHBDRO CC[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000156989186 522624832 /nfs/dbraw/zinc/62/48/32/522624832.db2.gz ZQLXYNOWUGXNNL-GOEBONIOSA-N 1 0 320.414 3.605 20 5 DHBDRO CC[C@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000156988877 522639327 /nfs/dbraw/zinc/63/93/27/522639327.db2.gz ZQLXYNOWUGXNNL-HOCLYGCPSA-N 1 0 320.414 3.605 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccnc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000181542838 522887402 /nfs/dbraw/zinc/88/74/02/522887402.db2.gz VBFMIMLLUILKGL-CQSZACIVSA-N 1 0 305.765 3.884 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000151031264 525365949 /nfs/dbraw/zinc/36/59/49/525365949.db2.gz OLXBDBPUTOPJCH-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266776848 525411510 /nfs/dbraw/zinc/41/15/10/525411510.db2.gz BVOHDLAQGYOKNP-BLLLJJGKSA-N 1 0 319.430 3.610 20 5 DHBDRO C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000156217538 525442964 /nfs/dbraw/zinc/44/29/64/525442964.db2.gz SSLGNWQOBSCYSO-CYBMUJFWSA-N 1 0 324.384 3.755 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000266748322 525496510 /nfs/dbraw/zinc/49/65/10/525496510.db2.gz BURMJPRUOJQRIL-BZNIZROVSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000267431664 525683996 /nfs/dbraw/zinc/68/39/96/525683996.db2.gz MQKXFGIEGXTMGB-ZBFHGGJFSA-N 1 0 311.385 3.524 20 5 DHBDRO Cc1c(C[NH+]2CCC(OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000162238049 525706272 /nfs/dbraw/zinc/70/62/72/525706272.db2.gz LFDINMGTCPXJHM-UHFFFAOYSA-N 1 0 306.406 3.683 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000339446582 525849195 /nfs/dbraw/zinc/84/91/95/525849195.db2.gz CLSYTJKACMMQBT-HOCLYGCPSA-N 1 0 302.399 3.940 20 5 DHBDRO CS[C@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127946020 525884413 /nfs/dbraw/zinc/88/44/13/525884413.db2.gz XFMOPVJLOUWIKB-SNVBAGLBSA-N 1 0 323.443 3.559 20 5 DHBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000130690051 525977355 /nfs/dbraw/zinc/97/73/55/525977355.db2.gz ALXBZHWSNQNHHM-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO COc1cccc(NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000337230349 526207958 /nfs/dbraw/zinc/20/79/58/526207958.db2.gz IHVUUZDVSHADPK-UHFFFAOYSA-N 1 0 309.410 3.524 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000265985599 527354982 /nfs/dbraw/zinc/35/49/82/527354982.db2.gz CVRXCWDWRCDRDC-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC2=CCCC2)c1 ZINC000338198294 527370538 /nfs/dbraw/zinc/37/05/38/527370538.db2.gz WGIZKVGXAAFJNC-UHFFFAOYSA-N 1 0 312.316 3.786 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCOC2)s1 ZINC000237957124 527396639 /nfs/dbraw/zinc/39/66/39/527396639.db2.gz JWKWZVQDPZOUQF-LBPRGKRZSA-N 1 0 318.398 3.592 20 5 DHBDRO CCSc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000274409381 535742998 /nfs/dbraw/zinc/74/29/98/535742998.db2.gz HWUWZIIPBSIYIB-UHFFFAOYSA-N 1 0 302.399 3.997 20 5 DHBDRO CC[C@H]([NH2+]CCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000274206420 535900714 /nfs/dbraw/zinc/90/07/14/535900714.db2.gz MLQGBXGCTIIPDC-KRWDZBQOSA-N 1 0 306.406 3.842 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000359864665 1013054243 /nfs/dbraw/zinc/05/42/43/1013054243.db2.gz BMYWKTAFUCRTKB-ULQDDVLXSA-N 1 0 304.390 3.593 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000336876315 1013102009 /nfs/dbraw/zinc/10/20/09/1013102009.db2.gz RHHFGMNLVBCKBN-KRWDZBQOSA-N 1 0 314.385 3.887 20 5 DHBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000086585947 1013107175 /nfs/dbraw/zinc/10/71/75/1013107175.db2.gz DJXAPBBHSOAGPJ-UHFFFAOYSA-N 1 0 306.749 3.547 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000154960226 1013115458 /nfs/dbraw/zinc/11/54/58/1013115458.db2.gz YQTUITZZUWUFHD-ZDUSSCGKSA-N 1 0 300.358 3.502 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000449735340 1017335008 /nfs/dbraw/zinc/33/50/08/1017335008.db2.gz TWACHGYBKASDFB-INIZCTEOSA-N 1 0 306.431 3.622 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000740017848 1013418828 /nfs/dbraw/zinc/41/88/28/1013418828.db2.gz CMBBZBVDBRZOBR-SJORKVTESA-N 1 0 320.433 3.833 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000356721351 1013472521 /nfs/dbraw/zinc/47/25/21/1013472521.db2.gz GSODYQFQDHXMTK-JQFCIGGWSA-N 1 0 306.406 3.983 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000336890493 1013539205 /nfs/dbraw/zinc/53/92/05/1013539205.db2.gz HJMSTFNOEVCCFN-DOTOQJQBSA-N 1 0 312.369 3.639 20 5 DHBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000176981773 1013693815 /nfs/dbraw/zinc/69/38/15/1013693815.db2.gz DOYRVBMTOIKESM-UHFFFAOYSA-N 1 0 311.341 3.758 20 5 DHBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)C(C)C ZINC000118833249 1013707803 /nfs/dbraw/zinc/70/78/03/1013707803.db2.gz MXQAPOMDPXKKRM-AWEZNQCLSA-N 1 0 321.421 3.598 20 5 DHBDRO Cc1c(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cccc1[N+](=O)[O-] ZINC000441434349 1013834236 /nfs/dbraw/zinc/83/42/36/1013834236.db2.gz JJFWNTXNORIKMJ-KRWDZBQOSA-N 1 0 318.417 3.827 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ncccc1F)CCCC2 ZINC000520547077 1014333756 /nfs/dbraw/zinc/33/37/56/1014333756.db2.gz PJYDGGZCCVDVIQ-INIZCTEOSA-N 1 0 315.348 3.686 20 5 DHBDRO CC[C@H](C)[C@H](C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000520592049 1014361435 /nfs/dbraw/zinc/36/14/35/1014361435.db2.gz QQVRYINRDAJNFL-KBPBESRZSA-N 1 0 306.406 3.873 20 5 DHBDRO CC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000175869230 1014371326 /nfs/dbraw/zinc/37/13/26/1014371326.db2.gz YLDHSVZQTYECCH-UHFFFAOYSA-N 1 0 317.414 3.998 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000323050720 1014518716 /nfs/dbraw/zinc/51/87/16/1014518716.db2.gz GWPHPVRTXMNCFU-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000442831591 1014746095 /nfs/dbraw/zinc/74/60/95/1014746095.db2.gz AZPMCKGOUBQUAG-CABCVRRESA-N 1 0 324.808 3.686 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000610505475 1014808658 /nfs/dbraw/zinc/80/86/58/1014808658.db2.gz MBZSGYKTQTTWEW-QGZVFWFLSA-N 1 0 300.333 3.723 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](O)C(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000320173373 1014948399 /nfs/dbraw/zinc/94/83/99/1014948399.db2.gz JXZNXRTUTWZSFY-IRXDYDNUSA-N 1 0 308.422 3.823 20 5 DHBDRO CCC[C@@H]([NH2+]CC1(CCO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000361806292 1032106048 /nfs/dbraw/zinc/10/60/48/1032106048.db2.gz GYPAKQQYJQIYPN-QGZVFWFLSA-N 1 0 320.433 3.968 20 5 DHBDRO C[C@H]([NH2+]CCCN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000320176938 1014958749 /nfs/dbraw/zinc/95/87/49/1014958749.db2.gz NRHJYFBPDJBNBO-HNNXBMFYSA-N 1 0 313.401 3.772 20 5 DHBDRO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581556929 1014995298 /nfs/dbraw/zinc/99/52/98/1014995298.db2.gz VXPUUJRAXBPUJW-GOEBONIOSA-N 1 0 311.385 3.849 20 5 DHBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000358367897 1015030543 /nfs/dbraw/zinc/03/05/43/1015030543.db2.gz LPMAADZYXJLCJP-KRWDZBQOSA-N 1 0 314.385 3.887 20 5 DHBDRO CC(C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(F)F ZINC000895534193 1015192556 /nfs/dbraw/zinc/19/25/56/1015192556.db2.gz HDQCYFLMWYSUQF-UHFFFAOYSA-N 1 0 313.304 3.507 20 5 DHBDRO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000581676625 1015203947 /nfs/dbraw/zinc/20/39/47/1015203947.db2.gz CCHLPFDCHQGLNM-UMPJEAMMSA-N 1 0 318.417 3.765 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1[N+](=O)[O-] ZINC000237316365 1015237487 /nfs/dbraw/zinc/23/74/87/1015237487.db2.gz GVQXOTDOPZBDDF-CYBMUJFWSA-N 1 0 318.398 3.832 20 5 DHBDRO Cc1c(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000895662930 1015247882 /nfs/dbraw/zinc/24/78/82/1015247882.db2.gz TZOISGPSRAKOIE-QGZVFWFLSA-N 1 0 314.385 3.505 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000090909855 1015297895 /nfs/dbraw/zinc/29/78/95/1015297895.db2.gz XDNMJDPFSDFALZ-OAHLLOKOSA-N 1 0 302.399 3.866 20 5 DHBDRO CN(Cc1ccccc1[N+](=O)[O-])Cc1nccc2c1CCCC2 ZINC000891621266 1015460588 /nfs/dbraw/zinc/46/05/88/1015460588.db2.gz OFNRHVRTCWVVFZ-UHFFFAOYSA-N 1 0 311.385 3.501 20 5 DHBDRO CC(C)([NH2+]CC1=Cc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000175986228 1015544849 /nfs/dbraw/zinc/54/48/49/1015544849.db2.gz ZPNRQXOWAOXEKX-UHFFFAOYSA-N 1 0 324.380 3.896 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3C4CCCC3CCC4)nc2c1 ZINC000610582738 1015636348 /nfs/dbraw/zinc/63/63/48/1015636348.db2.gz SWXRDBXJLVWQEV-UHFFFAOYSA-N 1 0 301.346 3.643 20 5 DHBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000341701832 1015682806 /nfs/dbraw/zinc/68/28/06/1015682806.db2.gz JSXQSLKNYLEGKN-HNNXBMFYSA-N 1 0 316.405 3.514 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@](C)(O)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361886903 1032141454 /nfs/dbraw/zinc/14/14/54/1032141454.db2.gz NNCLIGYSSIEERJ-SJORKVTESA-N 1 0 308.422 3.823 20 5 DHBDRO C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178532461 1016326694 /nfs/dbraw/zinc/32/66/94/1016326694.db2.gz OHRGGJJWTJOJLB-CZUORRHYSA-N 1 0 307.438 3.612 20 5 DHBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183817983 1016356249 /nfs/dbraw/zinc/35/62/49/1016356249.db2.gz SCXFKUSLRWXUJK-JTQLQIEISA-N 1 0 300.786 3.541 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000119913355 1016427369 /nfs/dbraw/zinc/42/73/69/1016427369.db2.gz MMLQSNKZKKAEIN-GOSISDBHSA-N 1 0 313.401 3.902 20 5 DHBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000178564543 1016641574 /nfs/dbraw/zinc/64/15/74/1016641574.db2.gz HWTQNKHXJVZTAY-ZBEGNZNMSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@H]1CSCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338999675 1016789671 /nfs/dbraw/zinc/78/96/71/1016789671.db2.gz FQGGHMYLSQWECF-VIFPVBQESA-N 1 0 320.336 3.551 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000896950602 1016955386 /nfs/dbraw/zinc/95/53/86/1016955386.db2.gz DOZWYOFLMLRGBY-CABZTGNLSA-N 1 0 300.811 3.622 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC001168528465 1016962273 /nfs/dbraw/zinc/96/22/73/1016962273.db2.gz DOVHIGBMZFJYNF-KRWDZBQOSA-N 1 0 314.360 3.845 20 5 DHBDRO Cc1cc([N+](=O)[O-])cnc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000080247675 1032211375 /nfs/dbraw/zinc/21/13/75/1032211375.db2.gz PLYJWXNSVGJYHT-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000537629294 1032362835 /nfs/dbraw/zinc/36/28/35/1032362835.db2.gz QUOORJVXOJHVQK-LBPRGKRZSA-N 1 0 316.357 3.848 20 5 DHBDRO C[C@@H](O[C@@H](C)C[N+](C)(C)C)c1ccc(Br)cc1 ZINC001224104862 1032524250 /nfs/dbraw/zinc/52/42/50/1032524250.db2.gz UPPYGMNWAFMENQ-NWDGAFQWSA-N 1 0 301.248 3.621 20 5 DHBDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000773066620 1032545491 /nfs/dbraw/zinc/54/54/91/1032545491.db2.gz WGEAIPIQEFFKLM-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000773066618 1032545512 /nfs/dbraw/zinc/54/55/12/1032545512.db2.gz WGEAIPIQEFFKLM-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000773141928 1032574332 /nfs/dbraw/zinc/57/43/32/1032574332.db2.gz YIDOLKMFKARWMD-FDEJFUCISA-N 1 0 324.471 3.625 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000034996513 1011957707 /nfs/dbraw/zinc/95/77/07/1011957707.db2.gz MQZXNGUENHOMBZ-HNNXBMFYSA-N 1 0 300.383 3.922 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3c2cccc3F)cc1 ZINC000317166498 1011967516 /nfs/dbraw/zinc/96/75/16/1011967516.db2.gz SPLUEMNBVNEPOH-QGZVFWFLSA-N 1 0 300.333 3.554 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(O)cc1 ZINC000514784947 1012439219 /nfs/dbraw/zinc/43/92/19/1012439219.db2.gz BENMHRUEBQMIJZ-UVTDQMKNSA-N 1 0 312.369 3.836 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000515379581 1012615585 /nfs/dbraw/zinc/61/55/85/1012615585.db2.gz HJQOIASGPZGEKD-DZGCQCFKSA-N 1 0 324.808 3.639 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000515550905 1012659770 /nfs/dbraw/zinc/65/97/70/1012659770.db2.gz WMZMCVFHXFDCTP-GASCZTMLSA-N 1 0 305.422 3.765 20 5 DHBDRO C[C@H](c1ccccc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000515675385 1012694066 /nfs/dbraw/zinc/69/40/66/1012694066.db2.gz ZKRLGRQJUKRVHK-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000608973682 1012779301 /nfs/dbraw/zinc/77/93/01/1012779301.db2.gz DUMFFAHCAHXTMP-UHFFFAOYSA-N 1 0 313.401 3.683 20 5 DHBDRO CCC[C@H](N[C@@H](C)C[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000336852406 1012949596 /nfs/dbraw/zinc/94/95/96/1012949596.db2.gz QCNPHZLUTVJKBN-YOEHRIQHSA-N 1 0 307.438 3.756 20 5 DHBDRO CCC[C@@H](N[C@H](C)C[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000336852404 1012951350 /nfs/dbraw/zinc/95/13/50/1012951350.db2.gz QCNPHZLUTVJKBN-RHSMWYFYSA-N 1 0 307.438 3.756 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000128065808 1017140131 /nfs/dbraw/zinc/14/01/31/1017140131.db2.gz RABGTTDLUXSWFS-GOSISDBHSA-N 1 0 312.369 3.715 20 5 DHBDRO COc1cccc(NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000475357721 1017168755 /nfs/dbraw/zinc/16/87/55/1017168755.db2.gz XFBVZIIOEFATLD-CQSZACIVSA-N 1 0 321.421 3.670 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cnccc1C ZINC000475555170 1017425290 /nfs/dbraw/zinc/42/52/90/1017425290.db2.gz LIOCZIPFUDZMBW-NTEUORMPSA-N 1 0 311.385 3.834 20 5 DHBDRO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000178656194 1017562399 /nfs/dbraw/zinc/56/23/99/1017562399.db2.gz GXPVBDPEAOHRJY-ZIAGYGMSSA-N 1 0 300.358 3.713 20 5 DHBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444609443 1017587665 /nfs/dbraw/zinc/58/76/65/1017587665.db2.gz NCQPGHHXESBWSV-NWDGAFQWSA-N 1 0 316.405 3.870 20 5 DHBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686034 1017614543 /nfs/dbraw/zinc/61/45/43/1017614543.db2.gz ULCWXQKDKIPMGE-CYBMUJFWSA-N 1 0 324.384 3.939 20 5 DHBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCC[C@@H]1C ZINC000444673656 1017623738 /nfs/dbraw/zinc/62/37/38/1017623738.db2.gz IITMKKQMGSHJPO-LRDDRELGSA-N 1 0 316.405 3.872 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC4(CCCC4)CC3)nc2c1 ZINC000083207114 1017627103 /nfs/dbraw/zinc/62/71/03/1017627103.db2.gz WVDVQPOUAPUZCT-UHFFFAOYSA-N 1 0 315.373 3.892 20 5 DHBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444687459 1017632250 /nfs/dbraw/zinc/63/22/50/1017632250.db2.gz VDGYSJIMJFMHFN-KBPBESRZSA-N 1 0 316.405 3.776 20 5 DHBDRO C[C@@H]1c2ccccc2CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001167622870 1017673437 /nfs/dbraw/zinc/67/34/37/1017673437.db2.gz ZVVKVNRYUCNTAF-CQSZACIVSA-N 1 0 312.369 3.593 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC12CCC2 ZINC000444775949 1017675009 /nfs/dbraw/zinc/67/50/09/1017675009.db2.gz BIQQDVPJCGWTLI-UHFFFAOYSA-N 1 0 304.390 3.901 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC000926914644 1032716381 /nfs/dbraw/zinc/71/63/81/1032716381.db2.gz BPPVFPPEYAQOPQ-KBRIMQKVSA-N 1 0 304.390 3.513 20 5 DHBDRO CCC[C@@H]([NH2+]C1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268747282 1017709706 /nfs/dbraw/zinc/70/97/06/1017709706.db2.gz VOONZCWTJXYNGN-QGZVFWFLSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000127316986 1017954010 /nfs/dbraw/zinc/95/40/10/1017954010.db2.gz KSCXFWKDCRVYEW-ZIAGYGMSSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1nc(C)c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000040518619 1018178370 /nfs/dbraw/zinc/17/83/70/1018178370.db2.gz QYOZWQYPBGPTNS-SNVBAGLBSA-N 1 0 305.403 3.827 20 5 DHBDRO CC[C@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000561358274 1018223117 /nfs/dbraw/zinc/22/31/17/1018223117.db2.gz YFKMBJYKACGQRK-WFASDCNBSA-N 1 0 303.362 3.729 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(F)cc2Cl)cc1 ZINC000040676139 1018229821 /nfs/dbraw/zinc/22/98/21/1018229821.db2.gz XWACYFQYWBRSKS-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000152258261 1018304093 /nfs/dbraw/zinc/30/40/93/1018304093.db2.gz VTFDBYRLRAYTSH-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO Cc1nn(C[N@@H+](C)C2CCC(C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764889949 1018412253 /nfs/dbraw/zinc/41/22/53/1018412253.db2.gz QTERMXKTGLNDPB-UHFFFAOYSA-N 1 0 316.405 3.721 20 5 DHBDRO Cc1nn(C[N@H+](C2CC2)C2CCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764891062 1018414805 /nfs/dbraw/zinc/41/48/05/1018414805.db2.gz QBOJRKSFFIFISN-UHFFFAOYSA-N 1 0 314.389 3.617 20 5 DHBDRO C[C@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCS1 ZINC000447588016 1018430163 /nfs/dbraw/zinc/43/01/63/1018430163.db2.gz SHWIYOVJCYMJIG-HZPDHXFCSA-N 1 0 306.431 3.848 20 5 DHBDRO C[C@@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCS1 ZINC000447588015 1018430399 /nfs/dbraw/zinc/43/03/99/1018430399.db2.gz SHWIYOVJCYMJIG-HOTGVXAUSA-N 1 0 306.431 3.848 20 5 DHBDRO Cc1nn(C[N@H+]2CC[C@H](C)C3(CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000764956292 1018436586 /nfs/dbraw/zinc/43/65/86/1018436586.db2.gz SCRSHJZSYUQVGZ-ZDUSSCGKSA-N 1 0 320.437 3.658 20 5 DHBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000447602696 1018442595 /nfs/dbraw/zinc/44/25/95/1018442595.db2.gz VIELOELMHWBUIK-LJIZCISZSA-N 1 0 320.437 3.689 20 5 DHBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228150869 1018452958 /nfs/dbraw/zinc/45/29/58/1018452958.db2.gz BYMLCDUXFUCJQN-SECBINFHSA-N 1 0 319.188 3.763 20 5 DHBDRO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000042977588 1018508938 /nfs/dbraw/zinc/50/89/38/1018508938.db2.gz ASRLUAASKKMYOU-UHFFFAOYSA-N 1 0 322.311 3.828 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@]23CCC[C@H]2OCC3)cccc1[N+](=O)[O-] ZINC000926919931 1032775351 /nfs/dbraw/zinc/77/53/51/1032775351.db2.gz QHXBGOOBTBFOQA-IAOVAPTHSA-N 1 0 304.390 3.513 20 5 DHBDRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984992 1018599993 /nfs/dbraw/zinc/59/99/93/1018599993.db2.gz UTWLJFHLCPJBKU-MLGOLLRUSA-N 1 0 300.358 3.786 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278375526 1018630592 /nfs/dbraw/zinc/63/05/92/1018630592.db2.gz LDGDFWLQDGPNFT-LLVKDONJSA-N 1 0 302.296 3.678 20 5 DHBDRO CO[C@H](C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000338708377 1018768152 /nfs/dbraw/zinc/76/81/52/1018768152.db2.gz OQYWNPIZJGUVDP-GFCCVEGCSA-N 1 0 320.414 3.838 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000921819251 1018899412 /nfs/dbraw/zinc/89/94/12/1018899412.db2.gz WUYUTGBSQFHFOX-QGZVFWFLSA-N 1 0 314.389 3.757 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000921815941 1018899841 /nfs/dbraw/zinc/89/98/41/1018899841.db2.gz CNJVHCZGEGPTJP-QMCVQRASSA-N 1 0 318.417 3.759 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCCCSC)cc1[N+](=O)[O-] ZINC000153880157 1018937890 /nfs/dbraw/zinc/93/78/90/1018937890.db2.gz IWLWYQFPHQZFOU-GFCCVEGCSA-N 1 0 312.435 3.787 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccc(F)cc21 ZINC000584125733 1018964576 /nfs/dbraw/zinc/96/45/76/1018964576.db2.gz YVFXODSLLMLNLD-SFHVURJKSA-N 1 0 314.360 3.896 20 5 DHBDRO COCC(C)(C)CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000573161813 1019049042 /nfs/dbraw/zinc/04/90/42/1019049042.db2.gz KBUGZBWICDZEKX-TWGQIWQCSA-N 1 0 306.406 3.650 20 5 DHBDRO O[C@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)[C@H]1CCCO1 ZINC000858227514 1032810220 /nfs/dbraw/zinc/81/02/20/1032810220.db2.gz URIXFBOTSNWRKC-NHCUHLMSSA-N 1 0 321.420 3.623 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1ccccc1[N+](=O)[O-] ZINC000921968037 1019232514 /nfs/dbraw/zinc/23/25/14/1019232514.db2.gz VZQPBLZYPLECRF-STQMWFEESA-N 1 0 312.369 3.769 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000611071892 1019392850 /nfs/dbraw/zinc/39/28/50/1019392850.db2.gz IVMXDUXJVLOCTK-KRWDZBQOSA-N 1 0 318.323 3.693 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccccn2)CC1 ZINC000611090541 1019397856 /nfs/dbraw/zinc/39/78/56/1019397856.db2.gz HMSYSGSQJHARDT-CQSZACIVSA-N 1 0 311.385 3.930 20 5 DHBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000611299903 1019440690 /nfs/dbraw/zinc/44/06/90/1019440690.db2.gz OGVVFZMDAYLGNA-LSDHHAIUSA-N 1 0 313.401 3.970 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611350529 1019451108 /nfs/dbraw/zinc/45/11/08/1019451108.db2.gz PUROKMXYMLLHJT-PMPSAXMXSA-N 1 0 318.417 3.794 20 5 DHBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000611370559 1019455687 /nfs/dbraw/zinc/45/56/87/1019455687.db2.gz QTFZEUIRFGVCMF-AWEZNQCLSA-N 1 0 323.462 3.605 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C(C)C)C(C)C ZINC000611434117 1019482629 /nfs/dbraw/zinc/48/26/29/1019482629.db2.gz OQDNQAYCXURSSJ-UHFFFAOYSA-N 1 0 321.421 3.502 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000611442197 1019487874 /nfs/dbraw/zinc/48/78/74/1019487874.db2.gz MUEXKOMBPPQLKT-LBPRGKRZSA-N 1 0 310.357 3.630 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(Cl)o1)C1CC1 ZINC000611466085 1019492433 /nfs/dbraw/zinc/49/24/33/1019492433.db2.gz XCJTWGZFAJYNES-CQSZACIVSA-N 1 0 320.776 3.952 20 5 DHBDRO COc1ccc(-c2ccc(C[N@H+]3CC=CCC3)o2)c([N+](=O)[O-])c1 ZINC000611521255 1019507885 /nfs/dbraw/zinc/50/78/85/1019507885.db2.gz YATKDKWCGXRXLA-UHFFFAOYSA-N 1 0 314.341 3.625 20 5 DHBDRO CCOc1cc(NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000092626548 1019523775 /nfs/dbraw/zinc/52/37/75/1019523775.db2.gz WFUZCEAYZJDULS-CQSZACIVSA-N 1 0 321.421 3.526 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1ccc([N+](=O)[O-])cc1 ZINC000922149378 1019531532 /nfs/dbraw/zinc/53/15/32/1019531532.db2.gz JYLRBWHGYWTPNQ-STQMWFEESA-N 1 0 312.369 3.769 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000282187645 1019577674 /nfs/dbraw/zinc/57/76/74/1019577674.db2.gz WHZSDFHWAPLOGW-PBHICJAKSA-N 1 0 318.417 3.903 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000079121379 1019674984 /nfs/dbraw/zinc/67/49/84/1019674984.db2.gz ITNSCZLHVKAAJV-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000765768401 1019812737 /nfs/dbraw/zinc/81/27/37/1019812737.db2.gz OIVLJFWLIFUIRC-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC001171752665 1032857817 /nfs/dbraw/zinc/85/78/17/1032857817.db2.gz VZAXOYPTLWYJSM-HNNXBMFYSA-N 1 0 304.390 3.628 20 5 DHBDRO COc1ccc(C[NH2+]C(C)(C)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000130451922 1032866477 /nfs/dbraw/zinc/86/64/77/1032866477.db2.gz HEZRUNUCLONTKE-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000317150130 1019960608 /nfs/dbraw/zinc/96/06/08/1019960608.db2.gz TYFGBNMLMWEFGQ-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000317376931 1019977441 /nfs/dbraw/zinc/97/74/41/1019977441.db2.gz HWZMPXVHGVFPLY-ZJUUUORDSA-N 1 0 317.311 3.508 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000730432216 1019987607 /nfs/dbraw/zinc/98/76/07/1019987607.db2.gz AEORMBHOQYQHEQ-LBPRGKRZSA-N 1 0 318.323 3.863 20 5 DHBDRO CCC[C@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264175442 1032867149 /nfs/dbraw/zinc/86/71/49/1032867149.db2.gz ISOBVKMLQWXVEI-ZDUSSCGKSA-N 1 0 317.389 3.913 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000317910302 1020018798 /nfs/dbraw/zinc/01/87/98/1020018798.db2.gz KLBOSPKHOWTJNR-HUUCEWRRSA-N 1 0 306.406 3.908 20 5 DHBDRO CC(C)[C@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264185212 1032871674 /nfs/dbraw/zinc/87/16/74/1032871674.db2.gz LAKAAVYXIVIEPF-ZDUSSCGKSA-N 1 0 317.389 3.769 20 5 DHBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000555099020 1020084566 /nfs/dbraw/zinc/08/45/66/1020084566.db2.gz JIDTYSHGHRFFDL-GQSKFBFOSA-N 1 0 318.417 3.888 20 5 DHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)C ZINC000264196295 1032874145 /nfs/dbraw/zinc/87/41/45/1032874145.db2.gz OFLHMZUAJJCXRN-UHFFFAOYSA-N 1 0 317.389 3.770 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC001168604346 1020105466 /nfs/dbraw/zinc/10/54/66/1020105466.db2.gz NSQQIANUKHOQDL-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO CO[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)(C)C ZINC000154908300 1020164573 /nfs/dbraw/zinc/16/45/73/1020164573.db2.gz ZSXKYCCFONGWCV-NVXWUHKLSA-N 1 0 320.433 3.567 20 5 DHBDRO Cc1ccc(C[N@@H+](CCc2nccs2)C(C)C)cc1[N+](=O)[O-] ZINC000093764170 1020171897 /nfs/dbraw/zinc/17/18/97/1020171897.db2.gz DWYMUAYWPNQSPG-UHFFFAOYSA-N 1 0 319.430 3.813 20 5 DHBDRO CC(C)OC1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155160744 1020194980 /nfs/dbraw/zinc/19/49/80/1020194980.db2.gz MKVRZLUEFNIMFV-BZOOQXSSSA-N 1 0 306.406 3.982 20 5 DHBDRO COc1ccc([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000155214368 1020200606 /nfs/dbraw/zinc/20/06/06/1020200606.db2.gz KDOVMHKWTCLOQE-MRXNPFEDSA-N 1 0 312.369 3.593 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922691686 1020216201 /nfs/dbraw/zinc/21/62/01/1020216201.db2.gz FFTDBROMNKJTRO-NIAZTZROSA-N 1 0 316.401 3.547 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000330650333 1020237744 /nfs/dbraw/zinc/23/77/44/1020237744.db2.gz JNUWPURMLNYENP-JJRVBVJISA-N 1 0 306.406 3.757 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000124957641 1020246399 /nfs/dbraw/zinc/24/63/99/1020246399.db2.gz NDCTVGFQOSJLAY-JJAZEVLHSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCCOC2CCCC2)cc1[N+](=O)[O-] ZINC000125260694 1020284471 /nfs/dbraw/zinc/28/44/71/1020284471.db2.gz STJIRXBIPQRASI-AWEZNQCLSA-N 1 0 306.406 3.903 20 5 DHBDRO CC[C@@H]([NH2+]CCCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000125308776 1020287090 /nfs/dbraw/zinc/28/70/90/1020287090.db2.gz WIDYWUFXSIWFJP-QGZVFWFLSA-N 1 0 306.406 3.985 20 5 DHBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000122921503 1020307671 /nfs/dbraw/zinc/30/76/71/1020307671.db2.gz WQQZEVVWWOLDNH-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCSC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000922845246 1020309392 /nfs/dbraw/zinc/30/93/92/1020309392.db2.gz KRZKCBVXRIDEPW-ZDUSSCGKSA-N 1 0 322.430 3.511 20 5 DHBDRO Cc1cc(N[C@H]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000125929905 1020361993 /nfs/dbraw/zinc/36/19/93/1020361993.db2.gz ODZINKYAHKFHOE-LBPRGKRZSA-N 1 0 315.373 3.821 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000692469995 1020433779 /nfs/dbraw/zinc/43/37/79/1020433779.db2.gz WKYNKXKBYKXIMD-LLVKDONJSA-N 1 0 300.811 3.624 20 5 DHBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179704931 1020433849 /nfs/dbraw/zinc/43/38/49/1020433849.db2.gz NVVMAWOJTJQMLM-PYJQOMOHSA-N 1 0 311.385 3.784 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000480619921 1020466380 /nfs/dbraw/zinc/46/63/80/1020466380.db2.gz BLHQOLWCUVTHIU-YCPHGPKFSA-N 1 0 319.449 3.674 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000765846813 1020494116 /nfs/dbraw/zinc/49/41/16/1020494116.db2.gz YUDOQCZPCPTDMG-ROUUACIJSA-N 1 0 314.385 3.678 20 5 DHBDRO CCOc1cccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000766195176 1020515980 /nfs/dbraw/zinc/51/59/80/1020515980.db2.gz YYRFANKWUNVGEQ-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000179863528 1020530060 /nfs/dbraw/zinc/53/00/60/1020530060.db2.gz RSJSXNXUBUHEDP-LBPRGKRZSA-N 1 0 318.398 3.544 20 5 DHBDRO Cc1ccc([C@@H](C)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000153722278 1020555674 /nfs/dbraw/zinc/55/56/74/1020555674.db2.gz RIKVHLGLHPLCEV-GDBMZVCRSA-N 1 0 317.433 3.571 20 5 DHBDRO C[C@H]([NH2+][C@H]1C[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000411775075 1020599886 /nfs/dbraw/zinc/59/98/86/1020599886.db2.gz WSFLJIKGKVNYRQ-GOPGUHFVSA-N 1 0 300.333 3.941 20 5 DHBDRO COC[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000171051275 1020618258 /nfs/dbraw/zinc/61/82/58/1020618258.db2.gz FRHJEASCYDFDNE-GFCCVEGCSA-N 1 0 320.414 3.695 20 5 DHBDRO CCCCC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000734828981 1020666793 /nfs/dbraw/zinc/66/67/93/1020666793.db2.gz BJBMCAXWUVHJSW-UHFFFAOYSA-N 1 0 304.394 3.803 20 5 DHBDRO Cc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000734847600 1020667783 /nfs/dbraw/zinc/66/77/83/1020667783.db2.gz QALFQXDMULMNHT-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001218026443 1020826022 /nfs/dbraw/zinc/82/60/22/1020826022.db2.gz ZBBFQNWLDIPLHW-PELKAZGASA-N 1 0 319.188 3.669 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000613180026 1020847133 /nfs/dbraw/zinc/84/71/33/1020847133.db2.gz FERIRVVAYBWUTC-HOCLYGCPSA-N 1 0 311.385 3.615 20 5 DHBDRO C[C@@H]1C[C@@H](C)[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000740860733 1020954872 /nfs/dbraw/zinc/95/48/72/1020954872.db2.gz RJSVNIHYZCMGAE-NXEZZACHSA-N 1 0 307.375 3.560 20 5 DHBDRO COC1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000414183883 1020971600 /nfs/dbraw/zinc/97/16/00/1020971600.db2.gz OFOJKMIKTOGHDS-MKTAYPAQSA-N 1 0 318.417 3.864 20 5 DHBDRO COCC[C@@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414188055 1020975299 /nfs/dbraw/zinc/97/52/99/1020975299.db2.gz DORPHUYXWNBSOD-MLGOLLRUSA-N 1 0 306.406 3.579 20 5 DHBDRO COCC[C@@H](C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414188060 1020975314 /nfs/dbraw/zinc/97/53/14/1020975314.db2.gz DORPHUYXWNBSOD-WBMJQRKESA-N 1 0 306.406 3.579 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000414237798 1021022947 /nfs/dbraw/zinc/02/29/47/1021022947.db2.gz WWZLBPQUGFOBBA-DCGLDWPTSA-N 1 0 306.406 3.757 20 5 DHBDRO C[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276269686 1021149656 /nfs/dbraw/zinc/14/96/56/1021149656.db2.gz ZJRVJEKPWRQYTL-UTUOFQBUSA-N 1 0 316.361 3.579 20 5 DHBDRO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272185 1021214783 /nfs/dbraw/zinc/21/47/83/1021214783.db2.gz RFHNWKACIBSSGE-GOSISDBHSA-N 1 0 314.385 3.540 20 5 DHBDRO CCCC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H](C)CC ZINC000917438488 1021259844 /nfs/dbraw/zinc/25/98/44/1021259844.db2.gz WDDRQUJWJARJSR-CYBMUJFWSA-N 1 0 304.394 3.803 20 5 DHBDRO CCC[C@]1(C)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000743404569 1021287761 /nfs/dbraw/zinc/28/77/61/1021287761.db2.gz AGWDFIFGOMVMSS-QGZVFWFLSA-N 1 0 316.405 3.804 20 5 DHBDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538020849 1032979745 /nfs/dbraw/zinc/97/97/45/1032979745.db2.gz JBUNVTTXZZDLNS-DOMZBBRYSA-N 1 0 320.414 3.657 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C ZINC000154649488 1021467391 /nfs/dbraw/zinc/46/73/91/1021467391.db2.gz HPZDPQKOQCJTQD-CABCVRRESA-N 1 0 308.422 3.599 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000090857971 1021495589 /nfs/dbraw/zinc/49/55/89/1021495589.db2.gz RFZGHDNCEVCVRH-BJJXKVORSA-N 1 0 322.405 3.602 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC2SCCS2)cc1[N+](=O)[O-] ZINC000850400519 1021509841 /nfs/dbraw/zinc/50/98/41/1021509841.db2.gz GCMZFTBOHGIYND-UHFFFAOYSA-N 1 0 312.460 3.614 20 5 DHBDRO CC1(C)C[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[NH2+]1 ZINC001218477512 1021561932 /nfs/dbraw/zinc/56/19/32/1021561932.db2.gz ZJPWOHNWWMJQOW-MRVPVSSYSA-N 1 0 319.188 3.811 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850530186 1021581679 /nfs/dbraw/zinc/58/16/79/1021581679.db2.gz WMQYCLQGMODCQI-IWEFOYFVSA-N 1 0 312.369 3.732 20 5 DHBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3sccc3[N+](=O)[O-])cccc21 ZINC000618983951 1021606254 /nfs/dbraw/zinc/60/62/54/1021606254.db2.gz GZHCXURILXTJBI-GFCCVEGCSA-N 1 0 319.386 3.785 20 5 DHBDRO CC[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000556203447 1021606595 /nfs/dbraw/zinc/60/65/95/1021606595.db2.gz ODWLPDSVDQNPAK-VGWMRTNUSA-N 1 0 320.437 3.833 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000609287620 1021675013 /nfs/dbraw/zinc/67/50/13/1021675013.db2.gz DQVPZDAERMKJOA-TZMCWYRMSA-N 1 0 306.406 3.908 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000556609948 1021793955 /nfs/dbraw/zinc/79/39/55/1021793955.db2.gz WGQUYCFRBSGNBI-ZBEVKASSSA-N 1 0 316.401 3.642 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000919963794 1021986806 /nfs/dbraw/zinc/98/68/06/1021986806.db2.gz FVHFFUVSUWFOBS-OKILXGFUSA-N 1 0 323.412 3.904 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc(Cl)nc1 ZINC000122759679 1022040830 /nfs/dbraw/zinc/04/08/30/1022040830.db2.gz AOURIPSRUJYBBK-GFCCVEGCSA-N 1 0 319.792 3.845 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000337493408 1033028429 /nfs/dbraw/zinc/02/84/29/1033028429.db2.gz GSALAIFLUQASPJ-CYBMUJFWSA-N 1 0 300.333 3.723 20 5 DHBDRO Cc1cc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000195269278 1022072366 /nfs/dbraw/zinc/07/23/66/1022072366.db2.gz YKKALYBAEKORFJ-GFCCVEGCSA-N 1 0 304.346 3.534 20 5 DHBDRO CC[C@H](C)[C@H](C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776583135 1022094607 /nfs/dbraw/zinc/09/46/07/1022094607.db2.gz XQHNEDYDKVHNOY-DCGLDWPTSA-N 1 0 306.406 3.527 20 5 DHBDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584003 1022094867 /nfs/dbraw/zinc/09/48/67/1022094867.db2.gz ISTZGCKVMKWIDK-RDJZCZTQSA-N 1 0 320.433 3.776 20 5 DHBDRO CCC[C@@]1(C)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587440 1022105289 /nfs/dbraw/zinc/10/52/89/1022105289.db2.gz GNUAXSNRGSXLMB-IRXDYDNUSA-N 1 0 306.406 3.530 20 5 DHBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586610 1022109984 /nfs/dbraw/zinc/10/99/84/1022109984.db2.gz OMHZFPPPJFRZLW-JQFCIGGWSA-N 1 0 306.406 3.529 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1F ZINC000852593088 1022145179 /nfs/dbraw/zinc/14/51/79/1022145179.db2.gz CFPRBYOKNRNTRQ-KRWDZBQOSA-N 1 0 322.380 3.515 20 5 DHBDRO CC(C)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168984291 1022199341 /nfs/dbraw/zinc/19/93/41/1022199341.db2.gz LRUAGIHDYBRECQ-JQFCIGGWSA-N 1 0 308.397 3.948 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC001168958324 1022202110 /nfs/dbraw/zinc/20/21/10/1022202110.db2.gz MRYSBMVCTYWCDB-YJBOKZPZSA-N 1 0 310.397 3.811 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001168967156 1022203619 /nfs/dbraw/zinc/20/36/19/1022203619.db2.gz NTOTVZUHONCDQO-RNJRCJNSSA-N 1 0 306.450 3.626 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)C1 ZINC001168967579 1022204251 /nfs/dbraw/zinc/20/42/51/1022204251.db2.gz QZEVBIUXMGDXEX-RYUDHWBXSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)C1 ZINC001168997035 1022207377 /nfs/dbraw/zinc/20/73/77/1022207377.db2.gz XCXUKHWMGDLLPL-HOCLYGCPSA-N 1 0 322.836 3.698 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3F)CCC2)C1 ZINC001168996022 1022207747 /nfs/dbraw/zinc/20/77/47/1022207747.db2.gz UDCACXTVDYDHGI-GDBMZVCRSA-N 1 0 320.408 3.574 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCCc2ccc(Cl)cc2)C1 ZINC001168998502 1022210127 /nfs/dbraw/zinc/21/01/27/1022210127.db2.gz NTWWCNVXPKSVBU-ZBFHGGJFSA-N 1 0 310.825 3.698 20 5 DHBDRO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169006884 1022211767 /nfs/dbraw/zinc/21/17/67/1022211767.db2.gz ZPJOAECLCLSNDL-YXJHDRRASA-N 1 0 304.434 3.981 20 5 DHBDRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168986709 1022217847 /nfs/dbraw/zinc/21/78/47/1022217847.db2.gz YQAKDULCYZKYOB-XYPHTWIQSA-N 1 0 308.397 3.948 20 5 DHBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169032930 1022220181 /nfs/dbraw/zinc/22/01/81/1022220181.db2.gz AAAJEVDIHUXJMO-ZVZYQTTQSA-N 1 0 318.417 3.668 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccccc3Cl)C2)C1 ZINC001169034557 1022221904 /nfs/dbraw/zinc/22/19/04/1022221904.db2.gz HUURMWDZEYYJFA-HZSPNIEDSA-N 1 0 308.809 3.575 20 5 DHBDRO COc1cccc([C@@H]2CCCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169036521 1022222930 /nfs/dbraw/zinc/22/29/30/1022222930.db2.gz PCJZZPGYDFJHLL-HFTRVMKXSA-N 1 0 318.417 3.668 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](CC[C@H]1CCCCO1)C1CC1 ZINC000347480635 1022272009 /nfs/dbraw/zinc/27/20/09/1022272009.db2.gz FPPIQYGTJNXENZ-MRXNPFEDSA-N 1 0 304.390 3.518 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000195582088 1022300444 /nfs/dbraw/zinc/30/04/44/1022300444.db2.gz UFCNRCAEEILVQT-GOSISDBHSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000609598790 1022313363 /nfs/dbraw/zinc/31/33/63/1022313363.db2.gz PHISIYFQOROLQG-LLVKDONJSA-N 1 0 317.414 3.854 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)(C)O ZINC000609707866 1022336360 /nfs/dbraw/zinc/33/63/60/1022336360.db2.gz HOWDCDXEDOHMSX-NSHDSACASA-N 1 0 320.414 3.572 20 5 DHBDRO C[C@H]1CCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282146548 1022348918 /nfs/dbraw/zinc/34/89/18/1022348918.db2.gz SHVJWHFHTYPKQO-WFASDCNBSA-N 1 0 315.373 3.571 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800545 1022354529 /nfs/dbraw/zinc/35/45/29/1022354529.db2.gz MTIHKGXUQDOXCR-QGZVFWFLSA-N 1 0 314.410 3.885 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278826267 1022387237 /nfs/dbraw/zinc/38/72/37/1022387237.db2.gz QBENAVOSWZJHQO-QWRGUYRKSA-N 1 0 302.296 3.930 20 5 DHBDRO CC[C@H]([NH2+]CCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000195670123 1022402654 /nfs/dbraw/zinc/40/26/54/1022402654.db2.gz COVMNHNSKMMKLD-KRWDZBQOSA-N 1 0 300.358 3.715 20 5 DHBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000610133478 1022425112 /nfs/dbraw/zinc/42/51/12/1022425112.db2.gz RVOBAAVCRNJNHL-UAGQMJEPSA-N 1 0 318.417 3.620 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000090809949 1022461692 /nfs/dbraw/zinc/46/16/92/1022461692.db2.gz OVSWOLAROSFBBM-CJNGLKHVSA-N 1 0 308.422 3.597 20 5 DHBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000893296278 1022616748 /nfs/dbraw/zinc/61/67/48/1022616748.db2.gz SEVJVHZUHQWZTC-UKRRQHHQSA-N 1 0 312.797 3.541 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000538457233 1033072597 /nfs/dbraw/zinc/07/25/97/1033072597.db2.gz PHONAJJBZPANSG-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1COCc3ccccc31)CCC2 ZINC000417373960 1022706301 /nfs/dbraw/zinc/70/63/01/1022706301.db2.gz YPVIOSIALYUBOM-OALUTQOASA-N 1 0 324.380 3.833 20 5 DHBDRO CCC1(CC)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776846552 1022733385 /nfs/dbraw/zinc/73/33/85/1022733385.db2.gz NWLMIFGWIOZXDX-INIZCTEOSA-N 1 0 306.406 3.530 20 5 DHBDRO CCn1ccc(CN(C)Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000616785524 1022769546 /nfs/dbraw/zinc/76/95/46/1022769546.db2.gz ZCCDIWYSZPCBLW-UHFFFAOYSA-N 1 0 307.781 3.702 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])cc1F ZINC000184198771 1022773165 /nfs/dbraw/zinc/77/31/65/1022773165.db2.gz GEULRWYRWUODCP-CQSZACIVSA-N 1 0 308.353 3.507 20 5 DHBDRO CCOc1cccc([C@@H](C)NCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000180684712 1022785774 /nfs/dbraw/zinc/78/57/74/1022785774.db2.gz WHDYMSUPUAQQLR-GFCCVEGCSA-N 1 0 318.348 3.983 20 5 DHBDRO C[N@H+](CC(=O)NC1CC1)Cc1c2ccccc2cc2ccccc21 ZINC000768204408 1022915433 /nfs/dbraw/zinc/91/54/33/1022915433.db2.gz XOGBAHNZUUUIRZ-UHFFFAOYSA-N 1 0 318.420 3.703 20 5 DHBDRO CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092623787 1022929161 /nfs/dbraw/zinc/92/91/61/1022929161.db2.gz SHDGARTUWQOAEX-UHFFFAOYSA-N 1 0 316.405 3.677 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000173358531 1022944046 /nfs/dbraw/zinc/94/40/46/1022944046.db2.gz BLTUKWAGXYBIEM-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H](NCC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000184503492 1022944575 /nfs/dbraw/zinc/94/45/75/1022944575.db2.gz IBGDRLGLWZZFRD-GJZGRUSLSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000857083243 1022946145 /nfs/dbraw/zinc/94/61/45/1022946145.db2.gz VOPNUZLCCDKORV-KOLCDFICSA-N 1 0 303.189 3.829 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(NCCC[N@H+]2CCCC[C@@H]2C)c1F ZINC001167753090 1023044772 /nfs/dbraw/zinc/04/47/72/1023044772.db2.gz CFLVRCXPROSSKP-ZDUSSCGKSA-N 1 0 309.385 3.719 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000387404688 1023104704 /nfs/dbraw/zinc/10/47/04/1023104704.db2.gz KEBLCLBZSQUAEZ-KBPBESRZSA-N 1 0 306.406 3.909 20 5 DHBDRO CC[N+](C)(C)Cc1ccccc1NCCC(=O)c1ccccc1 ZINC001170018876 1023357932 /nfs/dbraw/zinc/35/79/32/1023357932.db2.gz AJGFLXRTMPJTJP-UHFFFAOYSA-N 1 0 311.449 3.968 20 5 DHBDRO CC[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788479671 1023892066 /nfs/dbraw/zinc/89/20/66/1023892066.db2.gz ZTEASBLDYXERJK-UHFFFAOYSA-N 1 0 302.349 3.799 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499517 1023896144 /nfs/dbraw/zinc/89/61/44/1023896144.db2.gz VNNZOXPYNZJBJM-PXAZEXFGSA-N 1 0 311.385 3.905 20 5 DHBDRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788570165 1023908991 /nfs/dbraw/zinc/90/89/91/1023908991.db2.gz ICJOSFYOCMADPS-KGLIPLIRSA-N 1 0 313.401 3.767 20 5 DHBDRO CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788588312 1023910686 /nfs/dbraw/zinc/91/06/86/1023910686.db2.gz LKBRACKISRXATK-CJNGLKHVSA-N 1 0 313.401 3.849 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Cc1cccs1 ZINC000788613208 1023913859 /nfs/dbraw/zinc/91/38/59/1023913859.db2.gz OLPWUTSOQJKGDN-RYUDHWBXSA-N 1 0 319.430 3.768 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1F ZINC000859564864 1033171441 /nfs/dbraw/zinc/17/14/41/1033171441.db2.gz QFVXRJLWUVSFDJ-KRWDZBQOSA-N 1 0 315.348 3.760 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000788972874 1023957874 /nfs/dbraw/zinc/95/78/74/1023957874.db2.gz JHRNJLCAUSZKFF-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(C)cc1 ZINC000876891476 1033175491 /nfs/dbraw/zinc/17/54/91/1033175491.db2.gz ZAGAHKBWLKLBOU-VMBOVVBDSA-N 1 0 314.389 3.544 20 5 DHBDRO C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000268295064 1024096504 /nfs/dbraw/zinc/09/65/04/1024096504.db2.gz WBBNPOATQQLORG-XHDPSFHLSA-N 1 0 320.780 3.532 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000268733074 1024148868 /nfs/dbraw/zinc/14/88/68/1024148868.db2.gz CQALZTIZDVVKTC-IRXDYDNUSA-N 1 0 318.348 3.508 20 5 DHBDRO C[C@H](CCc1cccc(F)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000531703973 1024276280 /nfs/dbraw/zinc/27/62/80/1024276280.db2.gz KJIBGILFEDUUHN-CQSZACIVSA-N 1 0 316.376 3.887 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883353353 1024399973 /nfs/dbraw/zinc/39/99/73/1024399973.db2.gz SWFWWIGLRONIMT-DYEKYZERSA-N 1 0 310.369 3.590 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883365008 1024403687 /nfs/dbraw/zinc/40/36/87/1024403687.db2.gz RZRBVGYNCACHLE-OLMNPRSZSA-N 1 0 318.417 3.607 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000270614954 1024409401 /nfs/dbraw/zinc/40/94/01/1024409401.db2.gz DQBIQEIRPOWQDG-ZBFHGGJFSA-N 1 0 306.406 3.587 20 5 DHBDRO COC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000453229463 1024414028 /nfs/dbraw/zinc/41/40/28/1024414028.db2.gz RCDFOYSTVKWKOQ-MRXNPFEDSA-N 1 0 304.390 3.521 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000453406201 1024503035 /nfs/dbraw/zinc/50/30/35/1024503035.db2.gz KRTKSGSHXGXBMZ-MCIONIFRSA-N 1 0 324.446 3.623 20 5 DHBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)O1 ZINC000453628422 1024561896 /nfs/dbraw/zinc/56/18/96/1024561896.db2.gz JIOGYNPGWKRWFA-STQMWFEESA-N 1 0 316.357 3.512 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000323511301 1033220796 /nfs/dbraw/zinc/22/07/96/1033220796.db2.gz HYGOQHUWBNIZQK-GOSISDBHSA-N 1 0 314.385 3.718 20 5 DHBDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532247810 1024584827 /nfs/dbraw/zinc/58/48/27/1024584827.db2.gz FRERGSUUPCEULG-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000585765529 1024602413 /nfs/dbraw/zinc/60/24/13/1024602413.db2.gz KRRSEBSVJOHBMF-CYBMUJFWSA-N 1 0 324.384 3.673 20 5 DHBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000106878376 1024606448 /nfs/dbraw/zinc/60/64/48/1024606448.db2.gz RVZSRYBOGZCTPX-GFCCVEGCSA-N 1 0 319.430 3.904 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000109781003 1024695926 /nfs/dbraw/zinc/69/59/26/1024695926.db2.gz ZZRFKLSIFPORIY-GFCCVEGCSA-N 1 0 316.357 3.502 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279048170 1024701958 /nfs/dbraw/zinc/70/19/58/1024701958.db2.gz JZBHHQHYIQWYOL-QGZVFWFLSA-N 1 0 312.369 3.813 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000349344244 1024704753 /nfs/dbraw/zinc/70/47/53/1024704753.db2.gz RFDWCQFKINPMAE-HZPDHXFCSA-N 1 0 320.414 3.821 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170295855 1024728325 /nfs/dbraw/zinc/72/83/25/1024728325.db2.gz WNKGMTPOMYVBCZ-JVWICGRDSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170312138 1024739713 /nfs/dbraw/zinc/73/97/13/1024739713.db2.gz CWFJUUXDWCAYQW-WOSRLPQWSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC001170329765 1024745583 /nfs/dbraw/zinc/74/55/83/1024745583.db2.gz TZUWFXYOWYZIDO-SUMWQHHRSA-N 1 0 318.417 3.847 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@H+](C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC001170352348 1024748249 /nfs/dbraw/zinc/74/82/49/1024748249.db2.gz MCYSSMPEVIBKEP-OCCSQVGLSA-N 1 0 306.406 3.512 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC001170345209 1024757446 /nfs/dbraw/zinc/75/74/46/1024757446.db2.gz HYZUKHHTTRVDFH-GFCCVEGCSA-N 1 0 320.414 3.728 20 5 DHBDRO CCCC[C@@H](CCC)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877092948 1033238449 /nfs/dbraw/zinc/23/84/49/1033238449.db2.gz BNOPXLNORFLBRR-WLYUNCDWSA-N 1 0 308.426 3.691 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749689291 1024789139 /nfs/dbraw/zinc/78/91/39/1024789139.db2.gz NSDLWNFLAHFUIA-SFHVURJKSA-N 1 0 314.385 3.541 20 5 DHBDRO CCCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC1 ZINC000792877953 1024822046 /nfs/dbraw/zinc/82/20/46/1024822046.db2.gz XVULVIZXFZLEPA-HNNXBMFYSA-N 1 0 321.377 3.952 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000877087691 1033236423 /nfs/dbraw/zinc/23/64/23/1033236423.db2.gz PLDSVPAUURIDMI-MRVPVSSYSA-N 1 0 309.580 3.532 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000119033452 1024940260 /nfs/dbraw/zinc/94/02/60/1024940260.db2.gz RJIZWWPKHOFSIW-CYBMUJFWSA-N 1 0 306.406 3.935 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000269694184 1024966108 /nfs/dbraw/zinc/96/61/08/1024966108.db2.gz WGJREWZSSFLUMJ-JKSUJKDBSA-N 1 0 318.398 3.527 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000539062878 1033259867 /nfs/dbraw/zinc/25/98/67/1033259867.db2.gz IJDYOUAGBRHSPY-RLFYNMQTSA-N 1 0 320.433 3.885 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353746088 1025226121 /nfs/dbraw/zinc/22/61/21/1025226121.db2.gz KVMWYXZBRBPAIX-BKSIFSGMSA-N 1 0 316.401 3.501 20 5 DHBDRO C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897459148 1025351219 /nfs/dbraw/zinc/35/12/19/1025351219.db2.gz IOWMNTMSQMSWSP-LSDHHAIUSA-N 1 0 313.401 3.704 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccncc1Cl)c1ccccc1[N+](=O)[O-] ZINC000897460593 1025361534 /nfs/dbraw/zinc/36/15/34/1025361534.db2.gz IJSLQSFQFDNSTQ-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000354119679 1025362427 /nfs/dbraw/zinc/36/24/27/1025362427.db2.gz PCZSWQHWUUHBFA-UHFFFAOYSA-N 1 0 312.369 3.713 20 5 DHBDRO COCc1cccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897463641 1025366238 /nfs/dbraw/zinc/36/62/38/1025366238.db2.gz AVRQHZNNYNMMNR-AWEZNQCLSA-N 1 0 314.385 3.635 20 5 DHBDRO CSc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897463739 1025366833 /nfs/dbraw/zinc/36/68/33/1025366833.db2.gz HWNVENXPXQRAQY-NSHDSACASA-N 1 0 306.387 3.803 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1NCC1CC[NH+](C2CC2)CC1 ZINC000804663768 1025417582 /nfs/dbraw/zinc/41/75/82/1025417582.db2.gz WYTFSYMLYNEHFA-UHFFFAOYSA-N 1 0 309.797 3.535 20 5 DHBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886014615 1025438849 /nfs/dbraw/zinc/43/88/49/1025438849.db2.gz LPEMKDSBRRWEEY-SWLSCSKDSA-N 1 0 315.348 3.507 20 5 DHBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000747211280 1025467684 /nfs/dbraw/zinc/46/76/84/1025467684.db2.gz DCGCSNDHLRWRGM-NEPJUHHUSA-N 1 0 309.797 3.595 20 5 DHBDRO Cc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000804811809 1025485487 /nfs/dbraw/zinc/48/54/87/1025485487.db2.gz ABGRKOQAOAVVEG-STQMWFEESA-N 1 0 323.824 3.620 20 5 DHBDRO CC(C)(C)OCCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354803072 1025507505 /nfs/dbraw/zinc/50/75/05/1025507505.db2.gz CGMSZJOFJWEOHB-UHFFFAOYSA-N 1 0 306.406 3.548 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000886107479 1025508139 /nfs/dbraw/zinc/50/81/39/1025508139.db2.gz RZSUYOQRQNOQNV-CQSZACIVSA-N 1 0 305.765 3.884 20 5 DHBDRO CC[C@@H](NCC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000355064979 1025596615 /nfs/dbraw/zinc/59/66/15/1025596615.db2.gz LXYRNTVKCPOAHT-QGZVFWFLSA-N 1 0 319.449 3.758 20 5 DHBDRO Cc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])ccc1F ZINC000563414915 1025741385 /nfs/dbraw/zinc/74/13/85/1025741385.db2.gz AQQASRSYXBWHAZ-INIZCTEOSA-N 1 0 300.333 3.819 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355785043 1025840092 /nfs/dbraw/zinc/84/00/92/1025840092.db2.gz PBUMXAZBQRHNES-PBHICJAKSA-N 1 0 304.390 3.548 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)CCC2 ZINC000453322730 1025934060 /nfs/dbraw/zinc/93/40/60/1025934060.db2.gz SXHXVEKJADVVFN-WFASDCNBSA-N 1 0 310.344 3.997 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000089512639 1026051424 /nfs/dbraw/zinc/05/14/24/1026051424.db2.gz BLXUISAWIDRPFQ-INIZCTEOSA-N 1 0 314.410 3.715 20 5 DHBDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513380 1026054525 /nfs/dbraw/zinc/05/45/25/1026054525.db2.gz IWZWRWOMBDUZNO-QGZVFWFLSA-N 1 0 312.369 3.907 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883529 1026072151 /nfs/dbraw/zinc/07/21/51/1026072151.db2.gz PSXZGMONEDZKQM-LBPRGKRZSA-N 1 0 301.346 3.624 20 5 DHBDRO Cc1c(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000052306336 1026275472 /nfs/dbraw/zinc/27/54/72/1026275472.db2.gz DAGMGTMAKGEAKH-UHFFFAOYSA-N 1 0 324.380 3.898 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430005281 1026463686 /nfs/dbraw/zinc/46/36/86/1026463686.db2.gz MEELFKYQHXTOKR-LLVKDONJSA-N 1 0 314.332 3.519 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000513496984 1026523883 /nfs/dbraw/zinc/52/38/83/1026523883.db2.gz OPYNLEDBQQUEJV-AWEZNQCLSA-N 1 0 300.333 3.723 20 5 DHBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280166774 1026604165 /nfs/dbraw/zinc/60/41/65/1026604165.db2.gz FSONCCVBZFSYNT-HNNXBMFYSA-N 1 0 312.797 3.639 20 5 DHBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017406 1026666749 /nfs/dbraw/zinc/66/67/49/1026666749.db2.gz XAVVRTNYIUJUMK-WRWORJQWSA-N 1 0 321.229 3.743 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000421366202 1026966448 /nfs/dbraw/zinc/96/64/48/1026966448.db2.gz BYHKTQXVJVPQMJ-HNNXBMFYSA-N 1 0 318.417 3.598 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000034996514 1027014885 /nfs/dbraw/zinc/01/48/85/1027014885.db2.gz UQUAERCSUSDGSE-OAHLLOKOSA-N 1 0 300.383 3.922 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000894264892 1027079794 /nfs/dbraw/zinc/07/97/94/1027079794.db2.gz UBXYAQMYMSSQFX-UHFFFAOYSA-N 1 0 310.703 3.926 20 5 DHBDRO CC1(C)CN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000573368920 1027285237 /nfs/dbraw/zinc/28/52/37/1027285237.db2.gz KUNRUQJNOKIXTI-LSDHHAIUSA-N 1 0 324.808 3.638 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC000932207075 1027412662 /nfs/dbraw/zinc/41/26/62/1027412662.db2.gz QVFHZZHKGNTHNZ-CQSZACIVSA-N 1 0 317.414 3.506 20 5 DHBDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000932276678 1027441174 /nfs/dbraw/zinc/44/11/74/1027441174.db2.gz VLTFUPLVQLFSTL-YOEHRIQHSA-N 1 0 311.385 3.758 20 5 DHBDRO Cc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000562489001 1027455789 /nfs/dbraw/zinc/45/57/89/1027455789.db2.gz PGJKDFVAOXHDJY-LBPRGKRZSA-N 1 0 302.296 3.678 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000295897943 1027481060 /nfs/dbraw/zinc/48/10/60/1027481060.db2.gz IDJBKOXVBYAELQ-AWEZNQCLSA-N 1 0 309.369 3.840 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423345638 1027506144 /nfs/dbraw/zinc/50/61/44/1027506144.db2.gz FZHKDQSVJMDHGX-KPZWWZAWSA-N 1 0 311.385 3.905 20 5 DHBDRO CCc1ccccc1[C@H]([NH3+])CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423499262 1027564981 /nfs/dbraw/zinc/56/49/81/1027564981.db2.gz JGIZQHMPOFXOJZ-FZKQIMNGSA-N 1 0 313.401 3.508 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccc(F)c3)c2c1 ZINC000576259695 1027593250 /nfs/dbraw/zinc/59/32/50/1027593250.db2.gz KJWDCNURWXRMMZ-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO CCC(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000760018347 1027594614 /nfs/dbraw/zinc/59/46/14/1027594614.db2.gz OEFPOBLIXIVJIH-UHFFFAOYSA-N 1 0 305.422 3.589 20 5 DHBDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000576478863 1027622076 /nfs/dbraw/zinc/62/20/76/1027622076.db2.gz FORAIHWOHJQSOL-SJCJKPOMSA-N 1 0 312.369 3.942 20 5 DHBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000576805951 1027662253 /nfs/dbraw/zinc/66/22/53/1027662253.db2.gz WNFJIWBVGOZDFW-ZJUUUORDSA-N 1 0 302.296 3.844 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)c2ccccn2)cc1[N+](=O)[O-] ZINC000296561611 1027670123 /nfs/dbraw/zinc/67/01/23/1027670123.db2.gz SFXACLLDQLLYOD-AWEZNQCLSA-N 1 0 313.401 3.927 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1OC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296756404 1027727275 /nfs/dbraw/zinc/72/72/75/1027727275.db2.gz QDRNZHUXJVOWTD-ZDUSSCGKSA-N 1 0 312.369 3.987 20 5 DHBDRO C[C@H]([NH2+]CCCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296852629 1027744601 /nfs/dbraw/zinc/74/46/01/1027744601.db2.gz YHTPFLJMOZYOQC-AWEZNQCLSA-N 1 0 306.406 3.842 20 5 DHBDRO CC[N@H+](Cc1cccc(F)c1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485739365 1027922603 /nfs/dbraw/zinc/92/26/03/1027922603.db2.gz RPPRCFPJPHVHFV-UHFFFAOYSA-N 1 0 318.348 3.765 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934335923 1027970299 /nfs/dbraw/zinc/97/02/99/1027970299.db2.gz IAHMTCQSNRWURC-CHWSQXEVSA-N 1 0 317.414 3.677 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335926 1027970953 /nfs/dbraw/zinc/97/09/53/1027970953.db2.gz IAHMTCQSNRWURC-STQMWFEESA-N 1 0 317.414 3.677 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934335925 1027971660 /nfs/dbraw/zinc/97/16/60/1027971660.db2.gz IAHMTCQSNRWURC-QWHCGFSZSA-N 1 0 317.414 3.677 20 5 DHBDRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000601299987 1028068232 /nfs/dbraw/zinc/06/82/32/1028068232.db2.gz RWZOOXHPYNCXSV-NOZJJQNGSA-N 1 0 303.387 3.698 20 5 DHBDRO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000563656649 1028148993 /nfs/dbraw/zinc/14/89/93/1028148993.db2.gz NTGFRWDHSIVWFG-UKRRQHHQSA-N 1 0 307.438 3.674 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2(F)CCC2)cc1[N+](=O)[O-] ZINC000563736216 1028183147 /nfs/dbraw/zinc/18/31/47/1028183147.db2.gz AKRYTSHUTQGLLP-GFCCVEGCSA-N 1 0 310.369 3.926 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368612168 1028383091 /nfs/dbraw/zinc/38/30/91/1028383091.db2.gz IFNQOFQYZLIGGG-HOCLYGCPSA-N 1 0 311.385 3.615 20 5 DHBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000449130681 1028384612 /nfs/dbraw/zinc/38/46/12/1028384612.db2.gz HFPPQGYNHZONAN-LBPRGKRZSA-N 1 0 320.339 3.809 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CSc2ccccc21 ZINC000449159307 1028419774 /nfs/dbraw/zinc/41/97/74/1028419774.db2.gz ZEBSKKBDWFJCKO-SWLSCSKDSA-N 1 0 314.410 3.962 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C2CC2)cs1 ZINC000449192196 1028429184 /nfs/dbraw/zinc/42/91/84/1028429184.db2.gz PPQMQMBBVRTUFW-LLVKDONJSA-N 1 0 317.414 3.650 20 5 DHBDRO COc1cc(C)cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449209066 1028445894 /nfs/dbraw/zinc/44/58/94/1028445894.db2.gz RRQWZSCPYCMELN-CQSZACIVSA-N 1 0 314.385 3.633 20 5 DHBDRO CCS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815585604 1028556037 /nfs/dbraw/zinc/55/60/37/1028556037.db2.gz MOKNABLNUQLTSS-KWCYVHTRSA-N 1 0 323.462 3.892 20 5 DHBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000815592565 1028560037 /nfs/dbraw/zinc/56/00/37/1028560037.db2.gz MAGRRDAOEQSMDG-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO CCC(CC)[C@@H](CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000815596910 1028562244 /nfs/dbraw/zinc/56/22/44/1028562244.db2.gz HUCSEKPDBREVEQ-YVEFUNNKSA-N 1 0 323.437 3.669 20 5 DHBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000815598944 1028563679 /nfs/dbraw/zinc/56/36/79/1028563679.db2.gz GXVUKAPJGDIXIE-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571841 1028566329 /nfs/dbraw/zinc/56/63/29/1028566329.db2.gz NPAWRYRQPJOEHP-GFCCVEGCSA-N 1 0 322.368 3.576 20 5 DHBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449375672 1028585592 /nfs/dbraw/zinc/58/55/92/1028585592.db2.gz IITYVVAKVVGMPS-LBPRGKRZSA-N 1 0 320.414 3.526 20 5 DHBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449415368 1028612068 /nfs/dbraw/zinc/61/20/68/1028612068.db2.gz NXTVEHSRRQSWMN-MRXNPFEDSA-N 1 0 316.357 3.512 20 5 DHBDRO CS[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449445035 1028647439 /nfs/dbraw/zinc/64/74/39/1028647439.db2.gz GNLYYZBKGLSYMK-CYBMUJFWSA-N 1 0 318.398 3.792 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449505736 1028728891 /nfs/dbraw/zinc/72/88/91/1028728891.db2.gz XMOWYJXYVGKVNA-QGZVFWFLSA-N 1 0 311.385 3.678 20 5 DHBDRO CCO[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449510315 1028737561 /nfs/dbraw/zinc/73/75/61/1028737561.db2.gz XCGNAKACWQWIKY-MHZPLBOYSA-N 1 0 318.417 3.745 20 5 DHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000217889128 1028785377 /nfs/dbraw/zinc/78/53/77/1028785377.db2.gz WSCRLKAFMBNBLU-KGLIPLIRSA-N 1 0 312.797 3.541 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000566938793 1028805251 /nfs/dbraw/zinc/80/52/51/1028805251.db2.gz WEMDLRHYTUMWSZ-ZIAGYGMSSA-N 1 0 312.369 3.730 20 5 DHBDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000449672424 1028898034 /nfs/dbraw/zinc/89/80/34/1028898034.db2.gz WDAAXNZBHGATTO-ZDUSSCGKSA-N 1 0 316.405 3.785 20 5 DHBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000567626353 1028931829 /nfs/dbraw/zinc/93/18/29/1028931829.db2.gz KPAQMBORBJYEHP-SKDZVZGDSA-N 1 0 318.417 3.623 20 5 DHBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1(O)CCCC1 ZINC000449737722 1028956434 /nfs/dbraw/zinc/95/64/34/1028956434.db2.gz TVZATAZRUQDXLS-CLFYSBASSA-N 1 0 318.417 3.529 20 5 DHBDRO CSc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000568810310 1029129698 /nfs/dbraw/zinc/12/96/98/1029129698.db2.gz LTDSFIUYPLLELS-UHFFFAOYSA-N 1 0 308.428 3.711 20 5 DHBDRO NC(=O)CC1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000817411769 1029152658 /nfs/dbraw/zinc/15/26/58/1029152658.db2.gz YPIXLKLMMHTGFK-UHFFFAOYSA-N 1 0 318.420 3.738 20 5 DHBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000190949952 1029222682 /nfs/dbraw/zinc/22/26/82/1029222682.db2.gz JRNXLQCVSOSLIZ-ZFWWWQNUSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1c(C[N@@H+]2CCSC3(CCC3)CC2)cccc1[N+](=O)[O-] ZINC000411870436 1029230505 /nfs/dbraw/zinc/23/05/05/1029230505.db2.gz ORQKYUDUXOGJET-UHFFFAOYSA-N 1 0 306.431 3.765 20 5 DHBDRO CN(CCCC(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000450227640 1029266916 /nfs/dbraw/zinc/26/69/16/1029266916.db2.gz RGANUTSHNRJIDT-UHFFFAOYSA-N 1 0 312.369 3.690 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1NC1CC[NH+](C2CCC2)CC1 ZINC000450881760 1029727008 /nfs/dbraw/zinc/72/70/08/1029727008.db2.gz ZJKKDGXLYLIXTP-UHFFFAOYSA-N 1 0 309.797 3.677 20 5 DHBDRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548800 1029910700 /nfs/dbraw/zinc/91/07/00/1029910700.db2.gz OLHXVDVICNBMIW-MRXNPFEDSA-N 1 0 311.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000865762466 1030011256 /nfs/dbraw/zinc/01/12/56/1030011256.db2.gz OQQFWGOBZHHWGB-LRDDRELGSA-N 1 0 324.808 3.543 20 5 DHBDRO C[N@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1[N+](=O)[O-] ZINC000822570943 1030063321 /nfs/dbraw/zinc/06/33/21/1030063321.db2.gz SPZWHJBXPSKGJZ-LLVKDONJSA-N 1 0 303.189 3.611 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000557254368 1030075637 /nfs/dbraw/zinc/07/56/37/1030075637.db2.gz BFQNGCVZORYQCI-LBPRGKRZSA-N 1 0 320.776 3.978 20 5 DHBDRO C[N@@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865968180 1030096744 /nfs/dbraw/zinc/09/67/44/1030096744.db2.gz OKMVUKLEIUOFGI-LLVKDONJSA-N 1 0 313.348 3.676 20 5 DHBDRO Cc1nc(C)c(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866273153 1030195469 /nfs/dbraw/zinc/19/54/69/1030195469.db2.gz FPVBMWQPPAAACF-VIFPVBQESA-N 1 0 323.393 3.528 20 5 DHBDRO C[C@@H](CCc1cccnc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000866305224 1030212625 /nfs/dbraw/zinc/21/26/25/1030212625.db2.gz OYGKJFAFXDZSOC-LBPRGKRZSA-N 1 0 319.792 3.754 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nccs1 ZINC000866338769 1030240699 /nfs/dbraw/zinc/24/06/99/1030240699.db2.gz XLBVQSQFWZYWLW-MNOVXSKESA-N 1 0 323.393 3.515 20 5 DHBDRO COc1cc(C[NH2+]CC2(C)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000557865485 1030329383 /nfs/dbraw/zinc/32/93/83/1030329383.db2.gz FWGTUNMTEROWKI-UHFFFAOYSA-N 1 0 322.405 3.672 20 5 DHBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000866539156 1030359852 /nfs/dbraw/zinc/35/98/52/1030359852.db2.gz HMEFKQXFCVHDOD-QGZVFWFLSA-N 1 0 312.369 3.689 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](c2ccc(F)cn2)C(C)C)cc1[N+](=O)[O-] ZINC000866540529 1030360244 /nfs/dbraw/zinc/36/02/44/1030360244.db2.gz PZTMRVWSHAAYGO-KRWDZBQOSA-N 1 0 317.364 3.924 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)C(C)(F)F ZINC000866547496 1030365646 /nfs/dbraw/zinc/36/56/46/1030365646.db2.gz XEYJGHVFDMCRAD-JTQLQIEISA-N 1 0 316.348 3.935 20 5 DHBDRO CC[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000358310612 1030431668 /nfs/dbraw/zinc/43/16/68/1030431668.db2.gz YIDHITIRAMYWHC-FHLIZLRMSA-N 1 0 320.433 3.967 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000925643526 1030431570 /nfs/dbraw/zinc/43/15/70/1030431570.db2.gz WIJDQFIQEXBJOZ-GOSISDBHSA-N 1 0 311.385 3.663 20 5 DHBDRO COCc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000339076220 1030457421 /nfs/dbraw/zinc/45/74/21/1030457421.db2.gz YEAATPPEGNIANV-CYBMUJFWSA-N 1 0 300.358 3.592 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000824080689 1030472835 /nfs/dbraw/zinc/47/28/35/1030472835.db2.gz IYLDFKIWJMLRAV-IAGOWNOFSA-N 1 0 306.406 3.577 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccc(C)n1 ZINC000347379513 1030483802 /nfs/dbraw/zinc/48/38/02/1030483802.db2.gz VNKZABSHEWXVER-UVTDQMKNSA-N 1 0 311.385 3.834 20 5 DHBDRO CCCCn1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000358657330 1030575058 /nfs/dbraw/zinc/57/50/58/1030575058.db2.gz RUKGDXNYWVBEGV-CYBMUJFWSA-N 1 0 316.405 3.751 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1(Cl)CC1 ZINC000926113006 1030621152 /nfs/dbraw/zinc/62/11/52/1030621152.db2.gz LLUUXAUJPRBQAQ-SECBINFHSA-N 1 0 303.189 3.540 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1(Cl)Cl ZINC000824771726 1030629841 /nfs/dbraw/zinc/62/98/41/1030629841.db2.gz COAHRKGWMOYGQA-NSHDSACASA-N 1 0 323.607 3.922 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1Cl ZINC000824750082 1030636497 /nfs/dbraw/zinc/63/64/97/1030636497.db2.gz CMBNKGILGOERPH-CYBMUJFWSA-N 1 0 324.808 3.687 20 5 DHBDRO Cc1cccnc1CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000824783592 1030650553 /nfs/dbraw/zinc/65/05/53/1030650553.db2.gz QWNGDZXHZWYWES-UHFFFAOYSA-N 1 0 319.792 3.674 20 5 DHBDRO CCCC[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000558577429 1030658000 /nfs/dbraw/zinc/65/80/00/1030658000.db2.gz MEUHGRXPPDDAAS-LBPRGKRZSA-N 1 0 310.394 3.623 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC000926492976 1030764111 /nfs/dbraw/zinc/76/41/11/1030764111.db2.gz KCWXFYLDQCSZFX-STQMWFEESA-N 1 0 314.389 3.928 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC000926797015 1030935358 /nfs/dbraw/zinc/93/53/58/1030935358.db2.gz QJZGXKXCCZMHSQ-ZDUSSCGKSA-N 1 0 314.389 3.676 20 5 DHBDRO CCCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122987929 1030935572 /nfs/dbraw/zinc/93/55/72/1030935572.db2.gz OAOVWZQZXRHUDZ-UHFFFAOYSA-N 1 0 301.184 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3CC=CC3)CC2)cc1 ZINC000926952333 1031012091 /nfs/dbraw/zinc/01/20/91/1031012091.db2.gz STYPNOBMOMMZBZ-UHFFFAOYSA-N 1 0 315.417 3.510 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000927067554 1031065840 /nfs/dbraw/zinc/06/58/40/1031065840.db2.gz NVEVTJUOWTZOTC-XCRHUMRWSA-N 1 0 318.417 3.759 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000844392766 1031097482 /nfs/dbraw/zinc/09/74/82/1031097482.db2.gz FTEBZMJLMWXHLD-IRXDYDNUSA-N 1 0 318.348 3.508 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000927131962 1031109615 /nfs/dbraw/zinc/10/96/15/1031109615.db2.gz ZQPHNXVOKUXFMI-CJNGLKHVSA-N 1 0 304.390 3.737 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H](CC)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000360054403 1031258367 /nfs/dbraw/zinc/25/83/67/1031258367.db2.gz MRUBUMADUMXVDI-SJLPKXTDSA-N 1 0 319.449 3.900 20 5 DHBDRO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035585 1031419654 /nfs/dbraw/zinc/41/96/54/1031419654.db2.gz XIENAQMDRLSAAG-KGLIPLIRSA-N 1 0 323.412 3.505 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000872039880 1031423745 /nfs/dbraw/zinc/42/37/45/1031423745.db2.gz IUAJOQIIABEPJL-QWRGUYRKSA-N 1 0 312.460 3.863 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000872041632 1031426129 /nfs/dbraw/zinc/42/61/29/1031426129.db2.gz VJTPJJVWKOMFPQ-SMDDNHRTSA-N 1 0 310.369 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000872044006 1031431467 /nfs/dbraw/zinc/43/14/67/1031431467.db2.gz PCXPAQQRDMUZMB-RWMBFGLXSA-N 1 0 324.446 3.782 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053030 1031440290 /nfs/dbraw/zinc/44/02/90/1031440290.db2.gz WAMUKUSMSQGPPA-HUBLWGQQSA-N 1 0 324.396 3.978 20 5 DHBDRO CC[C@H](CCC(F)(F)F)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000872052989 1031441189 /nfs/dbraw/zinc/44/11/89/1031441189.db2.gz VFTBUJZQPCWBAW-GFCCVEGCSA-N 1 0 304.312 3.848 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC000293363558 1031444706 /nfs/dbraw/zinc/44/47/06/1031444706.db2.gz HMCMARJHYMKYCM-AWEZNQCLSA-N 1 0 310.344 3.551 20 5 DHBDRO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060604 1031454604 /nfs/dbraw/zinc/45/46/04/1031454604.db2.gz RWOGTIVXIKRODU-UPJWGTAASA-N 1 0 310.369 3.590 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872068957 1031464172 /nfs/dbraw/zinc/46/41/72/1031464172.db2.gz KDRIQJDWXIBPTA-DOMZBBRYSA-N 1 0 322.380 3.734 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOC(F)F ZINC000872070224 1031465459 /nfs/dbraw/zinc/46/54/59/1031465459.db2.gz SLVQCTIAMCVYOT-VIFPVBQESA-N 1 0 320.361 3.597 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000872071106 1031467413 /nfs/dbraw/zinc/46/74/13/1031467413.db2.gz KPDWUQOVUUWXRZ-AVGNSLFASA-N 1 0 324.446 3.640 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074831 1031472431 /nfs/dbraw/zinc/47/24/31/1031472431.db2.gz IVUSLBIQZFJCJY-QWHCGFSZSA-N 1 0 322.380 3.734 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000872076125 1031472929 /nfs/dbraw/zinc/47/29/29/1031472929.db2.gz XZNSHYNXLZKEDW-IINYFYTJSA-N 1 0 310.419 3.535 20 5 DHBDRO C[C@H]([NH2+]CCC1SCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088506 1031486519 /nfs/dbraw/zinc/48/65/19/1031486519.db2.gz PIYKNJGUNFGQPK-VIFPVBQESA-N 1 0 316.423 3.581 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000872090889 1031487922 /nfs/dbraw/zinc/48/79/22/1031487922.db2.gz FAZRXKILXCTWOB-YAMSLAJTSA-N 1 0 310.419 3.533 20 5 DHBDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872092020 1031488484 /nfs/dbraw/zinc/48/84/84/1031488484.db2.gz MCZFCSHEGYXSLG-NWDGAFQWSA-N 1 0 312.435 3.518 20 5 DHBDRO COC(C)(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872092231 1031490975 /nfs/dbraw/zinc/49/09/75/1031490975.db2.gz LXULHMSYJJQAKO-LLVKDONJSA-N 1 0 312.435 3.782 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093821 1031491472 /nfs/dbraw/zinc/49/14/72/1031491472.db2.gz XKKDRWZSSIEWKY-BNLOLNQZSA-N 1 0 322.380 3.590 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000872108594 1031501365 /nfs/dbraw/zinc/50/13/65/1031501365.db2.gz AMCWYSDXOCKXCA-QSPRXWTASA-N 1 0 304.390 3.593 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)cccc1[N+](=O)[O-] ZINC000872109531 1031501565 /nfs/dbraw/zinc/50/15/65/1031501565.db2.gz OBIPEVQWKVVXBA-AYMQEEERSA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000872129841 1031520971 /nfs/dbraw/zinc/52/09/71/1031520971.db2.gz YIDOLKMFKARWMD-PZTHBURQSA-N 1 0 324.471 3.625 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC001171188574 1031622615 /nfs/dbraw/zinc/62/26/15/1031622615.db2.gz DBKAWXUIZQQDOO-IHRRRGAJSA-N 1 0 306.406 3.908 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000873023686 1031696297 /nfs/dbraw/zinc/69/62/97/1031696297.db2.gz RXWJTGGUAJWNIO-UHFFFAOYSA-N 1 0 306.312 3.780 20 5 DHBDRO Cc1nn(C[N@H+]2CCCC[C@@H]2CCC(C)C)c(C)c1[N+](=O)[O-] ZINC000760408440 1031706729 /nfs/dbraw/zinc/70/67/29/1031706729.db2.gz MZRWLYOIVPPTEI-OAHLLOKOSA-N 1 0 308.426 3.656 20 5 DHBDRO CCSc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccn1 ZINC000873109303 1031711959 /nfs/dbraw/zinc/71/19/59/1031711959.db2.gz LLDCQYMLZMAZNN-UHFFFAOYSA-N 1 0 317.414 3.700 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000873101901 1031712107 /nfs/dbraw/zinc/71/21/07/1031712107.db2.gz DVRYMGDWBGAECM-HZPDHXFCSA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000873124089 1031717674 /nfs/dbraw/zinc/71/76/74/1031717674.db2.gz BGZAINCGEVFAHE-UHFFFAOYSA-N 1 0 302.296 3.644 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1COCc2ccccc21 ZINC000873131986 1031720980 /nfs/dbraw/zinc/72/09/80/1031720980.db2.gz BRBBKAHLVCIBRB-QGZVFWFLSA-N 1 0 312.369 3.573 20 5 DHBDRO CSCC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000385784361 1031755455 /nfs/dbraw/zinc/75/54/55/1031755455.db2.gz CTRXRIRFZKVIHZ-UHFFFAOYSA-N 1 0 312.410 3.745 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC000897749043 1031812551 /nfs/dbraw/zinc/81/25/51/1031812551.db2.gz QYLCTXYXDIVDSL-YOGCLGLASA-N 1 0 312.822 3.764 20 5 DHBDRO CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1C ZINC000361266078 1031825384 /nfs/dbraw/zinc/82/53/84/1031825384.db2.gz LYOMJYJLTSZRJW-UHFFFAOYSA-N 1 0 324.384 3.802 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897779735 1031831432 /nfs/dbraw/zinc/83/14/32/1031831432.db2.gz SCHPFBJZYHMPSK-OCFMGJFWSA-N 1 0 316.401 3.545 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1cncs1 ZINC000897932144 1031874070 /nfs/dbraw/zinc/87/40/70/1031874070.db2.gz IHTYCCCUOVUAKQ-DSDFTUOUSA-N 1 0 303.387 3.805 20 5 DHBDRO Cc1c(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000877590567 1033373938 /nfs/dbraw/zinc/37/39/38/1033373938.db2.gz AZHAKWTVWROGNW-QGZVFWFLSA-N 1 0 318.417 3.540 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCS2)cc1Cl ZINC000877698475 1033415495 /nfs/dbraw/zinc/41/54/95/1033415495.db2.gz WEAVARDUTLAEGX-NSHDSACASA-N 1 0 300.811 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1C3)CC2 ZINC001172900798 1033434678 /nfs/dbraw/zinc/43/46/78/1033434678.db2.gz FTHCYIIJIIXJOR-LMWIJYBJSA-N 1 0 300.402 3.620 20 5 DHBDRO Cc1cccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172899090 1033435854 /nfs/dbraw/zinc/43/58/54/1033435854.db2.gz SXVXMOANKWLISW-SFHVURJKSA-N 1 0 310.397 3.940 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC13CCCC3)CC2 ZINC001172906180 1033436803 /nfs/dbraw/zinc/43/68/03/1033436803.db2.gz WNSBPFDKCFOKCG-MRXNPFEDSA-N 1 0 300.402 3.861 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(c3cccnc3)CC1)CC2 ZINC001172902831 1033437567 /nfs/dbraw/zinc/43/75/67/1033437567.db2.gz MIVNKUUXTVLJHR-KRWDZBQOSA-N 1 0 323.396 3.516 20 5 DHBDRO C[C@]1(CF)CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906700 1033437924 /nfs/dbraw/zinc/43/79/24/1033437924.db2.gz YAYJPEFNKBWDMG-DOTOQJQBSA-N 1 0 306.381 3.524 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCc3cccnc31)CC2 ZINC001172901438 1033437943 /nfs/dbraw/zinc/43/79/43/1033437943.db2.gz NDWOPBXNWLOBJU-WMZOPIPTSA-N 1 0 323.396 3.514 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC13CCCC3)CC2 ZINC001172902861 1033438309 /nfs/dbraw/zinc/43/83/09/1033438309.db2.gz MOHQXQOESXTORT-NVXWUHKLSA-N 1 0 300.402 3.765 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC3CCC1CC3)CC2 ZINC001172914146 1033464295 /nfs/dbraw/zinc/46/42/95/1033464295.db2.gz DAEPKXSVYWGXAO-QWFMPGPPSA-N 1 0 300.402 3.717 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC(c3ccccc3)C1)CC2 ZINC001172918466 1033466847 /nfs/dbraw/zinc/46/68/47/1033466847.db2.gz BAXYJVCMEPPRIF-LJQANCHMSA-N 1 0 322.408 3.942 20 5 DHBDRO C[C@@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151715483 1033478438 /nfs/dbraw/zinc/47/84/38/1033478438.db2.gz NICXQHXKGVUDIQ-VXGBXAGGSA-N 1 0 320.414 3.602 20 5 DHBDRO C[C@H]1CCCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909564 1033481987 /nfs/dbraw/zinc/48/19/87/1033481987.db2.gz SMKHLVPICAIIGW-YOEHRIQHSA-N 1 0 302.418 3.964 20 5 DHBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152115506 1033502061 /nfs/dbraw/zinc/50/20/61/1033502061.db2.gz KWKBOQNPFBJAKK-RYUDHWBXSA-N 1 0 317.389 3.790 20 5 DHBDRO CCCC1([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCC1 ZINC001173179095 1033580350 /nfs/dbraw/zinc/58/03/50/1033580350.db2.gz KJXWSHKCIXMVIC-GFCCVEGCSA-N 1 0 324.396 3.986 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)C(C)(C)C)c1F ZINC001173175144 1033581474 /nfs/dbraw/zinc/58/14/74/1033581474.db2.gz AKVSHEKCKLFFAU-QWRGUYRKSA-N 1 0 312.385 3.698 20 5 DHBDRO CCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000153493666 1033581947 /nfs/dbraw/zinc/58/19/47/1033581947.db2.gz ZHNBYDGIWPYXMO-UHFFFAOYSA-N 1 0 301.346 3.624 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CC3(CCC3)C2)c1F ZINC001173178434 1033582045 /nfs/dbraw/zinc/58/20/45/1033582045.db2.gz HKGVETZAQVNKIO-NSHDSACASA-N 1 0 322.380 3.596 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](C)[C@H]2C)c1F ZINC001173190931 1033584141 /nfs/dbraw/zinc/58/41/41/1033584141.db2.gz XRAHTWCNTUHFJO-RWMBFGLXSA-N 1 0 324.396 3.794 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H](C)C[C@@H]2C)c1F ZINC001173189890 1033584902 /nfs/dbraw/zinc/58/49/02/1033584902.db2.gz OICIJNPSJOJHKY-AVGNSLFASA-N 1 0 324.396 3.794 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C[C@H]2CC2(C)C)c1F ZINC001173198387 1033589478 /nfs/dbraw/zinc/58/94/78/1033589478.db2.gz ZBTPQLBXHSNWLI-VXGBXAGGSA-N 1 0 324.396 3.651 20 5 DHBDRO Cc1ccc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001173215708 1033596970 /nfs/dbraw/zinc/59/69/70/1033596970.db2.gz YUQKDADPQXQJPK-INIZCTEOSA-N 1 0 312.413 3.975 20 5 DHBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC001173236330 1033597868 /nfs/dbraw/zinc/59/78/68/1033597868.db2.gz ZVPNSUOZYNIPBC-LBPRGKRZSA-N 1 0 319.792 3.672 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC001173218496 1033598515 /nfs/dbraw/zinc/59/85/15/1033598515.db2.gz POGRXSKXPAELFC-STQMWFEESA-N 1 0 300.358 3.582 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cc(F)cc(F)c1 ZINC001173222005 1033603198 /nfs/dbraw/zinc/60/31/98/1033603198.db2.gz RYEDADAMJOQEPA-GFCCVEGCSA-N 1 0 320.339 3.636 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001173224932 1033603754 /nfs/dbraw/zinc/60/37/54/1033603754.db2.gz PLUCISOETBDPQR-GXTWGEPZSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC(F)C2)CC1 ZINC001173222468 1033603782 /nfs/dbraw/zinc/60/37/82/1033603782.db2.gz RYCCMWFHCDEIRM-CYBMUJFWSA-N 1 0 306.381 3.740 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c1cccc2O ZINC001173225408 1033604075 /nfs/dbraw/zinc/60/40/75/1033604075.db2.gz JVIWVZHHFIYQNT-PXAZEXFGSA-N 1 0 312.369 3.509 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001173228814 1033605340 /nfs/dbraw/zinc/60/53/40/1033605340.db2.gz ZACOQKQCJQDSLH-KDOFPFPSSA-N 1 0 311.385 3.758 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc(F)c1 ZINC001173230721 1033606081 /nfs/dbraw/zinc/60/60/81/1033606081.db2.gz ZWJDWYLMENFSJM-ZDUSSCGKSA-N 1 0 302.349 3.797 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001173228381 1033606167 /nfs/dbraw/zinc/60/61/67/1033606167.db2.gz VTXOBXIQDUQEOQ-WCQYABFASA-N 1 0 316.323 3.800 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2cnccc21 ZINC001173227516 1033606296 /nfs/dbraw/zinc/60/62/96/1033606296.db2.gz GPWIEMNRSKDWGL-FZKQIMNGSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cccc(O)c1 ZINC001173214783 1033616785 /nfs/dbraw/zinc/61/67/85/1033616785.db2.gz QCVJGQGUOPSBOS-CHWSQXEVSA-N 1 0 300.358 3.582 20 5 DHBDRO C[NH+]1CCC(CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553383366 1033685271 /nfs/dbraw/zinc/68/52/71/1033685271.db2.gz QHPKCDXLTOWKKL-UHFFFAOYSA-N 1 0 318.204 3.655 20 5 DHBDRO CC[NH+](CC)[C@H](C)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000479479924 1033772485 /nfs/dbraw/zinc/77/24/85/1033772485.db2.gz MAELNNRNWGPQKZ-CXAGYDPISA-N 1 0 319.449 3.637 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175051073 1033976447 /nfs/dbraw/zinc/97/64/47/1033976447.db2.gz WJYMLQHCVKZQSZ-QGZVFWFLSA-N 1 0 313.401 3.902 20 5 DHBDRO C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000927127878 1033988057 /nfs/dbraw/zinc/98/80/57/1033988057.db2.gz KOMIZLSHEQBTBK-XJKSGUPXSA-N 1 0 304.390 3.737 20 5 DHBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000175989456 1034062666 /nfs/dbraw/zinc/06/26/66/1034062666.db2.gz BOIOBVVAYZFPGZ-UHFFFAOYSA-N 1 0 306.312 3.898 20 5 DHBDRO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000879746615 1034107834 /nfs/dbraw/zinc/10/78/34/1034107834.db2.gz BSTGDZRDKUJMCO-SFHVURJKSA-N 1 0 311.385 3.944 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000879998810 1034172539 /nfs/dbraw/zinc/17/25/39/1034172539.db2.gz ASFFLFUNFADKJX-ZWNOBZJWSA-N 1 0 302.296 3.930 20 5 DHBDRO Cc1c(C[NH2+]C/C=C\c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000480455598 1034246976 /nfs/dbraw/zinc/24/69/76/1034246976.db2.gz MXCFTDLVGSTFES-ARJAWSKDSA-N 1 0 300.333 3.845 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c(F)c1 ZINC000480456751 1034252225 /nfs/dbraw/zinc/25/22/25/1034252225.db2.gz RWVHHDXLLSCJIF-OAHLLOKOSA-N 1 0 322.380 3.705 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000480483856 1034263409 /nfs/dbraw/zinc/26/34/09/1034263409.db2.gz YGJYVEFMTMIYTA-KRWDZBQOSA-N 1 0 318.417 3.875 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000042098182 1034265068 /nfs/dbraw/zinc/26/50/68/1034265068.db2.gz YDFTYMSPFHIBMP-AWEZNQCLSA-N 1 0 309.366 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000880317512 1034292231 /nfs/dbraw/zinc/29/22/31/1034292231.db2.gz OXRDTILVFRNLEC-SNVBAGLBSA-N 1 0 323.805 3.694 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)ccc1Cl ZINC000880320346 1034295367 /nfs/dbraw/zinc/29/53/67/1034295367.db2.gz SLICSUUMDSVLHF-LLVKDONJSA-N 1 0 323.805 3.694 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480619904 1034355840 /nfs/dbraw/zinc/35/58/40/1034355840.db2.gz BLHQOLWCUVTHIU-DZKIICNBSA-N 1 0 319.449 3.674 20 5 DHBDRO CC[C@@H]([NH2+]CC1(OC)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000480684666 1034401391 /nfs/dbraw/zinc/40/13/91/1034401391.db2.gz UQGIFJCAXKHJLZ-MRXNPFEDSA-N 1 0 306.406 3.985 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000183701269 1034414573 /nfs/dbraw/zinc/41/45/73/1034414573.db2.gz ZPXQWFDKMCCGLT-LBPRGKRZSA-N 1 0 305.403 3.595 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c(Cl)c1 ZINC000183915999 1034428478 /nfs/dbraw/zinc/42/84/78/1034428478.db2.gz ZQFDDVFQZVWQBB-ZDUSSCGKSA-N 1 0 324.808 3.830 20 5 DHBDRO O=[N+]([O-])c1ccc(Nc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC001174478566 1034438231 /nfs/dbraw/zinc/43/82/31/1034438231.db2.gz PFUIQIGEHKQODC-UHFFFAOYSA-N 1 0 311.385 3.977 20 5 DHBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000184268872 1034460391 /nfs/dbraw/zinc/46/03/91/1034460391.db2.gz VNSKJRGBUHCKSE-RCDICMHDSA-N 1 0 311.450 3.850 20 5 DHBDRO CCS[C@@H]1CCCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000480853345 1034475655 /nfs/dbraw/zinc/47/56/55/1034475655.db2.gz DVCHYYTVEYZPCS-GFCCVEGCSA-N 1 0 312.410 3.842 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000186566760 1034645034 /nfs/dbraw/zinc/64/50/34/1034645034.db2.gz CWARUINDMMBQEE-PWSUYJOCSA-N 1 0 305.403 3.814 20 5 DHBDRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000186770892 1034660914 /nfs/dbraw/zinc/66/09/14/1034660914.db2.gz AWHFVGCAFXGSHC-CMPLNLGQSA-N 1 0 305.403 3.814 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c1 ZINC001175301236 1034895905 /nfs/dbraw/zinc/89/59/05/1034895905.db2.gz PPTNQDUVCMVGCY-QRQLOZEOSA-N 1 0 308.381 3.830 20 5 DHBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159416436 1035049767 /nfs/dbraw/zinc/04/97/67/1035049767.db2.gz IXLSZTSRLQNIDL-SNVBAGLBSA-N 1 0 315.211 3.835 20 5 DHBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159418555 1035052457 /nfs/dbraw/zinc/05/24/57/1035052457.db2.gz RLIDAXAXUKVRMK-SNVBAGLBSA-N 1 0 315.211 3.978 20 5 DHBDRO Cc1cc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)n(-c2cc[nH+]cc2)n1 ZINC001175902024 1035156504 /nfs/dbraw/zinc/15/65/04/1035156504.db2.gz DEHBWOAHQBCAFU-DHZHZOJOSA-N 1 0 321.340 3.567 20 5 DHBDRO C[C@@H](OCCC[N+](C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC001224620824 1035180345 /nfs/dbraw/zinc/18/03/45/1035180345.db2.gz FRHOKIGNDVZOJK-GFCCVEGCSA-N 1 0 306.348 3.759 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001176029886 1035188240 /nfs/dbraw/zinc/18/82/40/1035188240.db2.gz WSFLJIKGKVNYRQ-SSKCKEOISA-N 1 0 300.333 3.941 20 5 DHBDRO COCC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001178958460 1035457629 /nfs/dbraw/zinc/45/76/29/1035457629.db2.gz MBXZMLDRMIAANL-GDNBJRDFSA-N 1 0 318.417 3.795 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC001180081953 1035586640 /nfs/dbraw/zinc/58/66/40/1035586640.db2.gz OTVAHIZVLFHVJX-NSHDSACASA-N 1 0 314.307 3.846 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1COc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000905618943 1035593993 /nfs/dbraw/zinc/59/39/93/1035593993.db2.gz QUGJQBOJVCIRJQ-MRXNPFEDSA-N 1 0 316.332 3.737 20 5 DHBDRO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001193743597 1035713020 /nfs/dbraw/zinc/71/30/20/1035713020.db2.gz QTJMDDUZPJXWLK-QAPCUYQASA-N 1 0 320.433 3.664 20 5 DHBDRO CC[C@H](C)C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089897265 1035769653 /nfs/dbraw/zinc/76/96/53/1035769653.db2.gz UTLCKQJMSNCRBJ-LBPRGKRZSA-N 1 0 303.362 3.728 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC000539530070 1035771449 /nfs/dbraw/zinc/77/14/49/1035771449.db2.gz AHROKPBRKHRIAT-LBPRGKRZSA-N 1 0 310.357 3.630 20 5 DHBDRO Cc1c(C[NH2+]CCCc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC001180859491 1035773561 /nfs/dbraw/zinc/77/35/61/1035773561.db2.gz XWGHVGRTCDEXCT-UHFFFAOYSA-N 1 0 320.339 3.904 20 5 DHBDRO CCS[C@H]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000076069429 1035805196 /nfs/dbraw/zinc/80/51/96/1035805196.db2.gz XAZWUZFMBOSXKP-RYUDHWBXSA-N 1 0 312.410 3.840 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000539849012 1035900294 /nfs/dbraw/zinc/90/02/94/1035900294.db2.gz HNQOABOSYNHDBL-HOCLYGCPSA-N 1 0 306.431 3.763 20 5 DHBDRO COc1ccc(C[N@H+](C)CCc2ccccc2C)cc1[N+](=O)[O-] ZINC001194633278 1035972952 /nfs/dbraw/zinc/97/29/52/1035972952.db2.gz PWNGWZAFGKLJEH-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO CCC[C@H](C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC001181988399 1036063704 /nfs/dbraw/zinc/06/37/04/1036063704.db2.gz ZYLAVFSDALHNPE-GFCCVEGCSA-N 1 0 320.311 3.518 20 5 DHBDRO CC(C)([NH2+]CCc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001182052226 1036090812 /nfs/dbraw/zinc/09/08/12/1036090812.db2.gz GVMLYECWOPRDTF-UHFFFAOYSA-N 1 0 302.349 3.801 20 5 DHBDRO COc1ccc(C2([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000540721734 1036140121 /nfs/dbraw/zinc/14/01/21/1036140121.db2.gz CAKFGGCFUARTKW-ZDUSSCGKSA-N 1 0 312.369 3.943 20 5 DHBDRO C[C@H](CCCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000088763159 1036215923 /nfs/dbraw/zinc/21/59/23/1036215923.db2.gz XYUJHHLDEOSMRW-GFCCVEGCSA-N 1 0 320.414 3.574 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc3ccc(F)cc3[nH]2)cc1 ZINC000486699262 1036365389 /nfs/dbraw/zinc/36/53/89/1036365389.db2.gz XIHBSPVNCJZRIK-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](OCCC(C)C)C1 ZINC000541772683 1036429138 /nfs/dbraw/zinc/42/91/38/1036429138.db2.gz HYSVMFGAKOQENN-KRWDZBQOSA-N 1 0 306.406 3.540 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOCc1ccccc1 ZINC000464852264 1036472391 /nfs/dbraw/zinc/47/23/91/1036472391.db2.gz QVHLQCYNNUAKLU-HNNXBMFYSA-N 1 0 314.385 3.804 20 5 DHBDRO Cc1cc(N[C@H]2CCCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542121833 1036516018 /nfs/dbraw/zinc/51/60/18/1036516018.db2.gz CUCPRGMQVVWRTK-NSHDSACASA-N 1 0 321.327 3.863 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001183371851 1036585051 /nfs/dbraw/zinc/58/50/51/1036585051.db2.gz UVFWYIRPVLUDSM-AKXCLDFRSA-N 1 0 318.442 3.683 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC000271902791 1036644964 /nfs/dbraw/zinc/64/49/64/1036644964.db2.gz VYYACGRXGPELGD-MLGOLLRUSA-N 1 0 312.369 3.942 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1ccc(F)cc1 ZINC000487561913 1036676500 /nfs/dbraw/zinc/67/65/00/1036676500.db2.gz PLJVTPLZQSBTLB-ZDUSSCGKSA-N 1 0 318.348 3.806 20 5 DHBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000271941058 1036713190 /nfs/dbraw/zinc/71/31/90/1036713190.db2.gz AQJLLGZQVMQARZ-UKPHBRMFSA-N 1 0 306.406 3.839 20 5 DHBDRO CCOc1cc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC001184839583 1036961243 /nfs/dbraw/zinc/96/12/43/1036961243.db2.gz MAXXGZVVCRLRAV-KGLIPLIRSA-N 1 0 321.421 3.526 20 5 DHBDRO CCOc1cc(C[N@H+](C)Cc2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000492795773 1037022294 /nfs/dbraw/zinc/02/22/94/1037022294.db2.gz ZGZBPIWPZWKNHX-UHFFFAOYSA-N 1 0 320.414 3.995 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000492829320 1037027074 /nfs/dbraw/zinc/02/70/74/1037027074.db2.gz KQNVNQMORGVHKH-HRCADAONSA-N 1 0 318.417 3.713 20 5 DHBDRO COc1ccc(C)cc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000775864255 1037051562 /nfs/dbraw/zinc/05/15/62/1037051562.db2.gz GXCDOEDXRXSPFF-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO Cc1ccc(C[N@@H+](C)Cc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000488570739 1037077378 /nfs/dbraw/zinc/07/73/78/1037077378.db2.gz DXIPGJSQBWQIEB-UHFFFAOYSA-N 1 0 302.349 3.983 20 5 DHBDRO COc1cc(C[N@H+]2CC=C(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000492970101 1037078156 /nfs/dbraw/zinc/07/81/56/1037078156.db2.gz ACTCJAITIWRTGE-UHFFFAOYSA-N 1 0 304.390 3.782 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000316564271 1037134737 /nfs/dbraw/zinc/13/47/37/1037134737.db2.gz JZWVLNJNGBSFAH-CYBMUJFWSA-N 1 0 309.410 3.526 20 5 DHBDRO CCC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774902335 1037191590 /nfs/dbraw/zinc/19/15/90/1037191590.db2.gz DYSUZZCMCMJIAU-GFCCVEGCSA-N 1 0 307.350 3.515 20 5 DHBDRO C[C@H]([NH2+]CCCCC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000282103110 1037237616 /nfs/dbraw/zinc/23/76/16/1037237616.db2.gz WEMYLUQXRDCOHR-AWEZNQCLSA-N 1 0 306.406 3.842 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc3cc(Cl)cnc3o2)cc1 ZINC001199580928 1037284282 /nfs/dbraw/zinc/28/42/82/1037284282.db2.gz CZFHFPUFMPQWPU-UHFFFAOYSA-N 1 0 317.732 3.679 20 5 DHBDRO C[C@H](Nc1ccsc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001186071115 1037301952 /nfs/dbraw/zinc/30/19/52/1037301952.db2.gz VMWJDWNEVSMWRH-RYUDHWBXSA-N 1 0 309.435 3.721 20 5 DHBDRO CCN(CCC[NH+](C)C)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001186130511 1037319677 /nfs/dbraw/zinc/31/96/77/1037319677.db2.gz BJLYDIZUFGCYCB-UHFFFAOYSA-N 1 0 320.220 3.680 20 5 DHBDRO Cc1ccccc1OCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521675 1037344439 /nfs/dbraw/zinc/34/44/39/1037344439.db2.gz JXTACSRKFOCEKQ-UHFFFAOYSA-N 1 0 320.776 3.725 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOc2ccccc2)C2CC2)c1 ZINC000490043027 1037592573 /nfs/dbraw/zinc/59/25/73/1037592573.db2.gz AYEIDLFJBQWKRV-UHFFFAOYSA-N 1 0 312.369 3.638 20 5 DHBDRO COc1cc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000490093173 1037613004 /nfs/dbraw/zinc/61/30/04/1037613004.db2.gz XMDHOOOMNOHTDF-VHDGCEQUSA-N 1 0 304.390 3.756 20 5 DHBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301124890 1037661264 /nfs/dbraw/zinc/66/12/64/1037661264.db2.gz PILWUYKQBZKHAO-LLVKDONJSA-N 1 0 317.311 3.508 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029484799 1037756772 /nfs/dbraw/zinc/75/67/72/1037756772.db2.gz DCLLTOAOYSJMPY-QGZVFWFLSA-N 1 0 312.369 3.723 20 5 DHBDRO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC001190485735 1038317910 /nfs/dbraw/zinc/31/79/10/1038317910.db2.gz QECYSRHFDRGBRR-SFHVURJKSA-N 1 0 320.433 3.921 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[C@H](C2CC2)O1 ZINC001190528945 1038337229 /nfs/dbraw/zinc/33/72/29/1038337229.db2.gz OPQVZPHOLMXYSS-QZTJIDSGSA-N 1 0 318.417 3.763 20 5 DHBDRO CCC[N@H+](CC)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001190605551 1038352763 /nfs/dbraw/zinc/35/27/63/1038352763.db2.gz OZPHVXSCLFJNSZ-UHFFFAOYSA-N 1 0 301.184 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H](F)C3)o2)cc1 ZINC000588930264 1038408550 /nfs/dbraw/zinc/40/85/50/1038408550.db2.gz STOGQOOTEKDCPD-CHWSQXEVSA-N 1 0 304.321 3.835 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC001190975695 1038411890 /nfs/dbraw/zinc/41/18/90/1038411890.db2.gz GPMSBKCOSDWAJX-GOSISDBHSA-N 1 0 316.401 3.926 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2[nH]ccc21 ZINC000589184933 1038444489 /nfs/dbraw/zinc/44/44/89/1038444489.db2.gz BVQQPIPFOHVKLB-UHFFFAOYSA-N 1 0 309.369 3.751 20 5 DHBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000589187854 1038444892 /nfs/dbraw/zinc/44/48/92/1038444892.db2.gz ZYIXGJCOQUATNG-OJJSLQOQSA-N 1 0 318.417 3.624 20 5 DHBDRO C[N@@H+](C/C=C/c1ccc(F)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000572801975 1038503924 /nfs/dbraw/zinc/50/39/24/1038503924.db2.gz INQJPSKIJHBGGJ-SNAWJCMRSA-N 1 0 314.360 3.922 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000589609048 1038519092 /nfs/dbraw/zinc/51/90/92/1038519092.db2.gz XBPBEBXIVXPWLA-CYBMUJFWSA-N 1 0 309.410 3.526 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cs1 ZINC000589743975 1038535262 /nfs/dbraw/zinc/53/52/62/1038535262.db2.gz VKOWHAMJPSQMSM-RRFJBIMHSA-N 1 0 324.446 3.562 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000590158458 1038593692 /nfs/dbraw/zinc/59/36/92/1038593692.db2.gz GUUIQCLRVYPLBH-CQSZACIVSA-N 1 0 314.307 3.988 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590601793 1038675645 /nfs/dbraw/zinc/67/56/45/1038675645.db2.gz QMHUTOLJWFFCFN-CABCVRRESA-N 1 0 311.385 3.930 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)CCCC2 ZINC000591347989 1038834674 /nfs/dbraw/zinc/83/46/74/1038834674.db2.gz PBUWKHQXQCZGEJ-QIIPPGSGSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCCCCC3)c2c1 ZINC000573358832 1038906865 /nfs/dbraw/zinc/90/68/65/1038906865.db2.gz PVCKEMLDPGZITP-UHFFFAOYSA-N 1 0 301.390 3.931 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000058093298 1038917648 /nfs/dbraw/zinc/91/76/48/1038917648.db2.gz CGSNJLIJJAAGET-UHFFFAOYSA-N 1 0 324.302 3.946 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000598989925 1038968611 /nfs/dbraw/zinc/96/86/11/1038968611.db2.gz WDXRGWISLTWCIE-HYVNUMGLSA-N 1 0 314.772 3.676 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCCOC1)CCCC2 ZINC000599058079 1039015477 /nfs/dbraw/zinc/01/54/77/1039015477.db2.gz QQVVOQBVYJPOFU-KBXCAEBGSA-N 1 0 318.417 3.769 20 5 DHBDRO Cc1ncccc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000599072780 1039030737 /nfs/dbraw/zinc/03/07/37/1039030737.db2.gz HVUWGAOFSNDINW-SFHVURJKSA-N 1 0 311.385 3.856 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593695215 1039082393 /nfs/dbraw/zinc/08/23/93/1039082393.db2.gz IKZPEBYIAPLIJI-OAHLLOKOSA-N 1 0 310.344 3.949 20 5 DHBDRO CC(C)[C@H](CNCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000603633482 1039093891 /nfs/dbraw/zinc/09/38/91/1039093891.db2.gz PFTGKXAXGDYFNJ-SFHVURJKSA-N 1 0 319.449 3.585 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000592144703 1039128060 /nfs/dbraw/zinc/12/80/60/1039128060.db2.gz JHTKYAAQHVWPRA-UHFFFAOYSA-N 1 0 300.333 3.903 20 5 DHBDRO C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000603847238 1039183127 /nfs/dbraw/zinc/18/31/27/1039183127.db2.gz KRFHLEZWGCYHIN-OAGGEKHMSA-N 1 0 318.417 3.874 20 5 DHBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000604012071 1039279583 /nfs/dbraw/zinc/27/95/83/1039279583.db2.gz GRBZOWCWXCPHHC-UHFFFAOYSA-N 1 0 318.348 3.635 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCc1ccccc1 ZINC000058580847 1039292722 /nfs/dbraw/zinc/29/27/22/1039292722.db2.gz WILHOHWDNQJUIQ-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000592397888 1039444663 /nfs/dbraw/zinc/44/46/63/1039444663.db2.gz GECJXAABWCNFDP-KNXALSJPSA-N 1 0 306.431 3.846 20 5 DHBDRO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000592398081 1039445467 /nfs/dbraw/zinc/44/54/67/1039445467.db2.gz HVBOIYKIANGCBC-VQISRLSMSA-N 1 0 306.431 3.801 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000592401487 1039460705 /nfs/dbraw/zinc/46/07/05/1039460705.db2.gz XOTHHXFOEYMOOJ-GVXVVHGQSA-N 1 0 310.419 3.538 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000592401486 1039461205 /nfs/dbraw/zinc/46/12/05/1039461205.db2.gz XOTHHXFOEYMOOJ-GMXVVIOVSA-N 1 0 310.419 3.538 20 5 DHBDRO CC1=C(c2ccco2)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000574465496 1039681980 /nfs/dbraw/zinc/68/19/80/1039681980.db2.gz IQAGGWWRTUJKMB-UHFFFAOYSA-N 1 0 312.369 3.910 20 5 DHBDRO COc1ccccc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594489969 1039794293 /nfs/dbraw/zinc/79/42/93/1039794293.db2.gz IITRKPDVHWCYPI-LRDDRELGSA-N 1 0 312.369 3.942 20 5 DHBDRO CC(C)OC1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594501113 1039799338 /nfs/dbraw/zinc/79/93/38/1039799338.db2.gz ICTOFJCKSMCJMJ-KVULBXGLSA-N 1 0 318.417 3.908 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000594510452 1039813293 /nfs/dbraw/zinc/81/32/93/1039813293.db2.gz AANMDFWUHZUABK-STQMWFEESA-N 1 0 322.405 3.532 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccccn1 ZINC000594514962 1039816338 /nfs/dbraw/zinc/81/63/38/1039816338.db2.gz NKSLUTRJKVYZGB-GJZGRUSLSA-N 1 0 313.401 3.532 20 5 DHBDRO CC[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594512870 1039816876 /nfs/dbraw/zinc/81/68/76/1039816876.db2.gz SFJGSKHTLUCRMK-RCCFBDPRSA-N 1 0 318.417 3.983 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000594523881 1039827657 /nfs/dbraw/zinc/82/76/57/1039827657.db2.gz UPXZNRBFZJQLFD-GMNBZTITSA-N 1 0 316.401 3.689 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)F)nc1 ZINC000595015222 1039980371 /nfs/dbraw/zinc/98/03/71/1039980371.db2.gz YYWDVLMRLUQDMY-LLVKDONJSA-N 1 0 321.327 3.821 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000595023487 1039987861 /nfs/dbraw/zinc/98/78/61/1039987861.db2.gz ZJJWQKUCJUHAEI-IAQYHMDHSA-N 1 0 310.419 3.540 20 5 DHBDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000594989601 1040004112 /nfs/dbraw/zinc/00/41/12/1040004112.db2.gz VCRTYKLEPUCUHL-CHWSQXEVSA-N 1 0 324.446 3.872 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000594991232 1040007534 /nfs/dbraw/zinc/00/75/34/1040007534.db2.gz GNYBJPAVARBSFS-JOHMGYAOSA-N 1 0 310.344 3.879 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000595003885 1040013771 /nfs/dbraw/zinc/01/37/71/1040013771.db2.gz MSAAOWAEDKXWTE-NWDGAFQWSA-N 1 0 320.414 3.947 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000595003288 1040013998 /nfs/dbraw/zinc/01/39/98/1040013998.db2.gz GAHSXOIROHGUMV-OLZOCXBDSA-N 1 0 318.373 3.868 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000595056655 1040021676 /nfs/dbraw/zinc/02/16/76/1040021676.db2.gz PAZVEVOZHVVGKW-UKRRQHHQSA-N 1 0 306.406 3.759 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[C@@H]1CCCCO1 ZINC000595031068 1040040107 /nfs/dbraw/zinc/04/01/07/1040040107.db2.gz DLXNNBDCWYYWJH-ZFWWWQNUSA-N 1 0 322.405 3.603 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000595036940 1040042973 /nfs/dbraw/zinc/04/29/73/1040042973.db2.gz XXGYOOOQZATYCM-JTQLQIEISA-N 1 0 314.332 3.832 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000595047292 1040046529 /nfs/dbraw/zinc/04/65/29/1040046529.db2.gz CXJGKROKVZININ-ACJLOTCBSA-N 1 0 311.385 3.761 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCCO1 ZINC000595046206 1040047016 /nfs/dbraw/zinc/04/70/16/1040047016.db2.gz JUNAUGIXZSUWEJ-UHOFOFEASA-N 1 0 322.405 3.602 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC(C)(C)C1 ZINC000595047946 1040051173 /nfs/dbraw/zinc/05/11/73/1040051173.db2.gz INUKWNZXWMJLDL-STQMWFEESA-N 1 0 324.446 3.623 20 5 DHBDRO CCSC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000595101488 1040067105 /nfs/dbraw/zinc/06/71/05/1040067105.db2.gz VKRGFKNGIDVETM-ZDUSSCGKSA-N 1 0 308.447 3.791 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000595104716 1040067322 /nfs/dbraw/zinc/06/73/22/1040067322.db2.gz SJCCDVDWJGEIBG-DEYYWGMASA-N 1 0 314.385 3.676 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000595079276 1040072300 /nfs/dbraw/zinc/07/23/00/1040072300.db2.gz JLMKXLRLBOLRMS-YDHLFZDLSA-N 1 0 322.405 3.602 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000595093497 1040078512 /nfs/dbraw/zinc/07/85/12/1040078512.db2.gz BPKUSMNUAFCSIA-CXAGYDPISA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000595091870 1040079521 /nfs/dbraw/zinc/07/95/21/1040079521.db2.gz KIAXOVYWENMIBM-SMDDNHRTSA-N 1 0 312.360 3.797 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2C)c1[N+](=O)[O-] ZINC000595327689 1040100263 /nfs/dbraw/zinc/10/02/63/1040100263.db2.gz QLAKABYTJFVNND-HNNXBMFYSA-N 1 0 315.373 3.845 20 5 DHBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595345178 1040105195 /nfs/dbraw/zinc/10/51/95/1040105195.db2.gz PVSNSAXXIFCIIQ-HNNXBMFYSA-N 1 0 317.389 3.734 20 5 DHBDRO CCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000595367412 1040126834 /nfs/dbraw/zinc/12/68/34/1040126834.db2.gz QMSRWVKFZCUFGJ-HNNXBMFYSA-N 1 0 310.369 3.515 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c(F)c1 ZINC000595500709 1040156368 /nfs/dbraw/zinc/15/63/68/1040156368.db2.gz KGKNTAHHXWCDNL-AWEZNQCLSA-N 1 0 315.348 3.509 20 5 DHBDRO CCC(C)(C)[C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595641458 1040211478 /nfs/dbraw/zinc/21/14/78/1040211478.db2.gz MTQGCNBLXFQABM-CYBMUJFWSA-N 1 0 321.421 3.646 20 5 DHBDRO COc1ccc(C[N@@H+]2CC3CC2(c2ccccc2)C3)cc1[N+](=O)[O-] ZINC000595909797 1040273356 /nfs/dbraw/zinc/27/33/56/1040273356.db2.gz DMFLIIAWUGANRS-UHFFFAOYSA-N 1 0 324.380 3.725 20 5 DHBDRO CC[NH+]1CCC(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596061201 1040297553 /nfs/dbraw/zinc/29/75/53/1040297553.db2.gz DEKOGATVMBZVGB-UHFFFAOYSA-N 1 0 317.311 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3ccco3)o2)cc1 ZINC000608835410 1040624990 /nfs/dbraw/zinc/62/49/90/1040624990.db2.gz APRRYZPWKGMDEW-UHFFFAOYSA-N 1 0 312.325 3.780 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CNc3ccccc3C1)CCC2 ZINC000593319526 1040717733 /nfs/dbraw/zinc/71/77/33/1040717733.db2.gz MNGJVRYDKSIMTI-BEFAXECRSA-N 1 0 323.396 3.599 20 5 DHBDRO CC[C@@]1(C)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534107171 1040720236 /nfs/dbraw/zinc/72/02/36/1040720236.db2.gz MIZHCNYHHYSUGH-KRWDZBQOSA-N 1 0 315.373 3.872 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000602019002 1040865182 /nfs/dbraw/zinc/86/51/82/1040865182.db2.gz DEOQCNZRFCFHRO-UKRRQHHQSA-N 1 0 311.385 3.845 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000594510450 1040875991 /nfs/dbraw/zinc/87/59/91/1040875991.db2.gz AANMDFWUHZUABK-OLZOCXBDSA-N 1 0 322.405 3.532 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)Cc1ccccn1 ZINC000594520050 1040878933 /nfs/dbraw/zinc/87/89/33/1040878933.db2.gz YGMKQOGLBSAKQX-LTBFUDJGSA-N 1 0 311.385 3.614 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCc1ccco1 ZINC000602504510 1041071112 /nfs/dbraw/zinc/07/11/12/1041071112.db2.gz SATVAVNKMIGWGY-UHFFFAOYSA-N 1 0 314.263 3.539 20 5 DHBDRO C[C@H](Cc1cccs1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602509737 1041077358 /nfs/dbraw/zinc/07/73/58/1041077358.db2.gz JLTKJWHZKZZMEQ-SNVBAGLBSA-N 1 0 317.370 3.518 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCc3cccs3)nc2c1 ZINC000602575731 1041111453 /nfs/dbraw/zinc/11/14/53/1041111453.db2.gz IWQLWBSNNVTOMM-UHFFFAOYSA-N 1 0 317.370 3.520 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(Cc4ccccc4)CC3)nc2c1 ZINC000602617515 1041118236 /nfs/dbraw/zinc/11/82/36/1041118236.db2.gz UFSHDZVPPVEJTK-UHFFFAOYSA-N 1 0 323.352 3.601 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]CC1CCSCC1 ZINC000602605849 1041125101 /nfs/dbraw/zinc/12/51/01/1041125101.db2.gz SYNSWZHQGPXTRA-UHFFFAOYSA-N 1 0 314.838 3.524 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000602693467 1041155197 /nfs/dbraw/zinc/15/51/97/1041155197.db2.gz RUZJYLVSQCKIOV-PEGIJTEDSA-N 1 0 300.280 3.502 20 5 DHBDRO CC(C)C1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602677056 1041158695 /nfs/dbraw/zinc/15/86/95/1041158695.db2.gz RIDXQLQTTOADCE-UHFFFAOYSA-N 1 0 319.224 3.697 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCc1ccoc1 ZINC000602707834 1041169412 /nfs/dbraw/zinc/16/94/12/1041169412.db2.gz BBXJPSXPGZMHMA-UHFFFAOYSA-N 1 0 314.263 3.539 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602715378 1041173051 /nfs/dbraw/zinc/17/30/51/1041173051.db2.gz GRUNRKHPQZSFKZ-JTQLQIEISA-N 1 0 319.224 3.697 20 5 DHBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc2ccccc2c2cccnc12 ZINC000236883508 202050948 /nfs/dbraw/zinc/05/09/48/202050948.db2.gz OEUJOKXDCVSDKD-HNNXBMFYSA-N 1 0 321.424 3.635 20 5 DHBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093317018 193230209 /nfs/dbraw/zinc/23/02/09/193230209.db2.gz PZWYHAGZBCAPGU-INIZCTEOSA-N 1 0 306.406 3.684 20 5 DHBDRO COCC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272315688 130020074 /nfs/dbraw/zinc/02/00/74/130020074.db2.gz PKRPJWLBZZTVKG-HNNXBMFYSA-N 1 0 318.373 3.672 20 5 DHBDRO COCC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272315689 130021068 /nfs/dbraw/zinc/02/10/68/130021068.db2.gz PKRPJWLBZZTVKG-OAHLLOKOSA-N 1 0 318.373 3.672 20 5 DHBDRO COCC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272452032 130031819 /nfs/dbraw/zinc/03/18/19/130031819.db2.gz MQGYFQGHUXFQEP-WFASDCNBSA-N 1 0 304.346 3.616 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000272600606 130045883 /nfs/dbraw/zinc/04/58/83/130045883.db2.gz IXXARQUYVAMCDR-VIFPVBQESA-N 1 0 311.794 3.598 20 5 DHBDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000282316057 130913621 /nfs/dbraw/zinc/91/36/21/130913621.db2.gz UDCSBZBJDOIZLU-DZKIICNBSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCC23CCOCC3)cccc1[N+](=O)[O-] ZINC000282724397 130937314 /nfs/dbraw/zinc/93/73/14/130937314.db2.gz METNRHANNPBWFN-RHSMWYFYSA-N 1 0 318.417 3.903 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CCOCC2)CC1 ZINC000284695247 131104539 /nfs/dbraw/zinc/10/45/39/131104539.db2.gz HSDRHDLPMREPIH-OAHLLOKOSA-N 1 0 318.417 3.857 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285225215 131149476 /nfs/dbraw/zinc/14/94/76/131149476.db2.gz OZZPYJVHNGMVEA-SNVBAGLBSA-N 1 0 321.327 3.965 20 5 DHBDRO COc1ccc(C[N@H+](C)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000286951546 131257351 /nfs/dbraw/zinc/25/73/51/131257351.db2.gz MQEWBRTWHMIGFI-UHFFFAOYSA-N 1 0 314.332 3.613 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCC(F)(F)CC1 ZINC000286957386 131257768 /nfs/dbraw/zinc/25/77/68/131257768.db2.gz MZRPWDPGQBCRDL-UHFFFAOYSA-N 1 0 314.332 3.613 20 5 DHBDRO CCOC(=O)CC(C)(C)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000287702260 131295662 /nfs/dbraw/zinc/29/56/62/131295662.db2.gz JGNAQWNAJIZUBJ-CYBMUJFWSA-N 1 0 322.405 3.615 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1csc(C)c1 ZINC000297866649 132037635 /nfs/dbraw/zinc/03/76/35/132037635.db2.gz UITGTPKASYVEFM-LLVKDONJSA-N 1 0 306.387 3.824 20 5 DHBDRO COCc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119573797 132134535 /nfs/dbraw/zinc/13/45/35/132134535.db2.gz MJCVPZPUWDKVSZ-CYBMUJFWSA-N 1 0 300.358 3.592 20 5 DHBDRO CCC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000090084276 331821837 /nfs/dbraw/zinc/82/18/37/331821837.db2.gz SSCRAIYJBXKCCM-XJKSGUPXSA-N 1 0 308.422 3.823 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000126038442 331992705 /nfs/dbraw/zinc/99/27/05/331992705.db2.gz TWQHBTMVOCIXFT-CHWSQXEVSA-N 1 0 316.323 3.848 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000126051664 331992754 /nfs/dbraw/zinc/99/27/54/331992754.db2.gz YKMBNCSLGHQQCG-LBPRGKRZSA-N 1 0 315.329 3.662 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000518275214 332005407 /nfs/dbraw/zinc/00/54/07/332005407.db2.gz AQRICEOITMCQBV-GJZGRUSLSA-N 1 0 306.406 3.908 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000129405081 332018888 /nfs/dbraw/zinc/01/88/88/332018888.db2.gz UFDLWIQWBDWSRV-OAHLLOKOSA-N 1 0 314.341 3.564 20 5 DHBDRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000142080271 332150164 /nfs/dbraw/zinc/15/01/64/332150164.db2.gz NSCICNJVHHVXMU-WOPDTQHZSA-N 1 0 318.377 3.730 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000448020061 332178642 /nfs/dbraw/zinc/17/86/42/332178642.db2.gz AGAUUPGHIUGBEN-DZKIICNBSA-N 1 0 320.458 3.649 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000584302232 332230452 /nfs/dbraw/zinc/23/04/52/332230452.db2.gz XDKTZIBBLGFRHX-DLBZAZTESA-N 1 0 312.344 3.998 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CO1 ZINC000583381035 332376307 /nfs/dbraw/zinc/37/63/07/332376307.db2.gz SLINLCBVHCFJAK-YPMHNXCESA-N 1 0 318.398 3.590 20 5 DHBDRO CC1(C)CCC(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000408359568 332494466 /nfs/dbraw/zinc/49/44/66/332494466.db2.gz VDBKKOLLWKXLGS-UHFFFAOYSA-N 1 0 320.437 3.645 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C2CC(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000562105546 332546641 /nfs/dbraw/zinc/54/66/41/332546641.db2.gz BMBNUOYMJGLCDY-GCVQQVDUSA-N 1 0 302.296 3.895 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000566750216 332557521 /nfs/dbraw/zinc/55/75/21/332557521.db2.gz NHOATKQPSJSHDM-CJNGLKHVSA-N 1 0 304.390 3.737 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000152735154 332564529 /nfs/dbraw/zinc/56/45/29/332564529.db2.gz PVKFZPCJKBXMDN-GFCCVEGCSA-N 1 0 318.348 3.983 20 5 DHBDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000570207532 332725799 /nfs/dbraw/zinc/72/57/99/332725799.db2.gz PQPXAIGDABEGSH-HNNXBMFYSA-N 1 0 313.401 3.808 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000518763443 333006957 /nfs/dbraw/zinc/00/69/57/333006957.db2.gz LJPDSAPKHZKGCG-HNNXBMFYSA-N 1 0 319.449 3.682 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H]1CCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000314227081 333095380 /nfs/dbraw/zinc/09/53/80/333095380.db2.gz UQDYAWSIKZXXHT-IAGOWNOFSA-N 1 0 305.422 3.510 20 5 DHBDRO CO[C@](C)(C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000462815414 333118737 /nfs/dbraw/zinc/11/87/37/333118737.db2.gz CZMNCOMDTGMOTB-FUHWJXTLSA-N 1 0 318.417 3.722 20 5 DHBDRO Cc1cc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000462933917 333132417 /nfs/dbraw/zinc/13/24/17/333132417.db2.gz YCEIEUOJMIBNMK-MRXNPFEDSA-N 1 0 303.406 3.580 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000178719396 333142925 /nfs/dbraw/zinc/14/29/25/333142925.db2.gz QTDLWKBVXLFSRB-YVEFUNNKSA-N 1 0 316.405 3.829 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@@H]1c1ccccc1 ZINC000582132215 333152541 /nfs/dbraw/zinc/15/25/41/333152541.db2.gz FBEUMJFXZXEQSH-JENIJYKNSA-N 1 0 324.380 3.702 20 5 DHBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000582035753 333177047 /nfs/dbraw/zinc/17/70/47/333177047.db2.gz UONCBIKJVLJSQE-CYBMUJFWSA-N 1 0 316.405 3.675 20 5 DHBDRO CCN(Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193631946 333305119 /nfs/dbraw/zinc/30/51/19/333305119.db2.gz OVRCZPSFBLRZMH-UHFFFAOYSA-N 1 0 321.358 3.587 20 5 DHBDRO COc1ccc(CN2C[C@H](C)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000531378410 333347577 /nfs/dbraw/zinc/34/75/77/333347577.db2.gz ITQGUHQGJULZMN-SCLBCKFNSA-N 1 0 312.369 3.796 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000061328785 333427601 /nfs/dbraw/zinc/42/76/01/333427601.db2.gz QTCMEZIFLMFPBK-OAHLLOKOSA-N 1 0 302.399 3.866 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000125076259 333506903 /nfs/dbraw/zinc/50/69/03/333506903.db2.gz DHJNPHIHEPTOTL-AWEZNQCLSA-N 1 0 314.385 3.720 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000531701768 333547809 /nfs/dbraw/zinc/54/78/09/333547809.db2.gz FZFFFINPUBHVLI-KSSFIOAISA-N 1 0 314.385 3.942 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000343359586 335159476 /nfs/dbraw/zinc/15/94/76/335159476.db2.gz LVKSKKIXKDRPHC-HNNXBMFYSA-N 1 0 303.362 3.683 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000414152806 333903884 /nfs/dbraw/zinc/90/38/84/333903884.db2.gz YHYYAGFISWJTIX-AEGPPILISA-N 1 0 322.405 3.600 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)[C@@H](C)O1 ZINC000414264751 333929872 /nfs/dbraw/zinc/92/98/72/333929872.db2.gz QSSBHNCURWOIAS-HPTBWKMGSA-N 1 0 318.417 3.720 20 5 DHBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414615993 334042124 /nfs/dbraw/zinc/04/21/24/334042124.db2.gz HKDUMGPGARODRC-CFRMROPGSA-N 1 0 316.361 3.584 20 5 DHBDRO CC(C)c1ccc(CNC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000414830919 334110500 /nfs/dbraw/zinc/11/05/00/334110500.db2.gz MNIYYFLOEIYQRT-QGZVFWFLSA-N 1 0 313.401 3.508 20 5 DHBDRO CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000343604066 335176427 /nfs/dbraw/zinc/17/64/27/335176427.db2.gz IDFYHPGKIVEHHK-CYBMUJFWSA-N 1 0 318.377 3.559 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000438484195 334119468 /nfs/dbraw/zinc/11/94/68/334119468.db2.gz HMAWXJGDZOIGEZ-ZDUSSCGKSA-N 1 0 304.312 3.970 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000290222973 334171868 /nfs/dbraw/zinc/17/18/68/334171868.db2.gz IDODAXBMBMFBIS-PMUMKWKESA-N 1 0 314.385 3.676 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N1CCC[C@H](C)C1 ZINC000531937944 334295750 /nfs/dbraw/zinc/29/57/50/334295750.db2.gz ZFLMOJVPHOXSIH-IMJJTQAJSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1nc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000531942522 334302390 /nfs/dbraw/zinc/30/23/90/334302390.db2.gz ZBYVSODYYMIZCJ-LLVKDONJSA-N 1 0 305.403 3.561 20 5 DHBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534841852 334339349 /nfs/dbraw/zinc/33/93/49/334339349.db2.gz GAINNTTUHMWVAK-IUODEOHRSA-N 1 0 315.373 3.870 20 5 DHBDRO CCC(CC)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341597097 334460464 /nfs/dbraw/zinc/46/04/64/334460464.db2.gz NQGOWOISCJPAGB-MRXNPFEDSA-N 1 0 316.405 3.595 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000342771862 334575163 /nfs/dbraw/zinc/57/51/63/334575163.db2.gz WOSRPYACMLFEPI-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO Cc1cncc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417312320 334705337 /nfs/dbraw/zinc/70/53/37/334705337.db2.gz RVXUVBOOVNKJME-GOSISDBHSA-N 1 0 311.385 3.856 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)CCCC2 ZINC000417355131 334707097 /nfs/dbraw/zinc/70/70/97/334707097.db2.gz FJVLISBYDCNOBR-JCKWVBRZSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)CCCC2 ZINC000417355132 334707191 /nfs/dbraw/zinc/70/71/91/334707191.db2.gz FJVLISBYDCNOBR-QIIPPGSGSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1COCc3ccccc31)CCC2 ZINC000417373961 334765001 /nfs/dbraw/zinc/76/50/01/334765001.db2.gz YPVIOSIALYUBOM-RBUKOAKNSA-N 1 0 324.380 3.833 20 5 DHBDRO COCC[C@@H](C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417379457 334769219 /nfs/dbraw/zinc/76/92/19/334769219.db2.gz UORQAPOABZVRMN-CXAGYDPISA-N 1 0 306.406 3.625 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330641671 334794719 /nfs/dbraw/zinc/79/47/19/334794719.db2.gz QPWNIACNIPPHKE-ZFWWWQNUSA-N 1 0 306.406 3.623 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000330650334 334795293 /nfs/dbraw/zinc/79/52/93/334795293.db2.gz JNUWPURMLNYENP-VBQJREDUSA-N 1 0 306.406 3.757 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(CC(F)F)C3)o2)cc1 ZINC000425363835 334839412 /nfs/dbraw/zinc/83/94/12/334839412.db2.gz DABYIKMJLPAGIA-UHFFFAOYSA-N 1 0 322.311 3.942 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000343925809 335202535 /nfs/dbraw/zinc/20/25/35/335202535.db2.gz IMSHNRCCNWAUMP-WMLDXEAASA-N 1 0 312.369 3.812 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000344339232 335242461 /nfs/dbraw/zinc/24/24/61/335242461.db2.gz WGTZJKLPPSBTQU-VBNZEHGJSA-N 1 0 304.390 3.593 20 5 DHBDRO Cc1cccc(C(C)(C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444684764 338482272 /nfs/dbraw/zinc/48/22/72/338482272.db2.gz NXOLKGWWVCXYAL-UHFFFAOYSA-N 1 0 324.384 3.804 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000348307367 335574951 /nfs/dbraw/zinc/57/49/51/335574951.db2.gz IIJYAXUEENBIPN-CYBMUJFWSA-N 1 0 302.378 3.531 20 5 DHBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000166244844 335629013 /nfs/dbraw/zinc/62/90/13/335629013.db2.gz NITMPUDKPHPKAQ-MAZHCROVSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000331545439 336139771 /nfs/dbraw/zinc/13/97/71/336139771.db2.gz HLCLWDALEHLQII-WKPIXPDZSA-N 1 0 306.431 3.658 20 5 DHBDRO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C(C)(C)C1 ZINC000332107744 336159193 /nfs/dbraw/zinc/15/91/93/336159193.db2.gz FOVDPPXKGKMWES-GFCCVEGCSA-N 1 0 315.373 3.870 20 5 DHBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332210066 336162870 /nfs/dbraw/zinc/16/28/70/336162870.db2.gz VMIOCNYWMFDBAP-AAEUAGOBSA-N 1 0 302.378 3.530 20 5 DHBDRO C[C@H]1CCC[C@H](CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000332339425 336169136 /nfs/dbraw/zinc/16/91/36/336169136.db2.gz VIGGPVVQTZUSGH-LSDHHAIUSA-N 1 0 320.437 3.645 20 5 DHBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352370652 336214706 /nfs/dbraw/zinc/21/47/06/336214706.db2.gz BPAVYRXJFNJGQY-UONOGXRCSA-N 1 0 316.373 3.637 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000352546540 336223888 /nfs/dbraw/zinc/22/38/88/336223888.db2.gz WRBFQRBAVPKMGZ-MAUKXSAKSA-N 1 0 318.417 3.857 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352609495 336226814 /nfs/dbraw/zinc/22/68/14/336226814.db2.gz UGVJMSDOWOHXDO-OCCSQVGLSA-N 1 0 312.410 3.840 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Cl)c(F)c2)cc1 ZINC000043389973 336255207 /nfs/dbraw/zinc/25/52/07/336255207.db2.gz OTPMXYUSLZUYDJ-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccccc1O)CCC2 ZINC000192801519 336264557 /nfs/dbraw/zinc/26/45/57/336264557.db2.gz LAIPTEYBOZFTKX-QGZVFWFLSA-N 1 0 312.369 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCSC3)s2)cc1 ZINC000526992021 336278187 /nfs/dbraw/zinc/27/81/87/336278187.db2.gz VBBDZEQXWVAOTE-LBPRGKRZSA-N 1 0 320.439 3.918 20 5 DHBDRO CC[C@H](NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193024044 336287113 /nfs/dbraw/zinc/28/71/13/336287113.db2.gz GHRZLEIRTMVLOF-KRWDZBQOSA-N 1 0 305.422 3.512 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])cc1F ZINC000301104097 336290268 /nfs/dbraw/zinc/29/02/68/336290268.db2.gz PFQQCCULEWGDFN-ZDUSSCGKSA-N 1 0 309.385 3.800 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000301547161 336313954 /nfs/dbraw/zinc/31/39/54/336313954.db2.gz PMIOADPAVHQVBU-INIZCTEOSA-N 1 0 317.433 3.687 20 5 DHBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000301842162 336333639 /nfs/dbraw/zinc/33/36/39/336333639.db2.gz QBKOTKDIDHLHIL-SJORKVTESA-N 1 0 315.348 3.591 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000301986409 336341469 /nfs/dbraw/zinc/34/14/69/336341469.db2.gz MHQRJUSWOJJNMQ-CVEARBPZSA-N 1 0 317.433 3.686 20 5 DHBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000301990861 336341794 /nfs/dbraw/zinc/34/17/94/336341794.db2.gz PJLHYXZMLSHZGE-INIZCTEOSA-N 1 0 317.433 3.543 20 5 DHBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000301998033 336342146 /nfs/dbraw/zinc/34/21/46/336342146.db2.gz QMXXGGZNZNKPMZ-UHFFFAOYSA-N 1 0 309.435 3.723 20 5 DHBDRO O=[N+]([O-])c1ccsc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000302044611 336345055 /nfs/dbraw/zinc/34/50/55/336345055.db2.gz XMQAYRLRVVSATH-UHFFFAOYSA-N 1 0 309.435 3.865 20 5 DHBDRO C[C@@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000320902645 336384308 /nfs/dbraw/zinc/38/43/08/336384308.db2.gz ZWJUVKCGXBSNIP-IIDMSEBBSA-N 1 0 319.449 3.756 20 5 DHBDRO CC[C@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000386104477 336388707 /nfs/dbraw/zinc/38/87/07/336388707.db2.gz IUZBJVSLXPTISF-DLBZAZTESA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)Cc2ccccc2F)cccc1[N+](=O)[O-] ZINC000389497273 336396313 /nfs/dbraw/zinc/39/63/13/336396313.db2.gz UNKZCGSMTRAOPV-GFCCVEGCSA-N 1 0 302.349 3.763 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000357991822 336605272 /nfs/dbraw/zinc/60/52/72/336605272.db2.gz JMJAFVKYBAPXEQ-INIZCTEOSA-N 1 0 300.358 3.844 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](CCO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000361678236 336768351 /nfs/dbraw/zinc/76/83/51/336768351.db2.gz PHYUKAGANUGIEZ-YOEHRIQHSA-N 1 0 314.385 3.678 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000370167106 336878999 /nfs/dbraw/zinc/87/89/99/336878999.db2.gz JJUOIXFECBBWAG-ACJLOTCBSA-N 1 0 312.369 3.559 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000372094753 336921908 /nfs/dbraw/zinc/92/19/08/336921908.db2.gz LPDINQWZLOFJQJ-MORSLUCNSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000372094754 336921933 /nfs/dbraw/zinc/92/19/33/336921933.db2.gz LPDINQWZLOFJQJ-VHSSKADRSA-N 1 0 318.417 3.759 20 5 DHBDRO C[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCC12CCOCC2 ZINC000375240401 337006488 /nfs/dbraw/zinc/00/64/88/337006488.db2.gz XDMVVTICNBDFMQ-LBPRGKRZSA-N 1 0 324.808 3.639 20 5 DHBDRO C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000376124918 337027756 /nfs/dbraw/zinc/02/77/56/337027756.db2.gz ABIGMAADEKAUNL-AWEZNQCLSA-N 1 0 311.385 3.762 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000376342291 337031755 /nfs/dbraw/zinc/03/17/55/337031755.db2.gz WYHBZVCZAFDJEV-HOCLYGCPSA-N 1 0 318.417 3.713 20 5 DHBDRO CSC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000193658416 337078872 /nfs/dbraw/zinc/07/88/72/337078872.db2.gz CYYIPPKVBZCMPV-UHFFFAOYSA-N 1 0 318.398 3.840 20 5 DHBDRO Cc1csc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c1 ZINC000393312186 337091966 /nfs/dbraw/zinc/09/19/66/337091966.db2.gz SXYMBTGUCIJHCQ-UHFFFAOYSA-N 1 0 313.382 3.855 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC4(CCCC4)C3)nc2c1 ZINC000177162983 337154573 /nfs/dbraw/zinc/15/45/73/337154573.db2.gz BNQRNNLHDCIWHE-UHFFFAOYSA-N 1 0 301.346 3.502 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000180651031 337176968 /nfs/dbraw/zinc/17/69/68/337176968.db2.gz DYWDWMNGZFEHBT-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO Cc1nc([C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000189799760 337282077 /nfs/dbraw/zinc/28/20/77/337282077.db2.gz VEMSFLRLXAZEHV-OAHLLOKOSA-N 1 0 303.387 3.697 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH2+]Cc2ccccc21 ZINC000420292987 337498641 /nfs/dbraw/zinc/49/86/41/337498641.db2.gz MFHAGSAPKMGQLE-CQSZACIVSA-N 1 0 311.385 3.574 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]3OCC[C@H]31)CCC2 ZINC000253354813 337600582 /nfs/dbraw/zinc/60/05/82/337600582.db2.gz MQJPASGFRNQEKP-DZOHQFGASA-N 1 0 316.401 3.519 20 5 DHBDRO CCC[C@@H]([NH2+]CCCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000321502869 337632085 /nfs/dbraw/zinc/63/20/85/337632085.db2.gz UYLNCYNMYYSYSG-QGZVFWFLSA-N 1 0 316.405 3.703 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCCC2(O)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000421857075 337650664 /nfs/dbraw/zinc/65/06/64/337650664.db2.gz OGTMDGOZZXSKRS-INIZCTEOSA-N 1 0 318.417 3.602 20 5 DHBDRO C[C@H]([NH2+]CCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000536875355 337790624 /nfs/dbraw/zinc/79/06/24/337790624.db2.gz HSEZDUJWBLATSW-LBPRGKRZSA-N 1 0 320.776 3.978 20 5 DHBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089883472 337874714 /nfs/dbraw/zinc/87/47/14/337874714.db2.gz XFDCSVSPKCCGLV-CHWSQXEVSA-N 1 0 315.373 3.728 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000098173023 337960241 /nfs/dbraw/zinc/96/02/41/337960241.db2.gz NSWNAWDUHOPDPX-INIZCTEOSA-N 1 0 316.332 3.737 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccccc1N(C)C ZINC000515919211 338001170 /nfs/dbraw/zinc/00/11/70/338001170.db2.gz DRFGGRREDNIHFH-UHFFFAOYSA-N 1 0 313.401 3.601 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]4CCC[C@H]43)co2)cc1 ZINC000426473123 338033319 /nfs/dbraw/zinc/03/33/19/338033319.db2.gz QNAQDRQHPIIIJQ-MLGOLLRUSA-N 1 0 313.357 3.624 20 5 DHBDRO C[C@]12CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000430081239 338095139 /nfs/dbraw/zinc/09/51/39/338095139.db2.gz AIWQFXLRESIBJL-WBNAFJIESA-N 1 0 308.328 3.585 20 5 DHBDRO C[C@]12CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000430081233 338095145 /nfs/dbraw/zinc/09/51/45/338095145.db2.gz AIWQFXLRESIBJL-VASHYATMSA-N 1 0 308.328 3.585 20 5 DHBDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430194301 338100635 /nfs/dbraw/zinc/10/06/35/338100635.db2.gz JANFDLOJAOSNNS-GFCCVEGCSA-N 1 0 312.435 3.567 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000432308720 338152637 /nfs/dbraw/zinc/15/26/37/338152637.db2.gz UEDADCCPDDAZIM-CYBMUJFWSA-N 1 0 323.824 3.703 20 5 DHBDRO CC(C)C[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000432333610 338153301 /nfs/dbraw/zinc/15/33/01/338153301.db2.gz CKZQDVRRFVJUPH-CYBMUJFWSA-N 1 0 316.405 3.531 20 5 DHBDRO C[C@H](Nc1ccnc2c1cccc2[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000432340178 338153578 /nfs/dbraw/zinc/15/35/78/338153578.db2.gz LQRSXWDTUKDGAM-LBPRGKRZSA-N 1 0 316.405 3.531 20 5 DHBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccc([N+](=O)[O-])cc3)cccc21 ZINC000432922570 338173296 /nfs/dbraw/zinc/17/32/96/338173296.db2.gz OFUIQFXUPVVUPI-MRXNPFEDSA-N 1 0 313.357 3.724 20 5 DHBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433076969 338180659 /nfs/dbraw/zinc/18/06/59/338180659.db2.gz PTRJZYDMYMPQKW-IXDOHACOSA-N 1 0 318.417 3.864 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCOC2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153747 338183288 /nfs/dbraw/zinc/18/32/88/338183288.db2.gz QRHVHMGXZATVEF-QGZVFWFLSA-N 1 0 318.417 3.866 20 5 DHBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433156935 338183407 /nfs/dbraw/zinc/18/34/07/338183407.db2.gz DFGLYVLDUVUXRD-MRRJBJDNSA-N 1 0 318.417 3.864 20 5 DHBDRO CC[C@@H](C)[N@H+](C)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433173668 338183967 /nfs/dbraw/zinc/18/39/67/338183967.db2.gz HHFGUQJOBHWFIP-DYVFJYSZSA-N 1 0 319.449 3.637 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000433215738 338186260 /nfs/dbraw/zinc/18/62/60/338186260.db2.gz RBXSMABSQUOCKV-VUCTXSBTSA-N 1 0 318.417 3.864 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCc2cscn2)c2cc([N+](=O)[O-])ccc21 ZINC000433281983 338189156 /nfs/dbraw/zinc/18/91/56/338189156.db2.gz LLDKGOHQMHMNMP-HNNXBMFYSA-N 1 0 317.414 3.606 20 5 DHBDRO CC(C)(CCCO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288485 338189405 /nfs/dbraw/zinc/18/94/05/338189405.db2.gz ZKHQBRGQKJAXJX-MRXNPFEDSA-N 1 0 320.433 3.706 20 5 DHBDRO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000434674179 338222938 /nfs/dbraw/zinc/22/29/38/338222938.db2.gz HSBIQCKKYDZZHI-UHFFFAOYSA-N 1 0 314.838 3.966 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000435750964 338248014 /nfs/dbraw/zinc/24/80/14/338248014.db2.gz PCFBWSVACCTBCG-CTYIDZIISA-N 1 0 318.323 3.909 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000442130885 338421698 /nfs/dbraw/zinc/42/16/98/338421698.db2.gz RSOIOQOBCWHYGH-CYBMUJFWSA-N 1 0 309.369 3.969 20 5 DHBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446829937 338537209 /nfs/dbraw/zinc/53/72/09/338537209.db2.gz MXQVMPPLFHYSHK-JSGCOSHPSA-N 1 0 314.389 3.553 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)nc2c1 ZINC000446849980 338538591 /nfs/dbraw/zinc/53/85/91/338538591.db2.gz SYFMUHLAGOPOJH-ZIAGYGMSSA-N 1 0 314.389 3.530 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000446889168 338539684 /nfs/dbraw/zinc/53/96/84/338539684.db2.gz SRTJVVOZWQAUGP-JYJNAYRXSA-N 1 0 317.433 3.745 20 5 DHBDRO CC(C)CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447585696 338559408 /nfs/dbraw/zinc/55/94/08/338559408.db2.gz KARRPNCRPWCIFL-LSDHHAIUSA-N 1 0 320.437 3.691 20 5 DHBDRO CCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000447589389 338560106 /nfs/dbraw/zinc/56/01/06/338560106.db2.gz XSZKOSPFNATCTG-LSDHHAIUSA-N 1 0 320.437 3.835 20 5 DHBDRO C[C@@H](CC(F)(F)F)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447599335 338561211 /nfs/dbraw/zinc/56/12/11/338561211.db2.gz JNUUHRSRBSAZBG-ZANVPECISA-N 1 0 302.296 3.903 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1c(F)cccc1F ZINC000449093821 338592812 /nfs/dbraw/zinc/59/28/12/338592812.db2.gz YUPJRXGEKKGARK-LBPRGKRZSA-N 1 0 320.339 3.636 20 5 DHBDRO C[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)cc(F)c1 ZINC000449202364 338602012 /nfs/dbraw/zinc/60/20/12/338602012.db2.gz FUKMNRPIEPFPMW-GFCCVEGCSA-N 1 0 320.339 3.809 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1cccnc1)C1CC1 ZINC000449212704 338602798 /nfs/dbraw/zinc/60/27/98/338602798.db2.gz VDIDIHJQPZITBH-UGSOOPFHSA-N 1 0 311.385 3.662 20 5 DHBDRO COc1cc(C)ccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449243895 338606065 /nfs/dbraw/zinc/60/60/65/338606065.db2.gz ODRJFEBSFBYAEI-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000449304755 338611168 /nfs/dbraw/zinc/61/11/68/338611168.db2.gz PWXAVYWPXCYWBK-AWEZNQCLSA-N 1 0 323.396 3.839 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(CC4)C3)s2)cc1 ZINC000449370995 338618637 /nfs/dbraw/zinc/61/86/37/338618637.db2.gz PDTBMYRYFPDQKB-UHFFFAOYSA-N 1 0 300.383 3.919 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449476049 338628643 /nfs/dbraw/zinc/62/86/43/338628643.db2.gz MFRCSPSUSLGLCN-OMVNSRBRSA-N 1 0 316.401 3.547 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc(C)cc1C ZINC000449735125 338649076 /nfs/dbraw/zinc/64/90/76/338649076.db2.gz PLBQYMGYCWRYBC-NTUHNPAUSA-N 1 0 311.385 3.800 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000451477128 338736122 /nfs/dbraw/zinc/73/61/22/338736122.db2.gz HEWATUIZSRSGED-VCTAVGKDSA-N 1 0 324.808 3.541 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453586685 338849393 /nfs/dbraw/zinc/84/93/93/338849393.db2.gz VEPSPXYILRWGNH-MBSJSRAVSA-N 1 0 318.417 3.793 20 5 DHBDRO CC[NH+](CC)Cc1cccc(CNc2ncc([N+](=O)[O-])s2)c1 ZINC000195509628 338903829 /nfs/dbraw/zinc/90/38/29/338903829.db2.gz JFKNQLHUYMWIAF-UHFFFAOYSA-N 1 0 320.418 3.505 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)c(C)n1 ZINC000459662562 339041391 /nfs/dbraw/zinc/04/13/91/339041391.db2.gz HAAJAPZPSJBJBC-UKTHLTGXSA-N 1 0 311.385 3.800 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459731948 339044976 /nfs/dbraw/zinc/04/49/76/339044976.db2.gz NXAWXVIVIDSJLQ-YLQAJVPDSA-N 1 0 314.360 3.811 20 5 DHBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459754241 339046492 /nfs/dbraw/zinc/04/64/92/339046492.db2.gz JGNSVSJYSVXIJI-UHOFOFEASA-N 1 0 304.390 3.511 20 5 DHBDRO CC[NH+]1CCC(CCNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461934619 339069078 /nfs/dbraw/zinc/06/90/78/339069078.db2.gz HQZAOMVVOQLBCP-UHFFFAOYSA-N 1 0 309.385 3.576 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000463482210 339119345 /nfs/dbraw/zinc/11/93/45/339119345.db2.gz AOGWGQSOLRMXLY-OAHLLOKOSA-N 1 0 322.380 3.897 20 5 DHBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000464499012 339143583 /nfs/dbraw/zinc/14/35/83/339143583.db2.gz LRNNUIQHHPLEFE-WHOFXGATSA-N 1 0 322.380 3.753 20 5 DHBDRO COc1cc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000464678514 339148448 /nfs/dbraw/zinc/14/84/48/339148448.db2.gz PMWBRAYMBBPFNP-LALPHHSUSA-N 1 0 322.380 3.896 20 5 DHBDRO COc1cc(C[N@@H+]2CCC3(C2)CCCCC3)c([N+](=O)[O-])cc1F ZINC000464692538 339148994 /nfs/dbraw/zinc/14/89/94/339148994.db2.gz QHWOBBIPBVBGJR-UHFFFAOYSA-N 1 0 322.380 3.899 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464772983 339152305 /nfs/dbraw/zinc/15/23/05/339152305.db2.gz KBLWHFQBFBNGSD-HZPDHXFCSA-N 1 0 308.447 3.743 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000466362546 339200766 /nfs/dbraw/zinc/20/07/66/339200766.db2.gz BPKSKAMESXOSMY-DJIMGWMZSA-N 1 0 318.417 3.588 20 5 DHBDRO C[NH+](C)Cc1cc(NCc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000466417265 339203566 /nfs/dbraw/zinc/20/35/66/339203566.db2.gz POTKLWAWHGXRJT-UHFFFAOYSA-N 1 0 319.792 3.922 20 5 DHBDRO C[NH+](C)Cc1cc(NCc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000466423294 339204164 /nfs/dbraw/zinc/20/41/64/339204164.db2.gz QHIMITZSTNIEKF-UHFFFAOYSA-N 1 0 319.792 3.922 20 5 DHBDRO C[C@@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467836859 339247259 /nfs/dbraw/zinc/24/72/59/339247259.db2.gz TUCXCLVKMDNFII-OWCLPIDISA-N 1 0 319.449 3.613 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000468554317 339266289 /nfs/dbraw/zinc/26/62/89/339266289.db2.gz MQAZALVIFHUJNH-YOEHRIQHSA-N 1 0 320.433 3.711 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1F ZINC000468641585 339267760 /nfs/dbraw/zinc/26/77/60/339267760.db2.gz DZXFNKWYNZXSSP-LCYFTJDESA-N 1 0 300.333 3.927 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccs1 ZINC000468650617 339267976 /nfs/dbraw/zinc/26/79/76/339267976.db2.gz ZZRYNZQZLQTZRD-JLHYYAGUSA-N 1 0 302.399 3.892 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000468745948 339269730 /nfs/dbraw/zinc/26/97/30/339269730.db2.gz WZKPIXLSRWJCIK-DKGMDFAASA-N 1 0 316.401 3.689 20 5 DHBDRO CCC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000468744783 339269736 /nfs/dbraw/zinc/26/97/36/339269736.db2.gz OVGUHWYZMLOCOP-RVDMUPIBSA-N 1 0 318.417 3.795 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(C)CCCS1 ZINC000468820078 339271701 /nfs/dbraw/zinc/27/17/01/339271701.db2.gz DCGDDEZMGXMROC-RCBBPTIPSA-N 1 0 306.431 3.873 20 5 DHBDRO Cc1cc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc(C)c1O ZINC000469109554 339280351 /nfs/dbraw/zinc/28/03/51/339280351.db2.gz YYXJTMTWQNDPKF-UHFFFAOYSA-N 1 0 314.385 3.558 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1ccccc1F)C1CC1 ZINC000469900227 339304236 /nfs/dbraw/zinc/30/42/36/339304236.db2.gz VAZQHMZZPGDMKV-UHFFFAOYSA-N 1 0 314.360 3.941 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCc1ccccn1 ZINC000470202921 339314241 /nfs/dbraw/zinc/31/42/41/339314241.db2.gz NFLSQUPQGNRTCU-NTCAYCPXSA-N 1 0 311.385 3.568 20 5 DHBDRO COC[C@H]1CCCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470209063 339314280 /nfs/dbraw/zinc/31/42/80/339314280.db2.gz XDWUXCRIXQEFPE-OBHPCNEJSA-N 1 0 318.417 3.747 20 5 DHBDRO Cc1c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000470956267 339332800 /nfs/dbraw/zinc/33/28/00/339332800.db2.gz BJKKQINTAZCMGG-CMPLNLGQSA-N 1 0 302.296 3.676 20 5 DHBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000471049525 339335829 /nfs/dbraw/zinc/33/58/29/339335829.db2.gz ZMAYKIHXMHJEGL-KDOFPFPSSA-N 1 0 312.369 3.667 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](OC)C1 ZINC000471780105 339353772 /nfs/dbraw/zinc/35/37/72/339353772.db2.gz LXEYXYGIEMDJER-RDBSUJKOSA-N 1 0 324.446 3.623 20 5 DHBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000472253907 339367782 /nfs/dbraw/zinc/36/77/82/339367782.db2.gz CSKKHBUJUXRKCM-HNNXBMFYSA-N 1 0 316.405 3.655 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000479585812 339542418 /nfs/dbraw/zinc/54/24/18/339542418.db2.gz BBQBSUDFGQXGOW-DOTOQJQBSA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1c(C[NH2+]C/C=C/c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000480461475 339573801 /nfs/dbraw/zinc/57/38/01/339573801.db2.gz OJKWQWIBLQMKGR-HWKANZROSA-N 1 0 318.323 3.984 20 5 DHBDRO C[C@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480626652 339580451 /nfs/dbraw/zinc/58/04/51/339580451.db2.gz QQGWJGGYXPYFBB-GJZGRUSLSA-N 1 0 313.401 3.770 20 5 DHBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481179542 339597451 /nfs/dbraw/zinc/59/74/51/339597451.db2.gz YZKCFRBKWJKBOB-RISCZKNCSA-N 1 0 310.369 3.801 20 5 DHBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000481187229 339597907 /nfs/dbraw/zinc/59/79/07/339597907.db2.gz FUCCUYZXNZWKLS-UKRRQHHQSA-N 1 0 322.405 3.541 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CCSCC1)C1CC1 ZINC000482944606 339647677 /nfs/dbraw/zinc/64/76/77/339647677.db2.gz GVYXJNKDSXXDIF-INIZCTEOSA-N 1 0 320.458 3.649 20 5 DHBDRO Cc1cccc(OCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1C ZINC000486809843 339735288 /nfs/dbraw/zinc/73/52/88/339735288.db2.gz HNOHVTGRQXBFPC-UHFFFAOYSA-N 1 0 320.414 3.832 20 5 DHBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488538751 339786818 /nfs/dbraw/zinc/78/68/18/339786818.db2.gz DAYFYAQCVGPAGV-BXUZGUMPSA-N 1 0 314.838 3.868 20 5 DHBDRO CC[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000494808363 339960903 /nfs/dbraw/zinc/96/09/03/339960903.db2.gz JYHKOFLRGRHMSI-AWEZNQCLSA-N 1 0 312.797 3.543 20 5 DHBDRO C[N@H+](CCCOc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000501804380 340089178 /nfs/dbraw/zinc/08/91/78/340089178.db2.gz KFKJVBYQYPBWSI-UHFFFAOYSA-N 1 0 318.348 3.635 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000503855574 340135298 /nfs/dbraw/zinc/13/52/98/340135298.db2.gz LLGCVWAGOXXVMT-MGPQQGTHSA-N 1 0 314.332 3.796 20 5 DHBDRO Cc1ccc(C[N@H+](C)CCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000506163574 340187278 /nfs/dbraw/zinc/18/72/78/340187278.db2.gz LBKMWIMMIIZCLA-UHFFFAOYSA-N 1 0 318.348 3.553 20 5 DHBDRO CC(C)C[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000506453552 340194892 /nfs/dbraw/zinc/19/48/92/340194892.db2.gz UILOCQOCNLVYDU-UHFFFAOYSA-N 1 0 305.403 3.806 20 5 DHBDRO C[C@H](C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000507921924 340235833 /nfs/dbraw/zinc/23/58/33/340235833.db2.gz RZFHFNATWKDISK-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000509946326 340283542 /nfs/dbraw/zinc/28/35/42/340283542.db2.gz WPUZCOTWYKRVNR-AWEZNQCLSA-N 1 0 314.813 3.789 20 5 DHBDRO C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000510682895 340306501 /nfs/dbraw/zinc/30/65/01/340306501.db2.gz FMSRPLDJOWITCQ-LBPRGKRZSA-N 1 0 320.339 3.984 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000511039099 340319055 /nfs/dbraw/zinc/31/90/55/340319055.db2.gz ZBLVYBJYJSVPAT-SJLPKXTDSA-N 1 0 320.433 3.967 20 5 DHBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000512317502 340356863 /nfs/dbraw/zinc/35/68/63/340356863.db2.gz CDDRTFYTLAQSPP-OAHLLOKOSA-N 1 0 314.360 3.723 20 5 DHBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000512859763 340381181 /nfs/dbraw/zinc/38/11/81/340381181.db2.gz DXIZRUCLVDWHME-IAQYHMDHSA-N 1 0 318.398 3.696 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000513056692 340391324 /nfs/dbraw/zinc/39/13/24/340391324.db2.gz KHGXSHLCMIQQMA-XHDPSFHLSA-N 1 0 316.357 3.752 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000520958870 340477886 /nfs/dbraw/zinc/47/78/86/340477886.db2.gz QNPHPLPTEWKQKK-UHFFFAOYSA-N 1 0 314.385 3.756 20 5 DHBDRO Cc1ccncc1[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564150841 340482173 /nfs/dbraw/zinc/48/21/73/340482173.db2.gz DBPRAPCJBCUSHP-ZDUSSCGKSA-N 1 0 324.384 3.673 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1c[nH]c2ccccc12 ZINC000237946474 340675257 /nfs/dbraw/zinc/67/52/57/340675257.db2.gz UBBAHPYDNDDSQZ-FNORWQNLSA-N 1 0 321.380 3.922 20 5 DHBDRO CO[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000524773090 340679983 /nfs/dbraw/zinc/67/99/83/340679983.db2.gz UPHYJEBXJWYDTF-QGZVFWFLSA-N 1 0 318.373 3.615 20 5 DHBDRO CCC[C@@H]([NH2+]CCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000316362632 340681606 /nfs/dbraw/zinc/68/16/06/340681606.db2.gz TUCOSLXHRKWGQF-QGZVFWFLSA-N 1 0 306.406 3.985 20 5 DHBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCCC1 ZINC000037999258 340788949 /nfs/dbraw/zinc/78/89/49/340788949.db2.gz HPYKPJJRMDSKOH-LBPRGKRZSA-N 1 0 311.813 3.782 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3c2c(F)ccc3F)c1 ZINC000537953569 340793057 /nfs/dbraw/zinc/79/30/57/340793057.db2.gz YRCXNPDRUCXAKX-INIZCTEOSA-N 1 0 318.323 3.693 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000539072047 340870455 /nfs/dbraw/zinc/87/04/55/340870455.db2.gz BBTFXCQLMZMGLN-AWEZNQCLSA-N 1 0 310.397 3.969 20 5 DHBDRO Cc1ccccc1OCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000539094146 340872982 /nfs/dbraw/zinc/87/29/82/340872982.db2.gz UGPAIOLVYMVZQN-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000539289115 340879438 /nfs/dbraw/zinc/87/94/38/340879438.db2.gz QNCMFBBYZHTJKL-UHFFFAOYSA-N 1 0 302.349 3.801 20 5 DHBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000540429081 340930935 /nfs/dbraw/zinc/93/09/35/340930935.db2.gz WALJYUVQRNHVIE-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000542574374 341014128 /nfs/dbraw/zinc/01/41/28/341014128.db2.gz OWRBUCNEQJEBLU-UHFFFAOYSA-N 1 0 306.387 3.560 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccon1 ZINC000542699565 341017888 /nfs/dbraw/zinc/01/78/88/341017888.db2.gz JLXZOCTVDYOTMM-NWDGAFQWSA-N 1 0 321.402 3.804 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000130384373 341020454 /nfs/dbraw/zinc/02/04/54/341020454.db2.gz BNSUQRPYQORUMC-BLLLJJGKSA-N 1 0 312.369 3.947 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000543416139 341043159 /nfs/dbraw/zinc/04/31/59/341043159.db2.gz JYCSOYSBIVAUIA-CVEARBPZSA-N 1 0 319.449 3.818 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000130989117 341055729 /nfs/dbraw/zinc/05/57/29/341055729.db2.gz FQQSYOPEULHBMI-DYVFJYSZSA-N 1 0 305.422 3.508 20 5 DHBDRO COc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000132263271 341119659 /nfs/dbraw/zinc/11/96/59/341119659.db2.gz GAAHCOYDWFRWHF-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO CCC(CC)[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000545918703 341146114 /nfs/dbraw/zinc/14/61/14/341146114.db2.gz MTLDFKAZXWZYFG-UHFFFAOYSA-N 1 0 310.369 3.896 20 5 DHBDRO C[N@H+](CCCOCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000546691957 341179083 /nfs/dbraw/zinc/17/90/83/341179083.db2.gz HLKOEXWLJJJGPH-UHFFFAOYSA-N 1 0 314.385 3.634 20 5 DHBDRO COCCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000546763549 341181850 /nfs/dbraw/zinc/18/18/50/341181850.db2.gz SBHJNUZZZPLGBZ-UHFFFAOYSA-N 1 0 318.373 3.760 20 5 DHBDRO CC(C)([NH2+]Cc1cnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000134395894 341214721 /nfs/dbraw/zinc/21/47/21/341214721.db2.gz CYZYXARLXZHTHO-UHFFFAOYSA-N 1 0 317.414 3.954 20 5 DHBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000080347077 341273024 /nfs/dbraw/zinc/27/30/24/341273024.db2.gz VEGMLMVBQYSDRN-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245516662 341298744 /nfs/dbraw/zinc/29/87/44/341298744.db2.gz FZQDLUUTFKHVGV-MPGHIAIKSA-N 1 0 318.417 3.591 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000550211409 341312507 /nfs/dbraw/zinc/31/25/07/341312507.db2.gz INCOZMQOVLVTEG-HNNXBMFYSA-N 1 0 314.360 3.766 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000247143065 341361377 /nfs/dbraw/zinc/36/13/77/341361377.db2.gz QYGJVKXJNPAMCC-XDNAFOTISA-N 1 0 318.417 3.983 20 5 DHBDRO Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000248393586 341376215 /nfs/dbraw/zinc/37/62/15/341376215.db2.gz XGASXZDPQYUVFC-CLLJXQQHSA-N 1 0 315.373 3.819 20 5 DHBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000162993885 341410149 /nfs/dbraw/zinc/41/01/49/341410149.db2.gz TXXASSPJDMPGFY-WZRBSPASSA-N 1 0 303.362 3.650 20 5 DHBDRO CC(C)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556078046 341493501 /nfs/dbraw/zinc/49/35/01/341493501.db2.gz KNUMXDBVYZIOMW-KGLIPLIRSA-N 1 0 308.426 3.547 20 5 DHBDRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000556203446 341497106 /nfs/dbraw/zinc/49/71/06/341497106.db2.gz ODWLPDSVDQNPAK-KLHDSHLOSA-N 1 0 320.437 3.833 20 5 DHBDRO CC[C@H]([NH2+]CC1(CC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000268929392 341605765 /nfs/dbraw/zinc/60/57/65/341605765.db2.gz LWRWBVASWCKJBN-INIZCTEOSA-N 1 0 306.406 3.842 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000269648018 341611710 /nfs/dbraw/zinc/61/17/10/341611710.db2.gz GYDMQGUSBIGJRX-QGZVFWFLSA-N 1 0 300.333 3.975 20 5 DHBDRO CCOC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000576172628 341831321 /nfs/dbraw/zinc/83/13/21/341831321.db2.gz RXZHUEJUPPZEBF-OAHLLOKOSA-N 1 0 304.390 3.521 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)C1CC1 ZINC000577220848 341898307 /nfs/dbraw/zinc/89/83/07/341898307.db2.gz YXGULNNHYPVBEF-XHSDSOJGSA-N 1 0 306.381 3.786 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@@H](F)C2)c1 ZINC000577869641 341945309 /nfs/dbraw/zinc/94/53/09/341945309.db2.gz VHSNSTBYRKANMP-MNOVXSKESA-N 1 0 318.295 3.567 20 5 DHBDRO COCC1(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000577952519 341957418 /nfs/dbraw/zinc/95/74/18/341957418.db2.gz NGEDIMUVWLEJGI-INIZCTEOSA-N 1 0 318.417 3.724 20 5 DHBDRO CCOC[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245530238 520171981 /nfs/dbraw/zinc/17/19/81/520171981.db2.gz SHLXBTAPFVQNBG-CABCVRRESA-N 1 0 306.406 3.713 20 5 DHBDRO CCc1nc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000157086518 522285810 /nfs/dbraw/zinc/28/58/10/522285810.db2.gz ZWAHALDYGSXEPM-GFCCVEGCSA-N 1 0 319.430 3.815 20 5 DHBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237138185 522514320 /nfs/dbraw/zinc/51/43/20/522514320.db2.gz HEKBOKXHEJHSNY-JTQLQIEISA-N 1 0 300.786 3.541 20 5 DHBDRO CC[C@H]([NH2+]CCCn1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000156380697 522590274 /nfs/dbraw/zinc/59/02/74/522590274.db2.gz FYRWKWSRQULIGG-KRWDZBQOSA-N 1 0 316.405 3.539 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000266847915 523539565 /nfs/dbraw/zinc/53/95/65/523539565.db2.gz IEOPLARJPNGEDF-GUYCJALGSA-N 1 0 300.358 3.633 20 5 DHBDRO C[C@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151715275 524529729 /nfs/dbraw/zinc/52/97/29/524529729.db2.gz NICXQHXKGVUDIQ-RYUDHWBXSA-N 1 0 320.414 3.602 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000136745676 524610267 /nfs/dbraw/zinc/61/02/67/524610267.db2.gz UMCOTCOFBXPGAQ-INIZCTEOSA-N 1 0 318.417 3.875 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000188055878 525688380 /nfs/dbraw/zinc/68/83/80/525688380.db2.gz AMNUFGBGFSHXBZ-BZNIZROVSA-N 1 0 316.332 3.908 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3O)cccc1[N+](=O)[O-] ZINC000130438804 525904210 /nfs/dbraw/zinc/90/42/10/525904210.db2.gz VWJRJYPSRIMLME-MLGOLLRUSA-N 1 0 312.369 3.947 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000364144439 525925525 /nfs/dbraw/zinc/92/55/25/525925525.db2.gz BYNJLZWTVVLJKX-VHSSKADRSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000364144436 525926090 /nfs/dbraw/zinc/92/60/90/525926090.db2.gz BYNJLZWTVVLJKX-KKXDTOCCSA-N 1 0 318.417 3.759 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000266748666 526106970 /nfs/dbraw/zinc/10/69/70/526106970.db2.gz PLASEFGPNBKUJJ-HOTGVXAUSA-N 1 0 317.433 3.606 20 5 DHBDRO Cc1nc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)sc1C ZINC000127745065 526828108 /nfs/dbraw/zinc/82/81/08/526828108.db2.gz CJRBVFYOSGCONM-GFCCVEGCSA-N 1 0 319.430 3.870 20 5 DHBDRO Cc1nc2c(s1)CCC[C@@H]2C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000366396377 527103599 /nfs/dbraw/zinc/10/35/99/527103599.db2.gz CCAJPCWRSXLZHC-CYBMUJFWSA-N 1 0 317.414 3.569 20 5 DHBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000285362557 535398116 /nfs/dbraw/zinc/39/81/16/535398116.db2.gz BJWXJVBPQFVAKM-UHFFFAOYSA-N 1 0 324.808 3.639 20 5 DHBDRO CC[C@H]([NH2+]CC[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000298917709 535905261 /nfs/dbraw/zinc/90/52/61/535905261.db2.gz NISHEXQAAGZCMN-ROUUACIJSA-N 1 0 314.385 3.759 20 5 DHBDRO COCC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000272587333 536818347 /nfs/dbraw/zinc/81/83/47/536818347.db2.gz RLGYVGVPHWYCPT-HIFRSBDPSA-N 1 0 318.373 3.925 20 5 DHBDRO CN1C[C@H]2C[C@@H](C1)N2C(=O)c1c2ccccc2cc2ccccc21 ZINC001270376672 1013112536 /nfs/dbraw/zinc/11/25/36/1013112536.db2.gz JAQDBTKGAUNDHD-CALCHBBNSA-N 1 0 316.404 3.522 20 5 DHBDRO Cc1ccoc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000426284903 1013187419 /nfs/dbraw/zinc/18/74/19/1013187419.db2.gz BYSYVUXHLRITSN-HOCLYGCPSA-N 1 0 314.385 3.997 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000120803153 1013281297 /nfs/dbraw/zinc/28/12/97/1013281297.db2.gz YFLNSBZCYUOTKV-WWGRRREGSA-N 1 0 318.373 3.659 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000519179871 1013285178 /nfs/dbraw/zinc/28/51/78/1013285178.db2.gz AMUBXRQBLDDPOL-BBRMVZONSA-N 1 0 316.401 3.664 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000519179873 1013286320 /nfs/dbraw/zinc/28/63/20/1013286320.db2.gz AMUBXRQBLDDPOL-CZUORRHYSA-N 1 0 316.401 3.664 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000894673193 1013449236 /nfs/dbraw/zinc/44/92/36/1013449236.db2.gz LOTVSHQHUCQUNK-UHFFFAOYSA-N 1 0 319.792 3.711 20 5 DHBDRO CSc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000894739513 1013474456 /nfs/dbraw/zinc/47/44/56/1013474456.db2.gz OMWULWOGUXWJQM-UHFFFAOYSA-N 1 0 306.387 3.584 20 5 DHBDRO C[N@@H+]1CC[C@H](Nc2nc3c(ccc4ccccc43)nc2Cl)C1 ZINC001167275582 1013492868 /nfs/dbraw/zinc/49/28/68/1013492868.db2.gz SWZXZXOFVQGTMO-LBPRGKRZSA-N 1 0 312.804 3.552 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000729481527 1013634500 /nfs/dbraw/zinc/63/45/00/1013634500.db2.gz TYCNWGLFUCHHHQ-CYBMUJFWSA-N 1 0 318.323 3.863 20 5 DHBDRO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176934699 1013684713 /nfs/dbraw/zinc/68/47/13/1013684713.db2.gz PZLICLPSTUKPAZ-ZDUSSCGKSA-N 1 0 324.384 3.604 20 5 DHBDRO C[C@H]1c2ccc(F)cc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000610003972 1013843508 /nfs/dbraw/zinc/84/35/08/1013843508.db2.gz UZCQUBGDQMGCAO-ZDUSSCGKSA-N 1 0 314.360 3.896 20 5 DHBDRO CC[NH+](CC)CCN(Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC001167594672 1017117342 /nfs/dbraw/zinc/11/73/42/1017117342.db2.gz PRILJDXKOKTPRD-UHFFFAOYSA-N 1 0 321.465 3.703 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000580802738 1014356278 /nfs/dbraw/zinc/35/62/78/1014356278.db2.gz OYXZRLTZQHDGRC-XKQJLSEDSA-N 1 0 318.417 3.854 20 5 DHBDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000025942604 1014465973 /nfs/dbraw/zinc/46/59/73/1014465973.db2.gz NOOFFUZQHJEROU-ZDUSSCGKSA-N 1 0 300.358 3.796 20 5 DHBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1C ZINC000059384424 1014581493 /nfs/dbraw/zinc/58/14/93/1014581493.db2.gz ISKDSFPNNZXBKD-UHFFFAOYSA-N 1 0 314.385 3.804 20 5 DHBDRO CCCOC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000581217869 1014619150 /nfs/dbraw/zinc/61/91/50/1014619150.db2.gz IAJBANXATYCNPE-UHFFFAOYSA-N 1 0 306.406 3.814 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000581303421 1014692701 /nfs/dbraw/zinc/69/27/01/1014692701.db2.gz YTUNMTNTHJCANG-PKYIGFARSA-N 1 0 320.392 3.926 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000521477612 1014708119 /nfs/dbraw/zinc/70/81/19/1014708119.db2.gz QMGAZWGUDADLTN-INIZCTEOSA-N 1 0 318.398 3.872 20 5 DHBDRO CC[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000165669950 1014806189 /nfs/dbraw/zinc/80/61/89/1014806189.db2.gz YTKPYBYKGNVMJL-QGZVFWFLSA-N 1 0 320.433 3.968 20 5 DHBDRO CCC(O)(CC)C(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581500456 1014938875 /nfs/dbraw/zinc/93/88/75/1014938875.db2.gz SQMBCPPJSJXVCS-ZDUSSCGKSA-N 1 0 308.422 3.823 20 5 DHBDRO Cc1csc(C(C)(C)NCc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000276319230 1014947977 /nfs/dbraw/zinc/94/79/77/1014947977.db2.gz OGZYIJKZKGIBAJ-UHFFFAOYSA-N 1 0 309.366 3.524 20 5 DHBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1 ZINC000522268277 1014992390 /nfs/dbraw/zinc/99/23/90/1014992390.db2.gz QUPNHKNEDFRNFD-UHFFFAOYSA-N 1 0 304.777 3.923 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCc2c[nH]c3ncccc23)cc1[N+](=O)[O-] ZINC000358345843 1015020374 /nfs/dbraw/zinc/02/03/74/1015020374.db2.gz PGAVCGZXQKNCQP-ZDUSSCGKSA-N 1 0 324.384 3.673 20 5 DHBDRO Cc1c(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000119406877 1015038513 /nfs/dbraw/zinc/03/85/13/1015038513.db2.gz QGFLHXKYXKUYOO-CYBMUJFWSA-N 1 0 314.385 3.672 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000610514236 1015057431 /nfs/dbraw/zinc/05/74/31/1015057431.db2.gz ZXPLIZIWVWRDDD-NSHDSACASA-N 1 0 323.443 3.967 20 5 DHBDRO C[C@@]1(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000895379728 1015113002 /nfs/dbraw/zinc/11/30/02/1015113002.db2.gz DHNAMGOVHFTJBQ-GFCCVEGCSA-N 1 0 304.724 3.773 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000076416452 1015150482 /nfs/dbraw/zinc/15/04/82/1015150482.db2.gz XIRVZHIVXIVFJR-ZDUSSCGKSA-N 1 0 322.405 3.710 20 5 DHBDRO Cc1c(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000895662928 1015248581 /nfs/dbraw/zinc/24/85/81/1015248581.db2.gz TZOISGPSRAKOIE-KRWDZBQOSA-N 1 0 314.385 3.505 20 5 DHBDRO Cc1nc2c(s1)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000090909942 1015299904 /nfs/dbraw/zinc/29/99/04/1015299904.db2.gz MVPBMMOCELLUMO-CQSZACIVSA-N 1 0 317.414 3.569 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccnc1Cl ZINC000090910004 1015300424 /nfs/dbraw/zinc/30/04/24/1015300424.db2.gz NPOFOXAJECBQBS-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO COc1cccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000051324166 1015576272 /nfs/dbraw/zinc/57/62/72/1015576272.db2.gz XZWJOLUOVUHHAR-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000896511666 1015605483 /nfs/dbraw/zinc/60/54/83/1015605483.db2.gz IXEQWHQDKCWHDE-CYBMUJFWSA-N 1 0 300.358 3.768 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000610716603 1015736743 /nfs/dbraw/zinc/73/67/43/1015736743.db2.gz FQWQRKIWLKWMSE-CZUORRHYSA-N 1 0 306.406 3.841 20 5 DHBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000610717404 1015741298 /nfs/dbraw/zinc/74/12/98/1015741298.db2.gz FTDNCJXIMZHYHF-NBEHIINDSA-N 1 0 318.417 3.793 20 5 DHBDRO COc1ccc(F)cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000581994872 1015770175 /nfs/dbraw/zinc/77/01/75/1015770175.db2.gz UOSRCIRRXAIZBD-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000119446588 1016073654 /nfs/dbraw/zinc/07/36/54/1016073654.db2.gz GVEGDLSVQJQWTB-GFCCVEGCSA-N 1 0 318.348 3.503 20 5 DHBDRO C[C@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000320290610 1016077672 /nfs/dbraw/zinc/07/76/72/1016077672.db2.gz YOUKQHJLCQKCGT-RVKKMQEKSA-N 1 0 319.449 3.756 20 5 DHBDRO CCC[C@@H]([NH2+]CCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000361883890 1032142194 /nfs/dbraw/zinc/14/21/94/1032142194.db2.gz AFRRLVABIQNQHC-MRXNPFEDSA-N 1 0 314.389 3.533 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000065532641 1016201733 /nfs/dbraw/zinc/20/17/33/1016201733.db2.gz DCKWWVUVIUSLLL-GOSISDBHSA-N 1 0 312.369 3.811 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](Cc1ccccc1)C1CC1 ZINC000071950243 1016276040 /nfs/dbraw/zinc/27/60/40/1016276040.db2.gz WJZJRJVOEPTMNE-UHFFFAOYSA-N 1 0 312.369 3.638 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178552892 1016496098 /nfs/dbraw/zinc/49/60/98/1016496098.db2.gz PLCNNOUKTZQECX-SCLBCKFNSA-N 1 0 314.385 3.889 20 5 DHBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)cc1 ZINC000342512310 1016640026 /nfs/dbraw/zinc/64/00/26/1016640026.db2.gz XZXHMQHWFJBSJM-SFHVURJKSA-N 1 0 323.396 3.579 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000089513281 1032150226 /nfs/dbraw/zinc/15/02/26/1032150226.db2.gz YIHFDZFQOGTUBK-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000361980507 1032180989 /nfs/dbraw/zinc/18/09/89/1032180989.db2.gz KTNVMQCDPLEFKN-JEBQAFNWSA-N 1 0 317.433 3.508 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cs1 ZINC000537624090 1032327886 /nfs/dbraw/zinc/32/78/86/1032327886.db2.gz SXXMZCGAXDEHKN-ZDUSSCGKSA-N 1 0 320.389 3.860 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000877612742 1033382993 /nfs/dbraw/zinc/38/29/93/1033382993.db2.gz NHXVJJWETXYZCR-UHFFFAOYSA-N 1 0 310.344 3.833 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000773052486 1032542184 /nfs/dbraw/zinc/54/21/84/1032542184.db2.gz ZMXPHUGXUOJUJB-PRXAMGSTSA-N 1 0 318.348 3.507 20 5 DHBDRO Cc1ncc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000773083550 1032550920 /nfs/dbraw/zinc/55/09/20/1032550920.db2.gz UMZHGPKIYSRFPN-NSHDSACASA-N 1 0 305.403 3.561 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1 ZINC000773118380 1032565084 /nfs/dbraw/zinc/56/50/84/1032565084.db2.gz LQSPTTFZKHMKTO-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424314222 1011976334 /nfs/dbraw/zinc/97/63/34/1011976334.db2.gz CAKSEBLNDYYAIK-XWIAVFTESA-N 1 0 314.360 3.753 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000579783745 1012120610 /nfs/dbraw/zinc/12/06/10/1012120610.db2.gz ZZBYNYWPHHWEMC-CYBMUJFWSA-N 1 0 321.421 3.720 20 5 DHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430201449 1012325289 /nfs/dbraw/zinc/32/52/89/1012325289.db2.gz JPMADDVDMWXRFV-HOCLYGCPSA-N 1 0 324.446 3.757 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000154130176 1012452244 /nfs/dbraw/zinc/45/22/44/1012452244.db2.gz FMJXNONNWSPFQI-YPMHNXCESA-N 1 0 310.419 3.540 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000515096548 1012556005 /nfs/dbraw/zinc/55/60/05/1012556005.db2.gz NSCWIVYEDKMSFP-RBFDBLARSA-N 1 0 319.449 3.708 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000515184686 1012570065 /nfs/dbraw/zinc/57/00/65/1012570065.db2.gz IJPCXCGUVFJWTL-GOEBONIOSA-N 1 0 318.417 3.713 20 5 DHBDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000178645677 1017374834 /nfs/dbraw/zinc/37/48/34/1017374834.db2.gz LBQRTJZEYBCFGI-ZDUSSCGKSA-N 1 0 315.373 3.628 20 5 DHBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444651435 1017606196 /nfs/dbraw/zinc/60/61/96/1017606196.db2.gz VFZOYRLTQVVBCV-MLGOLLRUSA-N 1 0 316.405 3.872 20 5 DHBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686853 1017614625 /nfs/dbraw/zinc/61/46/25/1017614625.db2.gz UHSZBRBWSILBPI-LRDDRELGSA-N 1 0 316.405 3.872 20 5 DHBDRO C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1cccc([N+](=O)[O-])c1 ZINC000171051356 1017843628 /nfs/dbraw/zinc/84/36/28/1017843628.db2.gz IAYGPPJKWWVFAY-CYBMUJFWSA-N 1 0 310.353 3.721 20 5 DHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000342941353 1017856775 /nfs/dbraw/zinc/85/67/75/1017856775.db2.gz WEPWTPRRSFNHJH-UHFFFAOYSA-N 1 0 304.390 3.628 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000248121019 1018184969 /nfs/dbraw/zinc/18/49/69/1018184969.db2.gz NITMPUDKPHPKAQ-UHOFOFEASA-N 1 0 304.390 3.593 20 5 DHBDRO Cc1cc(C)cc(CN(C)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000766089895 1018229995 /nfs/dbraw/zinc/22/99/95/1018229995.db2.gz DMFIGKOEYXVUTK-UHFFFAOYSA-N 1 0 324.384 3.651 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCSc1ccccc1)CC2 ZINC000446737166 1018238320 /nfs/dbraw/zinc/23/83/20/1018238320.db2.gz UBPLGZUVANJRCZ-UHFFFAOYSA-N 1 0 314.410 3.745 20 5 DHBDRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446845200 1018271664 /nfs/dbraw/zinc/27/16/64/1018271664.db2.gz YSSVXEAYHWLBHW-RYUDHWBXSA-N 1 0 304.394 3.776 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCSC(F)(F)F ZINC000218988280 1018345812 /nfs/dbraw/zinc/34/58/12/1018345812.db2.gz SHCQFMRRYSSNEN-UHFFFAOYSA-N 1 0 314.716 3.591 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1ccco1 ZINC000764766602 1018364288 /nfs/dbraw/zinc/36/42/88/1018364288.db2.gz GMVQHVWILQWCQB-ZIAGYGMSSA-N 1 0 302.374 3.730 20 5 DHBDRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000764766601 1018364591 /nfs/dbraw/zinc/36/45/91/1018364591.db2.gz GMVQHVWILQWCQB-UONOGXRCSA-N 1 0 302.374 3.730 20 5 DHBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000447389607 1018387577 /nfs/dbraw/zinc/38/75/77/1018387577.db2.gz ZPNWYZIVPIYAMI-QGZVFWFLSA-N 1 0 306.406 3.684 20 5 DHBDRO CC1CCC(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447527655 1018405696 /nfs/dbraw/zinc/40/56/96/1018405696.db2.gz GWRIFUOGXFZNPP-SSHXOBKSSA-N 1 0 320.437 3.691 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(O)cc1)CCC2 ZINC000447530525 1018406971 /nfs/dbraw/zinc/40/69/71/1018406971.db2.gz OHDDLQJCVSSQHP-SFHVURJKSA-N 1 0 312.369 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccc(O)cc1)CCC2 ZINC000447530524 1018408116 /nfs/dbraw/zinc/40/81/16/1018408116.db2.gz OHDDLQJCVSSQHP-GOSISDBHSA-N 1 0 312.369 3.510 20 5 DHBDRO CC[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cccc([N+](=O)[O-])c1 ZINC000926918376 1032761749 /nfs/dbraw/zinc/76/17/49/1032761749.db2.gz FXJAXBLGWFBMOO-BRWVUGGUSA-N 1 0 304.390 3.595 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC000447597967 1018433932 /nfs/dbraw/zinc/43/39/32/1018433932.db2.gz GKVNLAKBFRMADV-HOCLYGCPSA-N 1 0 317.433 3.571 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000447595991 1018434760 /nfs/dbraw/zinc/43/47/60/1018434760.db2.gz BFLRXYTULWFHBZ-PBHICJAKSA-N 1 0 317.433 3.571 20 5 DHBDRO Cc1nn(C[N@H+]2CC[C@@H](C)C3(CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000764956260 1018435926 /nfs/dbraw/zinc/43/59/26/1018435926.db2.gz SCRSHJZSYUQVGZ-CYBMUJFWSA-N 1 0 320.437 3.658 20 5 DHBDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000077456178 1018503886 /nfs/dbraw/zinc/50/38/86/1018503886.db2.gz GMKBTEKLUASFJW-HNNXBMFYSA-N 1 0 314.813 3.525 20 5 DHBDRO Cc1cccc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1C ZINC001168758037 1018504159 /nfs/dbraw/zinc/50/41/59/1018504159.db2.gz NFRROOOGFRTKTO-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO CCc1onc(C)c1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000922982540 1018957212 /nfs/dbraw/zinc/95/72/12/1018957212.db2.gz DYCOVRNLIJMTNY-XYOKQWHBSA-N 1 0 315.373 3.647 20 5 DHBDRO [NH3+]CC[C@H]1CN(c2cc3cc[nH]c3c([N+](=O)[O-])c2)c2ccccc21 ZINC001168549920 1019028881 /nfs/dbraw/zinc/02/88/81/1019028881.db2.gz QVJFCFFWQWMTTF-ZDUSSCGKSA-N 1 0 322.368 3.660 20 5 DHBDRO CC(C)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000278684144 1019035720 /nfs/dbraw/zinc/03/57/20/1019035720.db2.gz MFNBMKCZTMRRRC-UHFFFAOYSA-N 1 0 324.384 3.884 20 5 DHBDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000090519220 1019399408 /nfs/dbraw/zinc/39/94/08/1019399408.db2.gz HYYAKQIHBIWPHV-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO CC(C)Oc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000065668063 1019400130 /nfs/dbraw/zinc/40/01/30/1019400130.db2.gz CGCHQJNNHAELKK-UHFFFAOYSA-N 1 0 300.358 3.672 20 5 DHBDRO CCC1(O)CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000611327409 1019446637 /nfs/dbraw/zinc/44/66/37/1019446637.db2.gz BQCYRSFGHVKSSM-CBCUQQMYSA-N 1 0 306.406 3.638 20 5 DHBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000611412797 1019477064 /nfs/dbraw/zinc/47/70/64/1019477064.db2.gz KMFBKGRXXCVZIG-UHFFFAOYSA-N 1 0 309.435 3.865 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000611412448 1019477172 /nfs/dbraw/zinc/47/71/72/1019477172.db2.gz PUYGWERSSZCUAU-GFCCVEGCSA-N 1 0 309.391 3.744 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000611509694 1019506374 /nfs/dbraw/zinc/50/63/74/1019506374.db2.gz FOHRZCDVJDHIDK-KBPBESRZSA-N 1 0 323.462 3.747 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000611509747 1019507239 /nfs/dbraw/zinc/50/72/39/1019507239.db2.gz ZQWUEZZHERODBW-UONOGXRCSA-N 1 0 323.462 3.747 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000480481369 1019712606 /nfs/dbraw/zinc/71/26/06/1019712606.db2.gz ZHEDPFJNMFEJAR-XTKXOIQPSA-N 1 0 324.380 3.981 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3sccc32)c(F)c1 ZINC000314691969 1019745382 /nfs/dbraw/zinc/74/53/82/1019745382.db2.gz BLTIELJCZPQEFJ-CQSZACIVSA-N 1 0 306.362 3.963 20 5 DHBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000315020243 1019778091 /nfs/dbraw/zinc/77/80/91/1019778091.db2.gz YMSMTZKYGVAJAN-NSHDSACASA-N 1 0 317.311 3.510 20 5 DHBDRO CC[C@@H]([NH2+]CCN1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000316041261 1019895461 /nfs/dbraw/zinc/89/54/61/1019895461.db2.gz GSEGMSRJTKBUMN-QGZVFWFLSA-N 1 0 305.422 3.512 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000316841244 1019943698 /nfs/dbraw/zinc/94/36/98/1019943698.db2.gz AXSLQFBKRIMRSJ-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000316898510 1019945765 /nfs/dbraw/zinc/94/57/65/1019945765.db2.gz ZBNBRYCPECSUDZ-QRTARXTBSA-N 1 0 305.422 3.508 20 5 DHBDRO CCC[C@@H]([NH2+]CC(C)(C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000318461851 1020042506 /nfs/dbraw/zinc/04/25/06/1020042506.db2.gz IBFDTQPEISKTNL-MRXNPFEDSA-N 1 0 308.422 3.824 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000070215290 1020043464 /nfs/dbraw/zinc/04/34/64/1020043464.db2.gz IRIIVMWPOZRFMQ-UHFFFAOYSA-N 1 0 312.778 3.608 20 5 DHBDRO C[N@H+](CC[N+](=O)[O-])[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001168765353 1020065185 /nfs/dbraw/zinc/06/51/85/1020065185.db2.gz INLOPDDTBCQJNY-KBPBESRZSA-N 1 0 316.323 3.550 20 5 DHBDRO Cc1nn(C(C)C)cc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922537549 1020118566 /nfs/dbraw/zinc/11/85/66/1020118566.db2.gz IBUOMYZXWGVTLB-GFCCVEGCSA-N 1 0 302.378 3.531 20 5 DHBDRO Nc1ccc2cc3ccc(Nc4ccc(CO)nc4)cc3[nH+]c2c1 ZINC001212382284 1020187382 /nfs/dbraw/zinc/18/73/82/1020187382.db2.gz LHXUFWDQQGOGPG-UHFFFAOYSA-N 1 0 316.364 3.601 20 5 DHBDRO CC(C)[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000330668889 1020237040 /nfs/dbraw/zinc/23/70/40/1020237040.db2.gz ZLTKNTIWGCAWHQ-GJZGRUSLSA-N 1 0 305.422 3.508 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCS1 ZINC000155638553 1020254450 /nfs/dbraw/zinc/25/44/50/1020254450.db2.gz INHCNQWTGCNYDB-ZDUSSCGKSA-N 1 0 300.811 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)CCC2 ZINC000926948979 1032891374 /nfs/dbraw/zinc/89/13/74/1032891374.db2.gz NALGYTGYNUQDOI-ZLKJLUDKSA-N 1 0 314.307 3.760 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000281047500 1020322784 /nfs/dbraw/zinc/32/27/84/1020322784.db2.gz QPMUBEDPWJTLDT-NXHRZFHOSA-N 1 0 318.417 3.500 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccsc2)cc1[N+](=O)[O-] ZINC000179400141 1020338051 /nfs/dbraw/zinc/33/80/51/1020338051.db2.gz KEBPPMNNAFPSDP-NSHDSACASA-N 1 0 306.387 3.906 20 5 DHBDRO COC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000156445202 1020350870 /nfs/dbraw/zinc/35/08/70/1020350870.db2.gz ZJSZFVQMVRCHLT-UKRRQHHQSA-N 1 0 318.373 3.843 20 5 DHBDRO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(C)CC1 ZINC000733326212 1020375086 /nfs/dbraw/zinc/37/50/86/1020375086.db2.gz OVYSLQIDTWISLJ-LLVKDONJSA-N 1 0 317.414 3.997 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926950916 1032897970 /nfs/dbraw/zinc/89/79/70/1032897970.db2.gz WQVZXDWTPLXSNZ-UHTWSYAYSA-N 1 0 302.296 3.834 20 5 DHBDRO Cc1cc(NC[C@@H](O)c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302154216 1020416507 /nfs/dbraw/zinc/41/65/07/1020416507.db2.gz ILDQXJRMRZHOOL-GOSISDBHSA-N 1 0 323.352 3.597 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC000179656274 1020426024 /nfs/dbraw/zinc/42/60/24/1020426024.db2.gz KCYBDABIRWDWEI-UHFFFAOYSA-N 1 0 300.333 3.555 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000765845220 1020478982 /nfs/dbraw/zinc/47/89/82/1020478982.db2.gz NONXUMLQPSEMDK-QZTJIDSGSA-N 1 0 314.385 3.759 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000765847386 1020485199 /nfs/dbraw/zinc/48/51/99/1020485199.db2.gz BRDDINPGUHXTPA-AAJLLMFJSA-N 1 0 318.417 3.577 20 5 DHBDRO C[NH+](C)CC(C)(C)CNc1ncnc2cc3ccccc3cc21 ZINC001168766863 1020488918 /nfs/dbraw/zinc/48/89/18/1020488918.db2.gz VHKUZHQWPVPKFL-UHFFFAOYSA-N 1 0 308.429 3.783 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000765850254 1020504717 /nfs/dbraw/zinc/50/47/17/1020504717.db2.gz WAKVUYGXTFVPMT-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](F)C1 ZINC000554375116 1020544081 /nfs/dbraw/zinc/54/40/81/1020544081.db2.gz HZSPGJUAOSXBDM-UPJWGTAASA-N 1 0 312.410 3.946 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2=CCCOC2)c2ccccc2)c1 ZINC000554358967 1020545571 /nfs/dbraw/zinc/54/55/71/1020545571.db2.gz LNKGXOFRUVMRCS-IBGZPJMESA-N 1 0 324.380 3.621 20 5 DHBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)C ZINC000734509555 1020618128 /nfs/dbraw/zinc/61/81/28/1020618128.db2.gz QTZGAIMGOLLOPX-SNVBAGLBSA-N 1 0 316.348 3.968 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000766212604 1020688175 /nfs/dbraw/zinc/68/81/75/1020688175.db2.gz RZWRRIVXDVREQP-GFCCVEGCSA-N 1 0 318.348 3.503 20 5 DHBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001217988500 1020735353 /nfs/dbraw/zinc/73/53/53/1020735353.db2.gz CYZQKCLPJQYZGK-QPUJVOFHSA-N 1 0 319.188 3.669 20 5 DHBDRO CCCCCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000735791069 1020768394 /nfs/dbraw/zinc/76/83/94/1020768394.db2.gz JESNQEMMDVMPBT-UHFFFAOYSA-N 1 0 318.377 3.657 20 5 DHBDRO C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)c1Cl)C1CC[NH2+]CC1 ZINC001218004105 1020770965 /nfs/dbraw/zinc/77/09/65/1020770965.db2.gz CCVMMLZEIHNUON-MRVPVSSYSA-N 1 0 319.188 3.669 20 5 DHBDRO C[C@H]1CCCCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000738227102 1020864126 /nfs/dbraw/zinc/86/41/26/1020864126.db2.gz RGTUWVFOXZIQOD-AWEZNQCLSA-N 1 0 314.389 3.680 20 5 DHBDRO CC[N@H+](Cc1ccc(C)cc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000581002594 1020869162 /nfs/dbraw/zinc/86/91/62/1020869162.db2.gz GWSBYVDYIPSKCE-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000581380362 1020884629 /nfs/dbraw/zinc/88/46/29/1020884629.db2.gz RJOXTDGARLKCOB-PIGZYNQJSA-N 1 0 322.368 3.809 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc2c[nH]nc21)C1CC1 ZINC000154307765 1021206126 /nfs/dbraw/zinc/20/61/26/1021206126.db2.gz WWLQRDFBOAELSI-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000776277478 1021209496 /nfs/dbraw/zinc/20/94/96/1021209496.db2.gz PYLGHFCCYMCCEU-ZSGPHXLJSA-N 1 0 318.417 3.529 20 5 DHBDRO COc1c(O)ccc(C[NH2+][C@H](C)c2ccc(C)s2)c1[N+](=O)[O-] ZINC000892669225 1021255072 /nfs/dbraw/zinc/25/50/72/1021255072.db2.gz QBNDODXTKBNZDL-SNVBAGLBSA-N 1 0 322.386 3.530 20 5 DHBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743380243 1021286796 /nfs/dbraw/zinc/28/67/96/1021286796.db2.gz XLGOCNYUECXYQB-CJNGLKHVSA-N 1 0 316.405 3.803 20 5 DHBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000618304597 1021348595 /nfs/dbraw/zinc/34/85/95/1021348595.db2.gz YZBJLZSDIWYLOB-CQSZACIVSA-N 1 0 316.405 3.920 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCC(C3CCC3)CC2)cc1 ZINC000850126787 1021422841 /nfs/dbraw/zinc/42/28/41/1021422841.db2.gz PYOKARAGZXWMJL-PVARCSIZSA-N 1 0 318.417 3.577 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000618577709 1021429145 /nfs/dbraw/zinc/42/91/45/1021429145.db2.gz BOWCVOUKTOULAC-RHSMWYFYSA-N 1 0 317.433 3.571 20 5 DHBDRO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000007661730 1021480498 /nfs/dbraw/zinc/48/04/98/1021480498.db2.gz LCSRIWFIPBMUMR-UHFFFAOYSA-N 1 0 312.369 3.768 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000850350140 1021481294 /nfs/dbraw/zinc/48/12/94/1021481294.db2.gz OMASHQFDDXMWPT-CQSZACIVSA-N 1 0 312.797 3.543 20 5 DHBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000618679585 1021484629 /nfs/dbraw/zinc/48/46/29/1021484629.db2.gz VOFOSCJTMOMLFG-SWLSCSKDSA-N 1 0 303.387 3.514 20 5 DHBDRO Cc1ccc(CNc2ccc(C[NH+](C)C)cc2F)cc1[N+](=O)[O-] ZINC000414482950 1021495559 /nfs/dbraw/zinc/49/55/59/1021495559.db2.gz FBBQMQKCURDRNC-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850376321 1021497245 /nfs/dbraw/zinc/49/72/45/1021497245.db2.gz XLQHTVYCHMRRCG-OBIQQPLYSA-N 1 0 324.380 3.766 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)C1CCC(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850553753 1021600582 /nfs/dbraw/zinc/60/05/82/1021600582.db2.gz CEZJOZXEWGPBLD-PZFKGIAWSA-N 1 0 309.385 3.744 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1SCCS1)CCCC2 ZINC000850559910 1021605078 /nfs/dbraw/zinc/60/50/78/1021605078.db2.gz GUVHMYYRPCYQLG-AWEZNQCLSA-N 1 0 324.471 3.758 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000556238333 1021623824 /nfs/dbraw/zinc/62/38/24/1021623824.db2.gz IUBAHVZIDAZDGO-FUHWJXTLSA-N 1 0 320.433 3.824 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000290297499 1021716476 /nfs/dbraw/zinc/71/64/76/1021716476.db2.gz NIDZEBOEZLAYCF-KGLIPLIRSA-N 1 0 312.369 3.730 20 5 DHBDRO Cc1ncsc1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000556444104 1021718019 /nfs/dbraw/zinc/71/80/19/1021718019.db2.gz WBXOMQVRRGJVQP-NSHDSACASA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccccc1O ZINC000154959673 1021775749 /nfs/dbraw/zinc/77/57/49/1021775749.db2.gz DZBVYWBXGUTMGU-CYBMUJFWSA-N 1 0 300.358 3.502 20 5 DHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000919721976 1021869327 /nfs/dbraw/zinc/86/93/27/1021869327.db2.gz ILGQYEGLICSOQI-GUTXKFCHSA-N 1 0 321.396 3.576 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000365705312 1021884955 /nfs/dbraw/zinc/88/49/55/1021884955.db2.gz PMIGIWMMBSICOL-YOEHRIQHSA-N 1 0 304.390 3.691 20 5 DHBDRO C[N@H+](CCCc1cccc(F)c1)CCc1cccc([N+](=O)[O-])c1 ZINC000619785210 1021892786 /nfs/dbraw/zinc/89/27/86/1021892786.db2.gz IHGMFHIHHFNYJC-UHFFFAOYSA-N 1 0 316.376 3.841 20 5 DHBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000130689228 1021935229 /nfs/dbraw/zinc/93/52/29/1021935229.db2.gz WSCJJCXNMFEWSL-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](Cc1cccnc1)C1CC1 ZINC000290383983 1021955193 /nfs/dbraw/zinc/95/51/93/1021955193.db2.gz IHFFDSYQIAAMEJ-QPJJXVBHSA-N 1 0 309.369 3.668 20 5 DHBDRO CCCCC[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587922 1022101982 /nfs/dbraw/zinc/10/19/82/1022101982.db2.gz ZMYPCGMBHYZMJH-RDJZCZTQSA-N 1 0 306.406 3.673 20 5 DHBDRO C[C@]12C[C@@H]3C[C@]([NH2+][C@@H]4CC[C@@H](C[N+](=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC001168984819 1022199757 /nfs/dbraw/zinc/19/97/57/1022199757.db2.gz AMCKPEBKVULKOW-PDCGBLAGSA-N 1 0 306.450 3.770 20 5 DHBDRO CCCC[C@H](CC)COCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970887 1022205611 /nfs/dbraw/zinc/20/56/11/1022205611.db2.gz JDMFLXNGHBRANF-BBWFWOEESA-N 1 0 314.470 3.645 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001168970704 1022206430 /nfs/dbraw/zinc/20/64/30/1022206430.db2.gz IODOGEISJJHXGC-MISXGVKJSA-N 1 0 316.323 3.801 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CC2CC2)c2ccc(F)cc2)C1 ZINC001168997567 1022210097 /nfs/dbraw/zinc/21/00/97/1022210097.db2.gz DLZHWHUKDLZKSI-XOKHGSTOSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C(c2cccs2)c2cccs2)C1 ZINC001169008034 1022212207 /nfs/dbraw/zinc/21/22/07/1022212207.db2.gz QWNPKMXPDNZEAI-VXGBXAGGSA-N 1 0 322.455 3.934 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(CCc3ccccc3)CC2)C1 ZINC001169030421 1022219640 /nfs/dbraw/zinc/21/96/40/1022219640.db2.gz ZUGUKMRQZIDFRO-RBUKOAKNSA-N 1 0 316.445 3.777 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3ccccc3F)CC2)C1 ZINC001169034990 1022221578 /nfs/dbraw/zinc/22/15/78/1022221578.db2.gz JNQJEDVFKJZGMX-NVXWUHKLSA-N 1 0 320.408 3.526 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001169038486 1022222852 /nfs/dbraw/zinc/22/28/52/1022222852.db2.gz ZDQDLMOLRKYMBW-FFSVYQOJSA-N 1 0 310.344 3.547 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC001169041158 1022223948 /nfs/dbraw/zinc/22/39/48/1022223948.db2.gz BCDHREXMOVGFAQ-WQVCFCJDSA-N 1 0 308.809 3.922 20 5 DHBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC001169065008 1022239846 /nfs/dbraw/zinc/23/98/46/1022239846.db2.gz GCXMCOCBGGFACL-SNVBAGLBSA-N 1 0 310.806 3.996 20 5 DHBDRO C[C@@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 ZINC000609358069 1022272432 /nfs/dbraw/zinc/27/24/32/1022272432.db2.gz CXTKXCDZYDZRLP-LJQANCHMSA-N 1 0 310.397 3.979 20 5 DHBDRO Cc1cccc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169146001 1022278061 /nfs/dbraw/zinc/27/80/61/1022278061.db2.gz QKQYOWIENHHOJV-SUMWQHHRSA-N 1 0 305.422 3.859 20 5 DHBDRO C[C@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c2ccccc21 ZINC001169381818 1022381853 /nfs/dbraw/zinc/38/18/53/1022381853.db2.gz TXRBYKZHCVRUJU-MEDUHNTESA-N 1 0 309.369 3.858 20 5 DHBDRO CC[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000610009160 1022402577 /nfs/dbraw/zinc/40/25/77/1022402577.db2.gz XZLMJSOBZKWJFK-OAHLLOKOSA-N 1 0 317.364 3.887 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000481169729 1022427957 /nfs/dbraw/zinc/42/79/57/1022427957.db2.gz FKCLYFVFWIARNR-BMFZPTHFSA-N 1 0 319.449 3.674 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC001169567005 1022453988 /nfs/dbraw/zinc/45/39/88/1022453988.db2.gz LOMMJCXKRRXELL-IUODEOHRSA-N 1 0 306.406 3.908 20 5 DHBDRO C[NH+](C)CCC(C)(C)Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001169718381 1022517886 /nfs/dbraw/zinc/51/78/86/1022517886.db2.gz SUKWPZJJUICATI-UHFFFAOYSA-N 1 0 319.327 3.756 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C(C)C)no1 ZINC000615724091 1022545867 /nfs/dbraw/zinc/54/58/67/1022545867.db2.gz LRJRQIZNQJVKPW-QPEQYQDCSA-N 1 0 315.373 3.899 20 5 DHBDRO CCC1(O)CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615727230 1022546471 /nfs/dbraw/zinc/54/64/71/1022546471.db2.gz BNQLSALMYLJOFR-SDNWHVSQSA-N 1 0 318.417 3.671 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)c1ccncc1 ZINC000615723945 1022547673 /nfs/dbraw/zinc/54/76/73/1022547673.db2.gz CZOZXZVPWKJPCT-YVGNARHYSA-N 1 0 311.385 3.786 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000616016680 1022622609 /nfs/dbraw/zinc/62/26/09/1022622609.db2.gz KEDHSVMBLBLJQA-OLZOCXBDSA-N 1 0 322.405 3.532 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccccn1)CCCC2 ZINC000417293734 1022671302 /nfs/dbraw/zinc/67/13/02/1022671302.db2.gz AJHFFYQVMBHNNQ-GOSISDBHSA-N 1 0 311.385 3.590 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(O)c1)CCCC2 ZINC000417306846 1022676618 /nfs/dbraw/zinc/67/66/18/1022676618.db2.gz AYHLPXBEWGQPPN-SFHVURJKSA-N 1 0 312.369 3.858 20 5 DHBDRO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311529 1022678908 /nfs/dbraw/zinc/67/89/08/1022678908.db2.gz OYMFLWKNFNWAKH-GUYCJALGSA-N 1 0 320.433 3.749 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCO1)CCCC2 ZINC000417340488 1022686205 /nfs/dbraw/zinc/68/62/05/1022686205.db2.gz MLOYJIZWGONDKR-DOTOQJQBSA-N 1 0 304.390 3.521 20 5 DHBDRO CCOc1cc(C[NH+]2C3CCCC2CCC3)ccc1[N+](=O)[O-] ZINC000617201578 1022888553 /nfs/dbraw/zinc/88/85/53/1022888553.db2.gz BKUBUUIILNPQQA-UHFFFAOYSA-N 1 0 304.390 3.901 20 5 DHBDRO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccn1 ZINC000769034451 1023073005 /nfs/dbraw/zinc/07/30/05/1023073005.db2.gz QEEBJMRXELRZEL-VQHVLOKHSA-N 1 0 311.385 3.568 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000387404694 1023104936 /nfs/dbraw/zinc/10/49/36/1023104936.db2.gz KEBLCLBZSQUAEZ-KGLIPLIRSA-N 1 0 306.406 3.909 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000876746506 1033135340 /nfs/dbraw/zinc/13/53/40/1033135340.db2.gz ZYCVTRIKFSMEIT-UHFFFAOYSA-N 1 0 318.417 3.604 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCSC(F)(F)F)cc1[N+](=O)[O-] ZINC000178418264 1023594819 /nfs/dbraw/zinc/59/48/19/1023594819.db2.gz NDWUMOQDGPTYAY-VIFPVBQESA-N 1 0 308.325 3.807 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+](CC1CC1)CC1CC1 ZINC000538726757 1033149863 /nfs/dbraw/zinc/14/98/63/1033149863.db2.gz UNZVWVWUPNWXLQ-UHFFFAOYSA-N 1 0 304.390 3.616 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCSC(F)(F)F ZINC000786809878 1023731201 /nfs/dbraw/zinc/73/12/01/1023731201.db2.gz AFTNYFNMLUFZHB-JXMROGBWSA-N 1 0 320.336 3.841 20 5 DHBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000788464771 1023889024 /nfs/dbraw/zinc/88/90/24/1023889024.db2.gz NXNGOJNRTMXOBA-QGTPRVQTSA-N 1 0 320.433 3.823 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1C ZINC000788482204 1023891238 /nfs/dbraw/zinc/89/12/38/1023891238.db2.gz KADIFCYUXZIPGZ-UHFFFAOYSA-N 1 0 318.348 3.683 20 5 DHBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497163 1023894785 /nfs/dbraw/zinc/89/47/85/1023894785.db2.gz FMGTTYSZJUUSSR-GFCCVEGCSA-N 1 0 324.384 3.552 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500220 1023895173 /nfs/dbraw/zinc/89/51/73/1023895173.db2.gz ZKPINNJGXVEWBZ-LLVKDONJSA-N 1 0 319.792 3.724 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCC=CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788599780 1023911463 /nfs/dbraw/zinc/91/14/63/1023911463.db2.gz APFLFAVCFPMNLY-CZUORRHYSA-N 1 0 302.374 3.600 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000249047944 1023917946 /nfs/dbraw/zinc/91/79/46/1023917946.db2.gz WSKLLOWXUWFWNC-DMVWFOPNSA-N 1 0 304.390 3.518 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788760393 1023929843 /nfs/dbraw/zinc/92/98/43/1023929843.db2.gz ANFPCJVXASTSJA-VIFPVBQESA-N 1 0 323.755 3.820 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2cccc(C)c2)c([N+](=O)[O-])cc1F ZINC000452088394 1023971011 /nfs/dbraw/zinc/97/10/11/1023971011.db2.gz OUWLCEULPXBAIA-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CCC[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH3+])(CC)CC1 ZINC000925758968 1024004075 /nfs/dbraw/zinc/00/40/75/1024004075.db2.gz JAFCOMCQMWJPFH-INIZCTEOSA-N 1 0 305.422 3.639 20 5 DHBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876920650 1033183795 /nfs/dbraw/zinc/18/37/95/1033183795.db2.gz YWZXRPKVQUENTI-BGHVQYPCSA-N 1 0 320.437 3.689 20 5 DHBDRO Cc1ccc([C@@H](C)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000269060745 1024231157 /nfs/dbraw/zinc/23/11/57/1024231157.db2.gz XUAMHATXYOKKER-CQSZACIVSA-N 1 0 317.433 3.571 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccns1 ZINC000883247050 1024314785 /nfs/dbraw/zinc/31/47/85/1024314785.db2.gz YDWBVMZVADSVGH-SNVBAGLBSA-N 1 0 323.443 3.667 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)c2ccnc(Cl)c2)cccc1[N+](=O)[O-] ZINC000790695319 1024357688 /nfs/dbraw/zinc/35/76/88/1024357688.db2.gz NHPBMPOXRWVGFE-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000105503840 1024395910 /nfs/dbraw/zinc/39/59/10/1024395910.db2.gz YBYXZDFOIAICIL-ZDUSSCGKSA-N 1 0 305.403 3.909 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883351848 1024398075 /nfs/dbraw/zinc/39/80/75/1024398075.db2.gz NCQUFVJBPABOAW-PVAVHDDUSA-N 1 0 320.433 3.711 20 5 DHBDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000453320991 1024463635 /nfs/dbraw/zinc/46/36/35/1024463635.db2.gz QGYAXGNRNCOJSV-ZQIUZPCESA-N 1 0 306.406 3.697 20 5 DHBDRO CCn1ccnc1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453359683 1024480145 /nfs/dbraw/zinc/48/01/45/1024480145.db2.gz QEYKLAWEDQELLA-STQMWFEESA-N 1 0 302.378 3.531 20 5 DHBDRO Cc1cc(C)c(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000453372051 1024493498 /nfs/dbraw/zinc/49/34/98/1024493498.db2.gz RYUKKXDTLVMJBS-GOSISDBHSA-N 1 0 311.385 3.774 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2OCC)cc1[N+](=O)[O-] ZINC000453406227 1024503200 /nfs/dbraw/zinc/50/32/00/1024503200.db2.gz PGBWYVMJIINWKG-XNRPHZJLSA-N 1 0 322.405 3.602 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000453406198 1024503386 /nfs/dbraw/zinc/50/33/86/1024503386.db2.gz KRTKSGSHXGXBMZ-BFHYXJOUSA-N 1 0 324.446 3.623 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC000181986975 1024527307 /nfs/dbraw/zinc/52/73/07/1024527307.db2.gz ANKDDKSMYBRGNH-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000271568236 1024540338 /nfs/dbraw/zinc/54/03/38/1024540338.db2.gz WTEDTKPQYZVVDM-MEBBXXQBSA-N 1 0 324.377 3.661 20 5 DHBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000271569220 1024542474 /nfs/dbraw/zinc/54/24/74/1024542474.db2.gz PKCQJNHSAGAGPQ-KYJSFNMBSA-N 1 0 320.433 3.709 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453586684 1024542527 /nfs/dbraw/zinc/54/25/27/1024542527.db2.gz VEPSPXYILRWGNH-IHWMJMDHSA-N 1 0 318.417 3.793 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CC(F)(F)C2)c(Cl)c1 ZINC000453581672 1024543674 /nfs/dbraw/zinc/54/36/74/1024543674.db2.gz ANJRLUVCIYDTAJ-UHFFFAOYSA-N 1 0 304.724 3.773 20 5 DHBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)O1 ZINC000453628420 1024561833 /nfs/dbraw/zinc/56/18/33/1024561833.db2.gz JIOGYNPGWKRWFA-OLZOCXBDSA-N 1 0 316.357 3.512 20 5 DHBDRO COc1cccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000271685252 1024562012 /nfs/dbraw/zinc/56/20/12/1024562012.db2.gz HKAUPQSPUBPLJQ-UHFFFAOYSA-N 1 0 312.369 3.691 20 5 DHBDRO CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001202602604 1024594055 /nfs/dbraw/zinc/59/40/55/1024594055.db2.gz HWXCATCWFYURME-CABCVRRESA-N 1 0 306.406 3.909 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000585765531 1024603026 /nfs/dbraw/zinc/60/30/26/1024603026.db2.gz KRRSEBSVJOHBMF-ZDUSSCGKSA-N 1 0 324.384 3.673 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC2(CCOCC2)CC1 ZINC000585767972 1024604756 /nfs/dbraw/zinc/60/47/56/1024604756.db2.gz NBKZAUVBPCTOJY-HYXAFXHYSA-N 1 0 316.401 3.501 20 5 DHBDRO COC1(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000792157348 1024636653 /nfs/dbraw/zinc/63/66/53/1024636653.db2.gz UVGCVCUEGCWRGZ-UHFFFAOYSA-N 1 0 312.797 3.639 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170300415 1024729395 /nfs/dbraw/zinc/72/93/95/1024729395.db2.gz ZWMULGRYHYFCGU-KCQAQPDRSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]CCC2CCCC2)c([N+](=O)[O-])c1 ZINC001170297695 1024729687 /nfs/dbraw/zinc/72/96/87/1024729687.db2.gz QSSKKDUTOLIWAA-ZDUSSCGKSA-N 1 0 306.406 3.704 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC001170304698 1024732255 /nfs/dbraw/zinc/73/22/55/1024732255.db2.gz FXLBEZZGMYSKHB-QWHCGFSZSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170317759 1024741692 /nfs/dbraw/zinc/74/16/92/1024741692.db2.gz LDLILXCTCVUXHI-TZMCWYRMSA-N 1 0 306.406 3.703 20 5 DHBDRO CCCC1([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC001170323758 1024744669 /nfs/dbraw/zinc/74/46/69/1024744669.db2.gz MBYQWIITAVHEJV-ZDUSSCGKSA-N 1 0 306.406 3.847 20 5 DHBDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000111310755 1024752332 /nfs/dbraw/zinc/75/23/32/1024752332.db2.gz GZNWEQZSGXLGFD-OAHLLOKOSA-N 1 0 317.414 3.869 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC001170348014 1024756375 /nfs/dbraw/zinc/75/63/75/1024756375.db2.gz URYCOZBPIMDGBO-GRDNDAEWSA-N 1 0 318.417 3.799 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC001170345737 1024757942 /nfs/dbraw/zinc/75/79/42/1024757942.db2.gz LIUYOTNIDBNINF-HZSPNIEDSA-N 1 0 306.406 3.655 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000350046022 1024784875 /nfs/dbraw/zinc/78/48/75/1024784875.db2.gz BUQIZUUUUVBPQV-MRXNPFEDSA-N 1 0 316.405 3.514 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000279196619 1024785754 /nfs/dbraw/zinc/78/57/54/1024785754.db2.gz XAIZXZQNAIDVDA-YVEFUNNKSA-N 1 0 318.417 3.722 20 5 DHBDRO CC(C)CC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000877109865 1033240531 /nfs/dbraw/zinc/24/05/31/1033240531.db2.gz SLOPEAWGVWUVMC-UHFFFAOYSA-N 1 0 320.437 3.691 20 5 DHBDRO CC1(C)CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728900696 1024877853 /nfs/dbraw/zinc/87/78/53/1024877853.db2.gz QCCZGDKLFBNZLC-UHFFFAOYSA-N 1 0 314.389 3.538 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353091266 1024942505 /nfs/dbraw/zinc/94/25/05/1024942505.db2.gz WFBLQVLQJXONSL-ZZXKWVIFSA-N 1 0 314.307 3.930 20 5 DHBDRO CC(C)c1ccc(CN[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000353089132 1024942622 /nfs/dbraw/zinc/94/26/22/1024942622.db2.gz DOKUFPJLCQGJDA-AWEZNQCLSA-N 1 0 307.438 3.537 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1nccs1 ZINC000353215434 1024986981 /nfs/dbraw/zinc/98/69/81/1024986981.db2.gz DQPVGYAMQJVCLE-RAXLEYEMSA-N 1 0 317.414 3.677 20 5 DHBDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3)c21 ZINC000237742424 1024989835 /nfs/dbraw/zinc/98/98/35/1024989835.db2.gz ZHJAOYHOOWWGQO-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO Cc1cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c(C)s1 ZINC000353586583 1025141503 /nfs/dbraw/zinc/14/15/03/1025141503.db2.gz DTFMVYCSOKQHGN-UHFFFAOYSA-N 1 0 302.399 3.831 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC001203162021 1025146350 /nfs/dbraw/zinc/14/63/50/1025146350.db2.gz VTQRLQRYAJGAHS-UKRRQHHQSA-N 1 0 306.406 3.765 20 5 DHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000170906566 1025209621 /nfs/dbraw/zinc/20/96/21/1025209621.db2.gz QUTDUTOIJYOSCB-UHFFFAOYSA-N 1 0 315.373 3.667 20 5 DHBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000897441766 1025338719 /nfs/dbraw/zinc/33/87/19/1025338719.db2.gz INIJZSPBMRZEJK-INIZCTEOSA-N 1 0 318.417 3.625 20 5 DHBDRO C[C@H](C[NH2+]C1CC2(C1)COC(C)(C)C2)c1ccccc1[N+](=O)[O-] ZINC000897458715 1025351620 /nfs/dbraw/zinc/35/16/20/1025351620.db2.gz CSLXIGSVMUMIAM-WRSVWVKZSA-N 1 0 318.417 3.636 20 5 DHBDRO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897461311 1025361957 /nfs/dbraw/zinc/36/19/57/1025361957.db2.gz ZULOYGOLOCUUNK-QLFBSQMISA-N 1 0 306.406 3.636 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897459880 1025362346 /nfs/dbraw/zinc/36/23/46/1025362346.db2.gz PCWPCXPRCXXUGO-HUUCEWRRSA-N 1 0 318.417 3.780 20 5 DHBDRO CCOC1CCC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897461561 1025363898 /nfs/dbraw/zinc/36/38/98/1025363898.db2.gz RTFSATJTXBLGFD-NFOMZHRRSA-N 1 0 306.406 3.636 20 5 DHBDRO C[C@@H](C[NH2+][C@@H]1CCCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000897463071 1025365760 /nfs/dbraw/zinc/36/57/60/1025365760.db2.gz ASAWZTHMMISHAH-XJKSGUPXSA-N 1 0 311.385 3.761 20 5 DHBDRO C[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000897464044 1025366478 /nfs/dbraw/zinc/36/64/78/1025366478.db2.gz JUNRHNQEJHQAFC-WMLDXEAASA-N 1 0 318.417 3.637 20 5 DHBDRO C[C@@H](C[NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000897466189 1025368872 /nfs/dbraw/zinc/36/88/72/1025368872.db2.gz POYRHYYDDKANDA-AWEZNQCLSA-N 1 0 319.449 3.551 20 5 DHBDRO CC(C)c1ccc(C[N@H+](CC2CCC2)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000348355979 1025389545 /nfs/dbraw/zinc/38/95/45/1025389545.db2.gz NHCTUGLUTPHUCO-AWEZNQCLSA-N 1 0 320.433 3.701 20 5 DHBDRO CCc1ncc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897469080 1025395159 /nfs/dbraw/zinc/39/51/59/1025395159.db2.gz CTQQWOQAOFWEJN-LLVKDONJSA-N 1 0 305.403 3.507 20 5 DHBDRO CO[C@H](C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)C ZINC000354474037 1025441194 /nfs/dbraw/zinc/44/11/94/1025441194.db2.gz ZPZLVMOFNQYUGH-CQSZACIVSA-N 1 0 324.421 3.627 20 5 DHBDRO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000886020648 1025443941 /nfs/dbraw/zinc/44/39/41/1025443941.db2.gz FIIZWAPMVLHYGW-YOEHRIQHSA-N 1 0 311.385 3.615 20 5 DHBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000747211281 1025466923 /nfs/dbraw/zinc/46/69/23/1025466923.db2.gz DCGCSNDHLRWRGM-NWDGAFQWSA-N 1 0 309.797 3.595 20 5 DHBDRO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136809449 1025487780 /nfs/dbraw/zinc/48/77/80/1025487780.db2.gz CKDHVVRWQKBAMB-GOSISDBHSA-N 1 0 314.385 3.540 20 5 DHBDRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137072170 1025496571 /nfs/dbraw/zinc/49/65/71/1025496571.db2.gz ZMTLXCWCJZKRIS-RDJZCZTQSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC000886111673 1025511451 /nfs/dbraw/zinc/51/14/51/1025511451.db2.gz GMWWRFLBOXIEFG-YLQAJVPDSA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000886114503 1025513633 /nfs/dbraw/zinc/51/36/33/1025513633.db2.gz QOPHNTYNKTYORG-KBPBESRZSA-N 1 0 304.390 3.595 20 5 DHBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000886147384 1025531562 /nfs/dbraw/zinc/53/15/62/1025531562.db2.gz RIICUQCLRQTDNW-GFCCVEGCSA-N 1 0 305.403 3.504 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886220955 1025562513 /nfs/dbraw/zinc/56/25/13/1025562513.db2.gz QDGDZBHOHJXZOV-BBRMVZONSA-N 1 0 304.390 3.595 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000886247574 1025570751 /nfs/dbraw/zinc/57/07/51/1025570751.db2.gz VFERHJQNJJICRG-QGZVFWFLSA-N 1 0 323.396 3.760 20 5 DHBDRO C[C@@H]([N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1(C)CC1 ZINC000355086914 1025601085 /nfs/dbraw/zinc/60/10/85/1025601085.db2.gz LYHLSFSZPMDZLS-SNVBAGLBSA-N 1 0 314.332 3.817 20 5 DHBDRO CCOC1CC(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000893957671 1025623678 /nfs/dbraw/zinc/62/36/78/1025623678.db2.gz QQCDRAITAJXXOZ-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000355484819 1025741181 /nfs/dbraw/zinc/74/11/81/1025741181.db2.gz KNBARZUAOYQCOP-QGZVFWFLSA-N 1 0 300.333 3.901 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000355580166 1025772965 /nfs/dbraw/zinc/77/29/65/1025772965.db2.gz HQLPJHVCVHYOLY-ZDUSSCGKSA-N 1 0 322.405 3.623 20 5 DHBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000355575262 1025773016 /nfs/dbraw/zinc/77/30/16/1025773016.db2.gz OXTCODZVALQSMJ-UHFFFAOYSA-N 1 0 324.384 3.882 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000355580165 1025773665 /nfs/dbraw/zinc/77/36/65/1025773665.db2.gz HQLPJHVCVHYOLY-CYBMUJFWSA-N 1 0 322.405 3.623 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886728919 1025842005 /nfs/dbraw/zinc/84/20/05/1025842005.db2.gz QDGDZBHOHJXZOV-CZUORRHYSA-N 1 0 304.390 3.595 20 5 DHBDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000453321407 1025932917 /nfs/dbraw/zinc/93/29/17/1025932917.db2.gz QUAXBXWRWDGIHK-VBQJREDUSA-N 1 0 306.406 3.697 20 5 DHBDRO CSC1(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC1 ZINC000356059758 1025933005 /nfs/dbraw/zinc/93/30/05/1025933005.db2.gz QYLPSGXDGIEYHO-UHFFFAOYSA-N 1 0 306.431 3.845 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCC=CCC3)CC2)cc1 ZINC000886813386 1025936851 /nfs/dbraw/zinc/93/68/51/1025936851.db2.gz KUYBEDFZILMIHU-UHFFFAOYSA-N 1 0 315.417 3.652 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000453352217 1025970761 /nfs/dbraw/zinc/97/07/61/1025970761.db2.gz INXUUFMFFFKYGS-YOEHRIQHSA-N 1 0 320.458 3.745 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614253543 1025999981 /nfs/dbraw/zinc/99/99/81/1025999981.db2.gz IPZPGZLSDGNJCR-FNORWQNLSA-N 1 0 316.401 3.501 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289652347 1026112812 /nfs/dbraw/zinc/11/28/12/1026112812.db2.gz TWFCIOPFHZVQDF-COXVUDFISA-N 1 0 316.401 3.689 20 5 DHBDRO C[C@@H]1c2ccsc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000052070780 1026199097 /nfs/dbraw/zinc/19/90/97/1026199097.db2.gz MXLVXTOKUOYIHE-GFCCVEGCSA-N 1 0 302.399 3.818 20 5 DHBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419367602 1026273094 /nfs/dbraw/zinc/27/30/94/1026273094.db2.gz DHIBKNAFUPOZDT-FRRDWIJNSA-N 1 0 315.373 3.726 20 5 DHBDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000151136091 1026351285 /nfs/dbraw/zinc/35/12/85/1026351285.db2.gz TWEXJAMQKHPKBS-HNNXBMFYSA-N 1 0 320.389 3.520 20 5 DHBDRO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000513510021 1026527857 /nfs/dbraw/zinc/52/78/57/1026527857.db2.gz XRBOAEVSSLTYNM-KMDWOBIYSA-N 1 0 318.417 3.889 20 5 DHBDRO CC[C@]1([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC000809986605 1026656381 /nfs/dbraw/zinc/65/63/81/1026656381.db2.gz KMCABXPWHMLNBP-ZDUSSCGKSA-N 1 0 319.188 3.560 20 5 DHBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017403 1026664685 /nfs/dbraw/zinc/66/46/85/1026664685.db2.gz XAVVRTNYIUJUMK-CPCISQLKSA-N 1 0 321.229 3.743 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)cs1 ZINC000280549828 1026666988 /nfs/dbraw/zinc/66/69/88/1026666988.db2.gz DRJNBCPQMVIHPS-MQMHXKEQSA-N 1 0 306.362 3.831 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420953594 1026892033 /nfs/dbraw/zinc/89/20/33/1026892033.db2.gz TUHYWLCMWXERSN-CYBMUJFWSA-N 1 0 316.323 3.802 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1F ZINC000237195257 1026951625 /nfs/dbraw/zinc/95/16/25/1026951625.db2.gz HVQSQRVQPUMHPK-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421346137 1026957982 /nfs/dbraw/zinc/95/79/82/1026957982.db2.gz CEKFELUWBQIPPQ-SJDLMVEWSA-N 1 0 318.442 3.731 20 5 DHBDRO CSc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000571845468 1027151834 /nfs/dbraw/zinc/15/18/34/1027151834.db2.gz RLALWQPQAKBIGM-UHFFFAOYSA-N 1 0 308.428 3.711 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000571997564 1027165189 /nfs/dbraw/zinc/16/51/89/1027165189.db2.gz UCEPVIXBMAEPDA-DOMZBBRYSA-N 1 0 324.808 3.639 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362384839 1027176657 /nfs/dbraw/zinc/17/66/57/1027176657.db2.gz MLUJRNNCQLBQDM-KGLIPLIRSA-N 1 0 324.446 3.580 20 5 DHBDRO CCCCOC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000362456075 1027219996 /nfs/dbraw/zinc/21/99/96/1027219996.db2.gz UPUXMJWENKOFKJ-CQSZACIVSA-N 1 0 306.406 3.937 20 5 DHBDRO CC(C)([NH2+]CC1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000573970666 1027350214 /nfs/dbraw/zinc/35/02/14/1027350214.db2.gz LLYPBXYKUYNLPP-UHFFFAOYSA-N 1 0 310.397 3.835 20 5 DHBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000932166903 1027395176 /nfs/dbraw/zinc/39/51/76/1027395176.db2.gz DHZKNKJECKNJRF-CYBMUJFWSA-N 1 0 310.369 3.513 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000574676205 1027417594 /nfs/dbraw/zinc/41/75/94/1027417594.db2.gz VFCMWWZSFHJWGS-CABCVRRESA-N 1 0 307.438 3.674 20 5 DHBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848634 1027446115 /nfs/dbraw/zinc/44/61/15/1027446115.db2.gz LKJXPVPUZPHMHW-KBXCAEBGSA-N 1 0 314.385 3.539 20 5 DHBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850521 1027447032 /nfs/dbraw/zinc/44/70/32/1027447032.db2.gz UTBAIRUGXXAXPI-KBXCAEBGSA-N 1 0 314.385 3.539 20 5 DHBDRO CCOC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000576172627 1027577693 /nfs/dbraw/zinc/57/76/93/1027577693.db2.gz RXZHUEJUPPZEBF-HNNXBMFYSA-N 1 0 304.390 3.521 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934333890 1027967691 /nfs/dbraw/zinc/96/76/91/1027967691.db2.gz RIAQWTCLRDNOGV-STQMWFEESA-N 1 0 317.414 3.677 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCCC34CCC4)co2)cc1 ZINC000365631720 1027985915 /nfs/dbraw/zinc/98/59/15/1027985915.db2.gz AIZFMHUNMVCNLX-UHFFFAOYSA-N 1 0 313.357 3.768 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cncc(OC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000601109188 1027986076 /nfs/dbraw/zinc/98/60/76/1027986076.db2.gz RUBDWDQCXOIULJ-MRXNPFEDSA-N 1 0 315.373 3.548 20 5 DHBDRO Cc1ccc(C[NH2+]CC2([C@H]3CCCCO3)CCC2)cc1[N+](=O)[O-] ZINC000601155898 1028007153 /nfs/dbraw/zinc/00/71/53/1028007153.db2.gz NUGVSFXRADOKKQ-QGZVFWFLSA-N 1 0 318.417 3.732 20 5 DHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C12CCC2 ZINC000783634469 1028083885 /nfs/dbraw/zinc/08/38/85/1028083885.db2.gz FPXNBXBBGPXPPG-GJZGRUSLSA-N 1 0 324.808 3.686 20 5 DHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C12CCC2 ZINC000783634468 1028085516 /nfs/dbraw/zinc/08/55/16/1028085516.db2.gz FPXNBXBBGPXPPG-CABCVRRESA-N 1 0 324.808 3.686 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1F ZINC000578651072 1028204871 /nfs/dbraw/zinc/20/48/71/1028204871.db2.gz BEJWFFNRCDTDPN-RWMBFGLXSA-N 1 0 312.410 3.946 20 5 DHBDRO CC1(C)SC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000579027401 1028303573 /nfs/dbraw/zinc/30/35/73/1028303573.db2.gz FDQLNPFRORDSIW-INWMFGNUSA-N 1 0 320.458 3.790 20 5 DHBDRO COC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449136903 1028387812 /nfs/dbraw/zinc/38/78/12/1028387812.db2.gz CUUJDMCPJDQHAD-WMLDXEAASA-N 1 0 314.385 3.503 20 5 DHBDRO CCOCC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000815137605 1028396255 /nfs/dbraw/zinc/39/62/55/1028396255.db2.gz ZNWYXSILCLXRKN-UHFFFAOYSA-N 1 0 321.204 3.806 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000449214736 1028457337 /nfs/dbraw/zinc/45/73/37/1028457337.db2.gz YZXZQKPCDJMDNT-UKPHBRMFSA-N 1 0 320.433 3.709 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000815566870 1028546211 /nfs/dbraw/zinc/54/62/11/1028546211.db2.gz HUOJYCJVLUGVMR-NEPJUHHUSA-N 1 0 317.364 3.770 20 5 DHBDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815585605 1028557095 /nfs/dbraw/zinc/55/70/95/1028557095.db2.gz MOKNABLNUQLTSS-MRVWCRGKSA-N 1 0 323.462 3.892 20 5 DHBDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348298 1028563138 /nfs/dbraw/zinc/56/31/38/1028563138.db2.gz LQYOELUYSBNRFN-WMLDXEAASA-N 1 0 314.385 3.503 20 5 DHBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCC[C@@H]1CC[NH2+]C1 ZINC000565299480 1028571508 /nfs/dbraw/zinc/57/15/08/1028571508.db2.gz ICMWDVNZAJGFFB-AWEZNQCLSA-N 1 0 312.369 3.640 20 5 DHBDRO CCCc1nc(C)c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449338220 1028574253 /nfs/dbraw/zinc/57/42/53/1028574253.db2.gz FWLSFHQKAYRDCY-LBPRGKRZSA-N 1 0 317.389 3.565 20 5 DHBDRO CCO[C@@H](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000565315859 1028575632 /nfs/dbraw/zinc/57/56/32/1028575632.db2.gz ZVCHKLGJYFMVCG-RDJZCZTQSA-N 1 0 306.406 3.623 20 5 DHBDRO C[C@H]([NH2+]C(C1CCC1)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625520 1028578001 /nfs/dbraw/zinc/57/80/01/1028578001.db2.gz GCHNJBXUVOCEHZ-NSHDSACASA-N 1 0 303.406 3.796 20 5 DHBDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449416218 1028615309 /nfs/dbraw/zinc/61/53/09/1028615309.db2.gz SCZIMVSFCFCLPU-MRXNPFEDSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000449495942 1028705778 /nfs/dbraw/zinc/70/57/78/1028705778.db2.gz FNNYXNGERZJVSQ-INIZCTEOSA-N 1 0 311.385 3.678 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000449495944 1028707109 /nfs/dbraw/zinc/70/71/09/1028707109.db2.gz FNNYXNGERZJVSQ-MRXNPFEDSA-N 1 0 311.385 3.678 20 5 DHBDRO CS[C@@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000687927371 1028751569 /nfs/dbraw/zinc/75/15/69/1028751569.db2.gz WGAAMRLKFMISKX-CYBMUJFWSA-N 1 0 314.838 3.966 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000449618299 1028855193 /nfs/dbraw/zinc/85/51/93/1028855193.db2.gz AWBDWEVOCXYGDG-UKRRQHHQSA-N 1 0 318.398 3.666 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C(C)(C)O1 ZINC000567367187 1028879679 /nfs/dbraw/zinc/87/96/79/1028879679.db2.gz XPIRFORXKPFOJG-DZGCQCFKSA-N 1 0 304.390 3.518 20 5 DHBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000816646674 1028971544 /nfs/dbraw/zinc/97/15/44/1028971544.db2.gz HMJTWMZIHJDPJW-NEPJUHHUSA-N 1 0 316.357 3.704 20 5 DHBDRO CC(C)(C[NH3+])c1ccc(Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC001159581620 1029044748 /nfs/dbraw/zinc/04/47/48/1029044748.db2.gz MKEKEUPHAJMMGS-UHFFFAOYSA-N 1 0 303.337 3.714 20 5 DHBDRO Cc1nc2c(s1)CCC[C@H]2C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000373576182 1029084065 /nfs/dbraw/zinc/08/40/65/1029084065.db2.gz XGIFAKISXCCJJZ-ZDUSSCGKSA-N 1 0 317.414 3.569 20 5 DHBDRO C[C@H]([NH2+][C@@H]1C[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000411775076 1029205384 /nfs/dbraw/zinc/20/53/84/1029205384.db2.gz WSFLJIKGKVNYRQ-MZPVMMEZSA-N 1 0 300.333 3.941 20 5 DHBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]2C1 ZINC000818334459 1029370855 /nfs/dbraw/zinc/37/08/55/1029370855.db2.gz MXYWDTZFFHJKLO-QJZHLUCQSA-N 1 0 324.808 3.541 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374806655 1029463251 /nfs/dbraw/zinc/46/32/51/1029463251.db2.gz MUFCOEFAANMEKX-FZKQIMNGSA-N 1 0 312.369 3.595 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819366340 1029551049 /nfs/dbraw/zinc/55/10/49/1029551049.db2.gz NZGIRJSTEZHUCH-IRXDYDNUSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819366341 1029551850 /nfs/dbraw/zinc/55/18/50/1029551850.db2.gz NZGIRJSTEZHUCH-SJORKVTESA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451545910 1029909242 /nfs/dbraw/zinc/90/92/42/1029909242.db2.gz HVDKQKGEEXJSRT-DZGCQCFKSA-N 1 0 315.373 3.832 20 5 DHBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549108 1029913075 /nfs/dbraw/zinc/91/30/75/1029913075.db2.gz OXZAIMXXGIYAOE-ZBFHGGJFSA-N 1 0 311.385 3.930 20 5 DHBDRO CC(C)OCCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551336 1029914098 /nfs/dbraw/zinc/91/40/98/1029914098.db2.gz UIWNGYUHVXMAIL-MRXNPFEDSA-N 1 0 306.406 3.589 20 5 DHBDRO C[C@@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467839112 1029973997 /nfs/dbraw/zinc/97/39/97/1029973997.db2.gz MXKNJYRWWLRGKE-HUUCEWRRSA-N 1 0 319.449 3.756 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cs1 ZINC000357349145 1030008866 /nfs/dbraw/zinc/00/88/66/1030008866.db2.gz CFBHJBJUAQLGDI-HOCLYGCPSA-N 1 0 318.398 3.524 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)c1 ZINC000865762465 1030011766 /nfs/dbraw/zinc/01/17/66/1030011766.db2.gz OQQFWGOBZHHWGB-BLLLJJGKSA-N 1 0 324.808 3.543 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1[N+](=O)[O-] ZINC000865858514 1030063994 /nfs/dbraw/zinc/06/39/94/1030063994.db2.gz FCKCPDJOQZLPAJ-SJORKVTESA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451963685 1030067007 /nfs/dbraw/zinc/06/70/07/1030067007.db2.gz HXZXBFZVKDLTAO-BBRMVZONSA-N 1 0 306.431 3.875 20 5 DHBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CC1(Cl)Cl ZINC000823116114 1030213094 /nfs/dbraw/zinc/21/30/94/1030213094.db2.gz QLZMZOAJTYIZFT-GFCCVEGCSA-N 1 0 317.216 3.653 20 5 DHBDRO CSc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000357876152 1030233873 /nfs/dbraw/zinc/23/38/73/1030233873.db2.gz WTUHHIIIROLIDD-GFCCVEGCSA-N 1 0 317.414 3.871 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)c1nccs1 ZINC000866338771 1030239805 /nfs/dbraw/zinc/23/98/05/1030239805.db2.gz XLBVQSQFWZYWLW-WDEREUQCSA-N 1 0 323.393 3.515 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC1(F)F ZINC000866367772 1030260302 /nfs/dbraw/zinc/26/03/02/1030260302.db2.gz OSFCJSXJCVBGHV-JQWIXIFHSA-N 1 0 316.323 3.690 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1CC(F)(F)C1 ZINC000866370394 1030262297 /nfs/dbraw/zinc/26/22/97/1030262297.db2.gz VOHSUAIQGGUIMF-SNVBAGLBSA-N 1 0 316.323 3.690 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000866507733 1030332504 /nfs/dbraw/zinc/33/25/04/1030332504.db2.gz GUYUSYYMCORTFJ-OWQGQXMQSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000866507735 1030333879 /nfs/dbraw/zinc/33/38/79/1030333879.db2.gz GUYUSYYMCORTFJ-XCRHUMRWSA-N 1 0 318.417 3.759 20 5 DHBDRO CC[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000866512094 1030338492 /nfs/dbraw/zinc/33/84/92/1030338492.db2.gz ZEPHGNSJXXUGAB-BPQIPLTHSA-N 1 0 318.417 3.841 20 5 DHBDRO CC[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000866527573 1030343881 /nfs/dbraw/zinc/34/38/81/1030343881.db2.gz KLSLILBBZPPLQG-WBVHZDCISA-N 1 0 318.417 3.842 20 5 DHBDRO C[C@@H]([NH2+]CCSCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000866542123 1030362780 /nfs/dbraw/zinc/36/27/80/1030362780.db2.gz WKXXNPZPXUJJBR-SNVBAGLBSA-N 1 0 322.352 3.931 20 5 DHBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540883 1030363056 /nfs/dbraw/zinc/36/30/56/1030363056.db2.gz SKMIWUDIBXLCAO-KRWDZBQOSA-N 1 0 312.369 3.689 20 5 DHBDRO C[C@H]([NH2+]CCSCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000866542300 1030363701 /nfs/dbraw/zinc/36/37/01/1030363701.db2.gz XTBZRAFIYPIMRX-JTQLQIEISA-N 1 0 322.352 3.931 20 5 DHBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925466888 1030369273 /nfs/dbraw/zinc/36/92/73/1030369273.db2.gz OUOHBGNFKBWUJX-LBPRGKRZSA-N 1 0 317.389 3.873 20 5 DHBDRO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000866622510 1030411456 /nfs/dbraw/zinc/41/14/56/1030411456.db2.gz NOSGOKLTYOZIBZ-BBRMVZONSA-N 1 0 304.390 3.737 20 5 DHBDRO CCc1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000358296432 1030426342 /nfs/dbraw/zinc/42/63/42/1030426342.db2.gz JNMZUUUPCBPOAN-UHFFFAOYSA-N 1 0 305.403 3.639 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)cc1Cl ZINC000824799068 1030641198 /nfs/dbraw/zinc/64/11/98/1030641198.db2.gz KMIJPVYTHYJVGU-JTQLQIEISA-N 1 0 304.724 3.773 20 5 DHBDRO C[C@]1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824964043 1030671917 /nfs/dbraw/zinc/67/19/17/1030671917.db2.gz IEXGPQDPTMEVHH-LBPRGKRZSA-N 1 0 303.189 3.658 20 5 DHBDRO C[C@]1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000824968069 1030689047 /nfs/dbraw/zinc/68/90/47/1030689047.db2.gz AEGQVKSZXSXSQA-JTQLQIEISA-N 1 0 309.218 3.720 20 5 DHBDRO COc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000825143516 1030734778 /nfs/dbraw/zinc/73/47/78/1030734778.db2.gz FQLILYLHWUFYDN-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO CCC[C@@H](NC[C@@H](C)[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000359021266 1030735411 /nfs/dbraw/zinc/73/54/11/1030735411.db2.gz UHGOFXXCZHIOIG-RHSMWYFYSA-N 1 0 307.438 3.756 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000359219730 1030845777 /nfs/dbraw/zinc/84/57/77/1030845777.db2.gz BXSFDPALIRAWKK-NWDGAFQWSA-N 1 0 303.337 3.849 20 5 DHBDRO Cc1cccc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001171096931 1030911633 /nfs/dbraw/zinc/91/16/33/1030911633.db2.gz SZKZKPZZMKCRKH-ZDUSSCGKSA-N 1 0 321.380 3.663 20 5 DHBDRO CC1(C)[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@@H]21 ZINC000559105821 1031127487 /nfs/dbraw/zinc/12/74/87/1031127487.db2.gz HOQQHIXOEILIMV-BETUJISGSA-N 1 0 314.307 3.701 20 5 DHBDRO CC(C)c1ccc(CN2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000536661238 1031374476 /nfs/dbraw/zinc/37/44/76/1031374476.db2.gz NSFFMADMWAHUTJ-UHFFFAOYSA-N 1 0 318.417 3.863 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000872021559 1031406357 /nfs/dbraw/zinc/40/63/57/1031406357.db2.gz QNHFZMCWRJGHRL-WCQYABFASA-N 1 0 310.419 3.536 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nccs1 ZINC000872027693 1031412569 /nfs/dbraw/zinc/41/25/69/1031412569.db2.gz GCVPXEJFPHVMKL-JTQLQIEISA-N 1 0 323.443 3.667 20 5 DHBDRO CCc1nc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000872030187 1031414189 /nfs/dbraw/zinc/41/41/89/1031414189.db2.gz APSVKIVORXWBGX-JTQLQIEISA-N 1 0 323.393 3.646 20 5 DHBDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872049808 1031438611 /nfs/dbraw/zinc/43/86/11/1031438611.db2.gz VDUUYCVAKKWYJM-DGCLKSJQSA-N 1 0 312.435 3.518 20 5 DHBDRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000536842236 1031451907 /nfs/dbraw/zinc/45/19/07/1031451907.db2.gz XLYJOZHDRUDOAG-KZULUSFZSA-N 1 0 314.360 3.800 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000872060420 1031454134 /nfs/dbraw/zinc/45/41/34/1031454134.db2.gz PWSMNSFWTRZSSJ-RWMBFGLXSA-N 1 0 324.446 3.782 20 5 DHBDRO CCOc1ccccc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000536832396 1031456912 /nfs/dbraw/zinc/45/69/12/1031456912.db2.gz JFGIJQWTNMMVOD-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000536857678 1031459724 /nfs/dbraw/zinc/45/97/24/1031459724.db2.gz LUNMQKSKKLKRMU-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO COCC(C)(C)CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071527 1031466814 /nfs/dbraw/zinc/46/68/14/1031466814.db2.gz QQXGAWHBFKUPGW-LBPRGKRZSA-N 1 0 312.385 3.837 20 5 DHBDRO COCC(C)(C)CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071526 1031468066 /nfs/dbraw/zinc/46/80/66/1031468066.db2.gz QQXGAWHBFKUPGW-GFCCVEGCSA-N 1 0 312.385 3.837 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C(C)(C)O ZINC000872074079 1031468660 /nfs/dbraw/zinc/46/86/60/1031468660.db2.gz VPQBANHALKDLPP-IINYFYTJSA-N 1 0 312.435 3.517 20 5 DHBDRO C[C@H]([NH2+]CCCC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872073095 1031470085 /nfs/dbraw/zinc/47/00/85/1031470085.db2.gz MIJBJQJOQFJJIM-LBPRGKRZSA-N 1 0 310.369 3.591 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000872076127 1031470988 /nfs/dbraw/zinc/47/09/88/1031470988.db2.gz XZNSHYNXLZKEDW-YGRLFVJLSA-N 1 0 310.419 3.535 20 5 DHBDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872079306 1031473980 /nfs/dbraw/zinc/47/39/80/1031473980.db2.gz LZKHDAXTLZGYEG-NEPJUHHUSA-N 1 0 312.435 3.640 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000872077319 1031474357 /nfs/dbraw/zinc/47/43/57/1031474357.db2.gz FUIOLLGDKGEGRH-MDZLAQPJSA-N 1 0 310.419 3.535 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872080060 1031476252 /nfs/dbraw/zinc/47/62/52/1031476252.db2.gz SKIGOEITZGFNSC-MMPTUQATSA-N 1 0 310.369 3.588 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872079978 1031476767 /nfs/dbraw/zinc/47/67/67/1031476767.db2.gz RBWQUDXIWQGRCI-DTWKUNHWSA-N 1 0 308.275 3.973 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000872083812 1031478701 /nfs/dbraw/zinc/47/87/01/1031478701.db2.gz ALCNRQDXXCHZQV-NWDGAFQWSA-N 1 0 322.430 3.679 20 5 DHBDRO COCC1(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872082257 1031478713 /nfs/dbraw/zinc/47/87/13/1031478713.db2.gz SSGBZECHRCZQCV-GFCCVEGCSA-N 1 0 324.446 3.784 20 5 DHBDRO COC1CC(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000872083991 1031478818 /nfs/dbraw/zinc/47/88/18/1031478818.db2.gz GFDFFZYCIDARCO-DCBWTQNWSA-N 1 0 324.446 3.782 20 5 DHBDRO C[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000872086377 1031483345 /nfs/dbraw/zinc/48/33/45/1031483345.db2.gz WEKUHOGWEPXYHU-VXGBXAGGSA-N 1 0 303.337 3.583 20 5 DHBDRO C[C@@H]([NH2+]CCC1SCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088504 1031484985 /nfs/dbraw/zinc/48/49/85/1031484985.db2.gz PIYKNJGUNFGQPK-SECBINFHSA-N 1 0 316.423 3.581 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872091169 1031487697 /nfs/dbraw/zinc/48/76/97/1031487697.db2.gz GATNDSUQMPMFDP-STQMWFEESA-N 1 0 322.380 3.591 20 5 DHBDRO COCC(C)(C)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000872104761 1031492837 /nfs/dbraw/zinc/49/28/37/1031492837.db2.gz OSNOVBADIGPJKW-MRXNPFEDSA-N 1 0 306.406 3.625 20 5 DHBDRO COCC(C)(C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000872104407 1031494011 /nfs/dbraw/zinc/49/40/11/1031494011.db2.gz DFPCXNYVHUHOOB-MRXNPFEDSA-N 1 0 320.433 3.568 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C(C)(C)O)cc1 ZINC000925309557 1031536047 /nfs/dbraw/zinc/53/60/47/1031536047.db2.gz HOLVTWHGVIGYCW-ZDUSSCGKSA-N 1 0 314.385 3.673 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293641656 1031553182 /nfs/dbraw/zinc/55/31/82/1031553182.db2.gz IBRDKEWXBGNSAI-UWVGGRQHSA-N 1 0 321.327 3.867 20 5 DHBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000537310393 1031567858 /nfs/dbraw/zinc/56/78/58/1031567858.db2.gz DLPGFDAXFVBKMR-MRXNPFEDSA-N 1 0 320.776 3.726 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872278251 1031572429 /nfs/dbraw/zinc/57/24/29/1031572429.db2.gz KWVWYPRORRVQTL-GOSISDBHSA-N 1 0 318.417 3.561 20 5 DHBDRO CC[C@@H](CSC)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000124327833 1031684633 /nfs/dbraw/zinc/68/46/33/1031684633.db2.gz WCCGJGJBUJUTGZ-NSHDSACASA-N 1 0 302.827 3.822 20 5 DHBDRO COCc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873009157 1031690804 /nfs/dbraw/zinc/69/08/04/1031690804.db2.gz USLLWTLVZDKEHS-UHFFFAOYSA-N 1 0 314.385 3.648 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)c1nccs1 ZINC000873104589 1031711800 /nfs/dbraw/zinc/71/18/00/1031711800.db2.gz OMZSLCPCMWYFPE-NSHDSACASA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1COCc2ccccc21 ZINC000873131985 1031720409 /nfs/dbraw/zinc/72/04/09/1031720409.db2.gz BRBBKAHLVCIBRB-KRWDZBQOSA-N 1 0 312.369 3.573 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000361157710 1031761547 /nfs/dbraw/zinc/76/15/47/1031761547.db2.gz XYFPXMSWEHPSLV-SFHVURJKSA-N 1 0 314.385 3.887 20 5 DHBDRO O=C1CCCN1CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000846076421 1031851671 /nfs/dbraw/zinc/85/16/71/1031851671.db2.gz PQTVJFFKLZYIHP-UHFFFAOYSA-N 1 0 318.420 3.705 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846109766 1031859165 /nfs/dbraw/zinc/85/91/65/1031859165.db2.gz VNDUYDDLZYKSEL-OMVNSRBRSA-N 1 0 308.328 3.729 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1 ZINC000846101916 1031872431 /nfs/dbraw/zinc/87/24/31/1031872431.db2.gz IDTDAOBPQJSXHL-LLVKDONJSA-N 1 0 303.189 3.658 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846105281 1031879357 /nfs/dbraw/zinc/87/93/57/1031879357.db2.gz QSRSIBFOEVCMDA-GFCCVEGCSA-N 1 0 317.216 3.967 20 5 DHBDRO CC1(C)CC2(CC([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])C2)CO1 ZINC000897973300 1031888636 /nfs/dbraw/zinc/88/86/36/1031888636.db2.gz QPOZVGPIDORHRV-FNORWQNLSA-N 1 0 316.401 3.545 20 5 DHBDRO CC[C@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777954174 1032028032 /nfs/dbraw/zinc/02/80/32/1032028032.db2.gz CYZSGLFXTCWFBE-AWEZNQCLSA-N 1 0 314.389 3.538 20 5 DHBDRO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC000361641557 1032031313 /nfs/dbraw/zinc/03/13/13/1032031313.db2.gz CKEKVIRUEXFJLQ-CZUORRHYSA-N 1 0 306.406 3.540 20 5 DHBDRO C[C@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC(C)(C)C ZINC000877463426 1033307422 /nfs/dbraw/zinc/30/74/22/1033307422.db2.gz DAOINIIKBVAHGQ-IYXRBSQSSA-N 1 0 308.426 3.547 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000927029160 1033339381 /nfs/dbraw/zinc/33/93/81/1033339381.db2.gz OQVXDJNFPVNSIB-JTNHKYCSSA-N 1 0 312.410 3.539 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC23CCOCC3)cc1Cl ZINC000877728062 1033422853 /nfs/dbraw/zinc/42/28/53/1033422853.db2.gz LEGNABRNEDNAOT-CYBMUJFWSA-N 1 0 324.808 3.545 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CCC(F)CC1)CC2 ZINC001172896858 1033434339 /nfs/dbraw/zinc/43/43/39/1033434339.db2.gz SSWHQLQIMZQVCF-PCKAHOCUSA-N 1 0 306.381 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)CC2 ZINC001172896796 1033435165 /nfs/dbraw/zinc/43/51/65/1033435165.db2.gz RVOVVJNBYSWCCA-BZUAXINKSA-N 1 0 306.381 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC3(CCC3)C1)CC2 ZINC001172906510 1033438000 /nfs/dbraw/zinc/43/80/00/1033438000.db2.gz XQQSFNIDNMEFLL-OAHLLOKOSA-N 1 0 300.402 3.765 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1COc3ccccc31)CC2 ZINC001172901898 1033438079 /nfs/dbraw/zinc/43/80/79/1033438079.db2.gz RDABUVFIMCSFFU-YJBOKZPZSA-N 1 0 324.380 3.566 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCc3ncccc31)CC2 ZINC001172902707 1033438130 /nfs/dbraw/zinc/43/81/30/1033438130.db2.gz LUPXSWBPTXZGHK-DNVCBOLYSA-N 1 0 323.396 3.514 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)CC2 ZINC001172895920 1033460903 /nfs/dbraw/zinc/46/09/03/1033460903.db2.gz JIZBULVEYIZIGZ-USXIJHARSA-N 1 0 306.381 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCC[C@H]1F)CC2 ZINC001172895919 1033462303 /nfs/dbraw/zinc/46/23/03/1033462303.db2.gz JIZBULVEYIZIGZ-DJIMGWMZSA-N 1 0 306.381 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H](C(F)F)C1)CC2 ZINC001172916099 1033464664 /nfs/dbraw/zinc/46/46/64/1033464664.db2.gz QQGCRXDVSDRBPB-GJZGRUSLSA-N 1 0 324.371 3.819 20 5 DHBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H](C)C1 ZINC001172914829 1033464895 /nfs/dbraw/zinc/46/48/95/1033464895.db2.gz JOCQUUTUIOCQJG-JKIFEVAISA-N 1 0 302.418 3.963 20 5 DHBDRO C[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H]1C ZINC001172917847 1033465120 /nfs/dbraw/zinc/46/51/20/1033465120.db2.gz XMKXZPZYBPNMLB-CKEIUWERSA-N 1 0 302.418 3.963 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(C(F)F)CC1)CC2 ZINC001172916823 1033465143 /nfs/dbraw/zinc/46/51/43/1033465143.db2.gz UCUKDBAKPASSNQ-OAHLLOKOSA-N 1 0 324.371 3.819 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909557 1033483078 /nfs/dbraw/zinc/48/30/78/1033483078.db2.gz SMKHLVPICAIIGW-PBHICJAKSA-N 1 0 302.418 3.964 20 5 DHBDRO CSC1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172912897 1033484740 /nfs/dbraw/zinc/48/47/40/1033484740.db2.gz COIHXXFVYGJDIE-HNNXBMFYSA-N 1 0 320.458 3.670 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000927066090 1033493245 /nfs/dbraw/zinc/49/32/45/1033493245.db2.gz KRWVNEDXBQQPOE-SUMWQHHRSA-N 1 0 316.405 3.685 20 5 DHBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152115453 1033501649 /nfs/dbraw/zinc/50/16/49/1033501649.db2.gz KWKBOQNPFBJAKK-NWDGAFQWSA-N 1 0 317.389 3.790 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000152511863 1033529215 /nfs/dbraw/zinc/52/92/15/1033529215.db2.gz JSFSKTVCEGYSCB-LBPRGKRZSA-N 1 0 318.348 3.983 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2[C@H](C)CCC[C@H]2C)c1F ZINC001173181063 1033580110 /nfs/dbraw/zinc/58/01/10/1033580110.db2.gz BGMKATIQIJKQHN-UPJWGTAASA-N 1 0 324.396 3.936 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1F ZINC001173181733 1033580514 /nfs/dbraw/zinc/58/05/14/1033580514.db2.gz PXCCWFZNCGOKED-RYUDHWBXSA-N 1 0 324.396 3.842 20 5 DHBDRO CCC1([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCC1 ZINC001173181099 1033580538 /nfs/dbraw/zinc/58/05/38/1033580538.db2.gz NWJLDRWKWZKAPC-LLVKDONJSA-N 1 0 310.369 3.596 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1F ZINC001173181735 1033581708 /nfs/dbraw/zinc/58/17/08/1033581708.db2.gz PXCCWFZNCGOKED-VXGBXAGGSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(CC3CC3)CC2)c1F ZINC001173180789 1033581866 /nfs/dbraw/zinc/58/18/66/1033581866.db2.gz TVRKCPSACNWVOX-NSHDSACASA-N 1 0 322.380 3.596 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](C)CC2)c1F ZINC001173182803 1033583351 /nfs/dbraw/zinc/58/33/51/1033583351.db2.gz UHSVQBQCRJNRLR-STQMWFEESA-N 1 0 324.396 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC23CCCC3)c1F ZINC001173183010 1033583679 /nfs/dbraw/zinc/58/36/79/1033583679.db2.gz VPSYYGLQDONURR-GFCCVEGCSA-N 1 0 322.380 3.692 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1F ZINC001173187080 1033584126 /nfs/dbraw/zinc/58/41/26/1033584126.db2.gz WMFSSOCOHGGEHH-NWDGAFQWSA-N 1 0 310.369 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H]2C(C)C)c1F ZINC001173193145 1033588137 /nfs/dbraw/zinc/58/81/37/1033588137.db2.gz QRSPXWGLZCHHAT-TZMCWYRMSA-N 1 0 324.396 3.794 20 5 DHBDRO CC[C@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173197567 1033588941 /nfs/dbraw/zinc/58/89/41/1033588941.db2.gz UNLUWAYDNLZKMY-STQMWFEESA-N 1 0 324.396 3.796 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c1cccc2F ZINC001173218055 1033597931 /nfs/dbraw/zinc/59/79/31/1033597931.db2.gz IVMFWJXDJYGXRC-SGTLLEGYSA-N 1 0 314.360 3.942 20 5 DHBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC001173236321 1033598147 /nfs/dbraw/zinc/59/81/47/1033598147.db2.gz ZVPNSUOZYNIPBC-GFCCVEGCSA-N 1 0 319.792 3.672 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCSCc1ccco1 ZINC001173215789 1033598303 /nfs/dbraw/zinc/59/83/03/1033598303.db2.gz ZTIQBCPXAVRGMM-CYBMUJFWSA-N 1 0 320.414 3.642 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2cccnc21 ZINC001173219151 1033599889 /nfs/dbraw/zinc/59/98/89/1033599889.db2.gz XOWBKVKWJVUKCX-SUMWQHHRSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC001173218850 1033600927 /nfs/dbraw/zinc/60/09/27/1033600927.db2.gz MQZCKZMHJRNNMS-KZULUSFZSA-N 1 0 312.369 3.509 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(F)(F)F)CC1 ZINC001173223241 1033603729 /nfs/dbraw/zinc/60/37/29/1033603729.db2.gz ZBKAGXQXKKSXHF-NSHDSACASA-N 1 0 316.323 3.800 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1Cc2cccc(F)c2C1 ZINC001173234866 1033608382 /nfs/dbraw/zinc/60/83/82/1033608382.db2.gz UKKRWVOCUVFTBB-LBPRGKRZSA-N 1 0 300.333 3.681 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001173232468 1033609527 /nfs/dbraw/zinc/60/95/27/1033609527.db2.gz GXJHIMXWLGPXRX-LBPRGKRZSA-N 1 0 319.792 3.706 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)c(F)cc1F ZINC001173213235 1033613343 /nfs/dbraw/zinc/61/33/43/1033613343.db2.gz HCPXENMUKDHXPG-SNVBAGLBSA-N 1 0 324.302 3.733 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cc(C[NH3+])c2ccccc21 ZINC001173211125 1033613732 /nfs/dbraw/zinc/61/37/32/1033613732.db2.gz PPFSDFXDDFVKKD-CYBMUJFWSA-N 1 0 309.369 3.812 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000878356329 1033670255 /nfs/dbraw/zinc/67/02/55/1033670255.db2.gz UNCMCXGQLLVNSB-GXTWGEPZSA-N 1 0 306.406 3.839 20 5 DHBDRO CCCC[C@H](C)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878632721 1033778679 /nfs/dbraw/zinc/77/86/79/1033778679.db2.gz MJNWWRLAPITFQN-LBPRGKRZSA-N 1 0 318.377 3.655 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000878647879 1033782159 /nfs/dbraw/zinc/78/21/59/1033782159.db2.gz JVSAIZWHXUXVSQ-INIZCTEOSA-N 1 0 311.385 3.678 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000479956238 1033979139 /nfs/dbraw/zinc/97/91/39/1033979139.db2.gz YHAWKWJLLDVYGQ-AKTONZINSA-N 1 0 318.417 3.791 20 5 DHBDRO COC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000480367318 1034205912 /nfs/dbraw/zinc/20/59/12/1034205912.db2.gz WQUJJQKIYZWEBX-CQSZACIVSA-N 1 0 306.406 3.903 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000178548820 1034247017 /nfs/dbraw/zinc/24/70/17/1034247017.db2.gz PRMKSULJMQGTOU-KGLIPLIRSA-N 1 0 314.385 3.807 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319656 1034297286 /nfs/dbraw/zinc/29/72/86/1034297286.db2.gz IFYUWWKOHPKTSL-CHWSQXEVSA-N 1 0 317.414 3.910 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000480642923 1034362589 /nfs/dbraw/zinc/36/25/89/1034362589.db2.gz NVZDPDMTENYCOE-ZNMIVQPWSA-N 1 0 305.422 3.508 20 5 DHBDRO COCCC(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000183942085 1034431315 /nfs/dbraw/zinc/43/13/15/1034431315.db2.gz OBDGPKFOECHQIX-MRXNPFEDSA-N 1 0 320.433 3.568 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000183983633 1034434516 /nfs/dbraw/zinc/43/45/16/1034434516.db2.gz JICXQVKTSKFMHL-ZBFHGGJFSA-N 1 0 306.406 3.903 20 5 DHBDRO Cc1cnc([C@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000186770906 1034660927 /nfs/dbraw/zinc/66/09/27/1034660927.db2.gz AWHFVGCAFXGSHC-ZYHUDNBSSA-N 1 0 305.403 3.814 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000555417917 1034695203 /nfs/dbraw/zinc/69/52/03/1034695203.db2.gz VMLZDILGZXBVKP-NSHDSACASA-N 1 0 314.307 3.846 20 5 DHBDRO C[C@@]1(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CCCS1 ZINC000600135824 1034761464 /nfs/dbraw/zinc/76/14/64/1034761464.db2.gz MRYPOYCCZDMLQB-AWEZNQCLSA-N 1 0 314.838 3.666 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)s2)cc1 ZINC000600190066 1034795104 /nfs/dbraw/zinc/79/51/04/1034795104.db2.gz GHOHHACPDHTQFM-BETUJISGSA-N 1 0 300.383 3.775 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cs1 ZINC000192374066 1034799628 /nfs/dbraw/zinc/79/96/28/1034799628.db2.gz MGQIAWHLKOMLMW-HOCLYGCPSA-N 1 0 318.398 3.524 20 5 DHBDRO COc1ccc(Nc2cc(C)[nH+]c3ccccc23)cc1[N+](=O)[O-] ZINC001176359081 1035256107 /nfs/dbraw/zinc/25/61/07/1035256107.db2.gz BYWIMJSQYXDEJA-UHFFFAOYSA-N 1 0 309.325 3.626 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000483549093 1035278877 /nfs/dbraw/zinc/27/88/77/1035278877.db2.gz XKIRVDQZYPCJQJ-OLZOCXBDSA-N 1 0 318.348 3.852 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000483713070 1035293399 /nfs/dbraw/zinc/29/33/99/1035293399.db2.gz MDPMIBFVTWRSPT-KBRIMQKVSA-N 1 0 318.417 3.902 20 5 DHBDRO COc1ccccc1C(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177565717 1035381261 /nfs/dbraw/zinc/38/12/61/1035381261.db2.gz GGVJVYYCBHUNNE-UHFFFAOYSA-N 1 0 314.385 3.671 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2c(F)cccc2Cl)c1 ZINC001178387408 1035424976 /nfs/dbraw/zinc/42/49/76/1035424976.db2.gz ZFYDKZCMHULHKI-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO Cc1ccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC001179385562 1035476581 /nfs/dbraw/zinc/47/65/81/1035476581.db2.gz BIFIMXOXMPXWSO-IHWYPQMZSA-N 1 0 318.323 3.984 20 5 DHBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000190928103 1035644255 /nfs/dbraw/zinc/64/42/55/1035644255.db2.gz AQVCGGMMBDVVCH-OLZOCXBDSA-N 1 0 316.357 3.512 20 5 DHBDRO COCc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569000254 1035687178 /nfs/dbraw/zinc/68/71/78/1035687178.db2.gz DZEVPKLUYCTJDH-QGZVFWFLSA-N 1 0 312.369 3.518 20 5 DHBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001193664347 1035700247 /nfs/dbraw/zinc/70/02/47/1035700247.db2.gz YEXVTTSXZCXVAV-ZIAGYGMSSA-N 1 0 306.406 3.778 20 5 DHBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000494592821 1035717804 /nfs/dbraw/zinc/71/78/04/1035717804.db2.gz USOUYZXHRDFGEF-KDOFPFPSSA-N 1 0 314.385 3.503 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000494669020 1035766398 /nfs/dbraw/zinc/76/63/98/1035766398.db2.gz SQVKTQFGYGJUGL-OAHLLOKOSA-N 1 0 324.808 3.639 20 5 DHBDRO CNc1ccc(C)cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001181153491 1035854705 /nfs/dbraw/zinc/85/47/05/1035854705.db2.gz DASHZDUXQRDHPR-UHFFFAOYSA-N 1 0 313.401 3.619 20 5 DHBDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001194191000 1035867562 /nfs/dbraw/zinc/86/75/62/1035867562.db2.gz MXWIPGOONZEGEQ-HOTGVXAUSA-N 1 0 324.396 3.807 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1C[C@H]1c1ccccc1)C2 ZINC000539829624 1035887201 /nfs/dbraw/zinc/88/72/01/1035887201.db2.gz PUWYCCHLTAAPSH-AEFFLSMTSA-N 1 0 308.381 3.757 20 5 DHBDRO C[N@@H+](C/C=C/c1cccc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC001181697939 1035975904 /nfs/dbraw/zinc/97/59/04/1035975904.db2.gz PKUGHBKKISDCDV-FNORWQNLSA-N 1 0 314.360 3.922 20 5 DHBDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540221628 1036018936 /nfs/dbraw/zinc/01/89/36/1036018936.db2.gz VDHRJWWGIQZTJR-JSGCOSHPSA-N 1 0 320.414 3.657 20 5 DHBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540220540 1036019499 /nfs/dbraw/zinc/01/94/99/1036019499.db2.gz QDQNGCQZWZQZKA-GXTWGEPZSA-N 1 0 320.414 3.657 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000774193738 1036217086 /nfs/dbraw/zinc/21/70/86/1036217086.db2.gz VLEOHNVGXNFVAX-RDBSUJKOSA-N 1 0 308.426 3.547 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC001182327976 1036229428 /nfs/dbraw/zinc/22/94/28/1036229428.db2.gz XDPMTGNXKLYVBW-KRWDZBQOSA-N 1 0 320.458 3.931 20 5 DHBDRO COc1cc(C[NH2+][C@@H](c2cccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000541582369 1036367252 /nfs/dbraw/zinc/36/72/52/1036367252.db2.gz VHOPDIZFTAJHMX-MRXNPFEDSA-N 1 0 318.398 3.906 20 5 DHBDRO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])c2cccnc12)C(C)C ZINC000029873804 1036408729 /nfs/dbraw/zinc/40/87/29/1036408729.db2.gz FYFDGFCYKGSSTN-UHFFFAOYSA-N 1 0 316.405 3.674 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC001196254880 1036481998 /nfs/dbraw/zinc/48/19/98/1036481998.db2.gz PIYQUJVLVDQSDD-AWEZNQCLSA-N 1 0 304.390 3.616 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC001206545494 1036483687 /nfs/dbraw/zinc/48/36/87/1036483687.db2.gz WKPSEMKPLAVHAM-OAHLLOKOSA-N 1 0 306.406 3.601 20 5 DHBDRO COCC(C)(C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000491499830 1036585999 /nfs/dbraw/zinc/58/59/99/1036585999.db2.gz IAQYSARSEJATDV-UHFFFAOYSA-N 1 0 318.373 3.617 20 5 DHBDRO CC(C)[C@@H](C)[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636496 1036602018 /nfs/dbraw/zinc/60/20/18/1036602018.db2.gz UYPTWFAKTAULMQ-SNVBAGLBSA-N 1 0 310.785 3.532 20 5 DHBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000271941056 1036716474 /nfs/dbraw/zinc/71/64/74/1036716474.db2.gz AQJLLGZQVMQARZ-JLJPHGGASA-N 1 0 306.406 3.839 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)cc1Cl ZINC001184066478 1036729968 /nfs/dbraw/zinc/72/99/68/1036729968.db2.gz MLMSMDHREYMAJZ-OAHLLOKOSA-N 1 0 324.808 3.830 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001197719764 1036856030 /nfs/dbraw/zinc/85/60/30/1036856030.db2.gz LXDKBSSFOWBKSG-MAUKXSAKSA-N 1 0 312.344 3.507 20 5 DHBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152128711 1036889130 /nfs/dbraw/zinc/88/91/30/1036889130.db2.gz BGTVFCSURPLKGH-NWDGAFQWSA-N 1 0 317.389 3.790 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC001184865853 1036966186 /nfs/dbraw/zinc/96/61/86/1036966186.db2.gz YNJPBTMCAAJHAH-BETUJISGSA-N 1 0 309.385 3.514 20 5 DHBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000488409010 1036995181 /nfs/dbraw/zinc/99/51/81/1036995181.db2.gz DBTWLIQETLEBDZ-CQSZACIVSA-N 1 0 306.406 3.874 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSC[C@H](C)C1 ZINC000488403962 1036999727 /nfs/dbraw/zinc/99/97/27/1036999727.db2.gz ZEGFELISTUATOL-MAUPQMMJSA-N 1 0 306.431 3.683 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000774836963 1037055440 /nfs/dbraw/zinc/05/54/40/1037055440.db2.gz UTQWLKHECQQOGI-LBPRGKRZSA-N 1 0 318.348 3.983 20 5 DHBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488538757 1037065396 /nfs/dbraw/zinc/06/53/96/1037065396.db2.gz DAYFYAQCVGPAGV-FZMZJTMJSA-N 1 0 314.838 3.868 20 5 DHBDRO C[C@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC001185231469 1037075574 /nfs/dbraw/zinc/07/55/74/1037075574.db2.gz YZGGVILGLSVSBP-MRVPVSSYSA-N 1 0 318.204 3.796 20 5 DHBDRO C[NH+](C)[C@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001185263543 1037084546 /nfs/dbraw/zinc/08/45/46/1037084546.db2.gz QIQYFFMUWLFNMH-LLVKDONJSA-N 1 0 318.204 3.654 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000774854539 1037104865 /nfs/dbraw/zinc/10/48/65/1037104865.db2.gz WQKZNRWRWWJOFW-HNNXBMFYSA-N 1 0 319.361 3.658 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCOCC12CCCC2 ZINC001198751419 1037121549 /nfs/dbraw/zinc/12/15/49/1037121549.db2.gz DFKCBFYMAUZYCK-HNNXBMFYSA-N 1 0 324.808 3.687 20 5 DHBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905225 1037196380 /nfs/dbraw/zinc/19/63/80/1037196380.db2.gz LPSJDPJUFFGTQN-CYBMUJFWSA-N 1 0 307.350 3.658 20 5 DHBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000489066300 1037258154 /nfs/dbraw/zinc/25/81/54/1037258154.db2.gz CDPOQMHQZWEIIL-ZDUSSCGKSA-N 1 0 302.349 3.797 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2cccc(F)c2)cc1Cl ZINC000761524151 1037342615 /nfs/dbraw/zinc/34/26/15/1037342615.db2.gz WFUCMYAGPBJXIA-UHFFFAOYSA-N 1 0 324.739 3.556 20 5 DHBDRO COC(C)(C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493245661 1037386567 /nfs/dbraw/zinc/38/65/67/1037386567.db2.gz DZHXJGGYTXNQAU-QGZVFWFLSA-N 1 0 314.385 3.699 20 5 DHBDRO CC(C)CCOC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000194240877 1037416129 /nfs/dbraw/zinc/41/61/29/1037416129.db2.gz SYQXHRJEUWVXDD-UHFFFAOYSA-N 1 0 312.435 3.683 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000609234553 1037461626 /nfs/dbraw/zinc/46/16/26/1037461626.db2.gz UWFWGVCJHPHJSU-GOSISDBHSA-N 1 0 312.369 3.558 20 5 DHBDRO CCO[C@@H](CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC001200910614 1037462313 /nfs/dbraw/zinc/46/23/13/1037462313.db2.gz HDJMBEVGSKJUJO-KRWDZBQOSA-N 1 0 308.422 3.752 20 5 DHBDRO Cc1cc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc(C2CC2)n1 ZINC000493790994 1037544985 /nfs/dbraw/zinc/54/49/85/1037544985.db2.gz HFWJGOGGYVIGAO-UHFFFAOYSA-N 1 0 324.384 3.740 20 5 DHBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC001187024423 1037545973 /nfs/dbraw/zinc/54/59/73/1037545973.db2.gz DSQKHJXXPIWWFC-KGLIPLIRSA-N 1 0 309.797 3.533 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(Cl)c1C ZINC001201634785 1037799530 /nfs/dbraw/zinc/79/95/30/1037799530.db2.gz RYOOOGMAJYIYGL-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]C/C=C\c2ccc(F)cc2)c1 ZINC001201822288 1037911027 /nfs/dbraw/zinc/91/10/27/1037911027.db2.gz IJRAQCJRTGOBNJ-RQOWECAXSA-N 1 0 300.333 3.579 20 5 DHBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000609195443 1038073129 /nfs/dbraw/zinc/07/31/29/1038073129.db2.gz VRYGITVMAFQRJG-INIZCTEOSA-N 1 0 306.406 3.874 20 5 DHBDRO COc1ccc(F)cc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000494410576 1038089367 /nfs/dbraw/zinc/08/93/67/1038089367.db2.gz GIAWJHJERJXIMJ-XQRVVYSFSA-N 1 0 316.332 3.546 20 5 DHBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000494503916 1038112953 /nfs/dbraw/zinc/11/29/53/1038112953.db2.gz HMFFPAQLTBXOBO-RDTXWAMCSA-N 1 0 314.385 3.769 20 5 DHBDRO CC[C@H](C)[C@H](C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001190911985 1038406379 /nfs/dbraw/zinc/40/63/79/1038406379.db2.gz AFPQGVUBKJXXKZ-KBPBESRZSA-N 1 0 306.406 3.873 20 5 DHBDRO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000588960899 1038413120 /nfs/dbraw/zinc/41/31/20/1038413120.db2.gz NTGFRWDHSIVWFG-ZFWWWQNUSA-N 1 0 307.438 3.674 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000588953984 1038416256 /nfs/dbraw/zinc/41/62/56/1038416256.db2.gz RTFKIXLBVATVAY-YVEFUNNKSA-N 1 0 312.369 3.942 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000589200244 1038449949 /nfs/dbraw/zinc/44/99/49/1038449949.db2.gz YAOKVPOMRWAKTB-HOTGVXAUSA-N 1 0 318.417 3.542 20 5 DHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCC3CCC3)CC2)cc1 ZINC001191232464 1038473455 /nfs/dbraw/zinc/47/34/55/1038473455.db2.gz HWRHXUWKPUZRGG-UHFFFAOYSA-N 1 0 304.390 3.628 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590601795 1038674319 /nfs/dbraw/zinc/67/43/19/1038674319.db2.gz QMHUTOLJWFFCFN-HUUCEWRRSA-N 1 0 311.385 3.930 20 5 DHBDRO Cc1ccc(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000058066253 1038903344 /nfs/dbraw/zinc/90/33/44/1038903344.db2.gz GGPARFCSNRZUKO-KSSFIOAISA-N 1 0 319.449 3.503 20 5 DHBDRO CCCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000058093448 1038917670 /nfs/dbraw/zinc/91/76/70/1038917670.db2.gz FJIKVKITZGVCOM-UHFFFAOYSA-N 1 0 314.385 3.716 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000599059446 1039017590 /nfs/dbraw/zinc/01/75/90/1039017590.db2.gz XIQAPQRHTRYLCV-SUMWQHHRSA-N 1 0 318.417 3.724 20 5 DHBDRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000599068651 1039025937 /nfs/dbraw/zinc/02/59/37/1039025937.db2.gz BLTZMUXJASKQSV-AWEZNQCLSA-N 1 0 313.401 3.927 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000599074723 1039028611 /nfs/dbraw/zinc/02/86/11/1039028611.db2.gz VULMAWYWUKUFDO-ZBFHGGJFSA-N 1 0 317.433 3.571 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085420 1039035571 /nfs/dbraw/zinc/03/55/71/1039035571.db2.gz QAVJZBXXXIEUJW-BHYGNILZSA-N 1 0 304.390 3.593 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085423 1039036205 /nfs/dbraw/zinc/03/62/05/1039036205.db2.gz QAVJZBXXXIEUJW-XIRDDKMYSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)F ZINC000592392226 1039176034 /nfs/dbraw/zinc/17/60/34/1039176034.db2.gz IYFGKZTZTICUKI-BXUZGUMPSA-N 1 0 312.360 3.797 20 5 DHBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000603844718 1039181691 /nfs/dbraw/zinc/18/16/91/1039181691.db2.gz QJYDAHYCVKRQNF-UHFFFAOYSA-N 1 0 320.776 3.759 20 5 DHBDRO C[C@H](c1ccccc1F)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000603855201 1039188463 /nfs/dbraw/zinc/18/84/63/1039188463.db2.gz OEBFTXZKDVEMIK-CYBMUJFWSA-N 1 0 318.348 3.806 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000603859504 1039194828 /nfs/dbraw/zinc/19/48/28/1039194828.db2.gz FLWQNMCBKFHQSI-CYBMUJFWSA-N 1 0 309.385 3.800 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)s1 ZINC000604408763 1039456080 /nfs/dbraw/zinc/45/60/80/1039456080.db2.gz JWWZNDGJYDZUED-AWEZNQCLSA-N 1 0 317.414 3.905 20 5 DHBDRO Cc1ccc([C@H](CNc2ccsc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000604473054 1039480564 /nfs/dbraw/zinc/48/05/64/1039480564.db2.gz XQIHEAKCEGELBT-AWEZNQCLSA-N 1 0 305.403 3.680 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC[NH+]1CCCCC1 ZINC000059023337 1039714878 /nfs/dbraw/zinc/71/48/78/1039714878.db2.gz MQDYWRXRBCFCQQ-UHFFFAOYSA-N 1 0 317.311 3.511 20 5 DHBDRO CCOc1ccccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505438 1039804091 /nfs/dbraw/zinc/80/40/91/1039804091.db2.gz VBHVOPZPJFECSC-INIZCTEOSA-N 1 0 312.369 3.771 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594522523 1039831273 /nfs/dbraw/zinc/83/12/73/1039831273.db2.gz ZCKJFLPTPCFEMI-OKZBNKHCSA-N 1 0 317.433 3.652 20 5 DHBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000594591809 1039838574 /nfs/dbraw/zinc/83/85/74/1039838574.db2.gz LLFQOOHKMLZVQU-XBXGTLAGSA-N 1 0 321.421 3.524 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@]1(C)CC1(F)F ZINC000594978679 1039950831 /nfs/dbraw/zinc/95/08/31/1039950831.db2.gz VHBYFWTXNGWZEA-CQSZACIVSA-N 1 0 314.332 3.519 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(F)F ZINC000594984538 1040000589 /nfs/dbraw/zinc/00/05/89/1040000589.db2.gz JBTVFBVGCLEZMD-HNNXBMFYSA-N 1 0 322.311 3.990 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000595003276 1040013639 /nfs/dbraw/zinc/01/36/39/1040013639.db2.gz FWBQUVMNVGIPGS-YVEFUNNKSA-N 1 0 312.369 3.942 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccsc1 ZINC000595003476 1040014873 /nfs/dbraw/zinc/01/48/73/1040014873.db2.gz HFHUVEMYPSIXOF-LLVKDONJSA-N 1 0 306.387 3.558 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000595003887 1040014929 /nfs/dbraw/zinc/01/49/29/1040014929.db2.gz MSAAOWAEDKXWTE-VXGBXAGGSA-N 1 0 320.414 3.947 20 5 DHBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000594044757 1040015881 /nfs/dbraw/zinc/01/58/81/1040015881.db2.gz RFOAVXGAWHHPKA-SECBINFHSA-N 1 0 304.362 3.960 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000595007653 1040017916 /nfs/dbraw/zinc/01/79/16/1040017916.db2.gz POENBLGJCHPQLS-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000595046172 1040046878 /nfs/dbraw/zinc/04/68/78/1040046878.db2.gz JDMXLCMTCNDEGN-OBJOEFQTSA-N 1 0 322.405 3.600 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cscc1C ZINC000595047113 1040049215 /nfs/dbraw/zinc/04/92/15/1040049215.db2.gz RGTQRFHGJUBJPV-LLVKDONJSA-N 1 0 306.387 3.824 20 5 DHBDRO COCC(C)(C)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595052728 1040053324 /nfs/dbraw/zinc/05/33/24/1040053324.db2.gz URWNNGZPEQPPET-ZDUSSCGKSA-N 1 0 324.421 3.707 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000595101946 1040067115 /nfs/dbraw/zinc/06/71/15/1040067115.db2.gz GOKISGJXBVJSFT-PMUMKWKESA-N 1 0 314.385 3.676 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000595104718 1040068067 /nfs/dbraw/zinc/06/80/67/1040068067.db2.gz SJCCDVDWJGEIBG-PMUMKWKESA-N 1 0 314.385 3.676 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595108505 1040070608 /nfs/dbraw/zinc/07/06/08/1040070608.db2.gz QUSYFISCOYXQQJ-GDBMZVCRSA-N 1 0 306.406 3.841 20 5 DHBDRO COc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000595108151 1040070758 /nfs/dbraw/zinc/07/07/58/1040070758.db2.gz YUCFADWVTZTSOB-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595079011 1040072510 /nfs/dbraw/zinc/07/25/10/1040072510.db2.gz BZDKFUMWJVUDIR-GDBMZVCRSA-N 1 0 317.433 3.652 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000595084412 1040074944 /nfs/dbraw/zinc/07/49/44/1040074944.db2.gz FOTYKXAFXLLELM-IAGOWNOFSA-N 1 0 310.353 3.565 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000595089893 1040076049 /nfs/dbraw/zinc/07/60/49/1040076049.db2.gz QDQUXGBUWZWIJU-XIKOKIGWSA-N 1 0 312.369 3.947 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCc1ccco1)C1CC1 ZINC000595094249 1040078822 /nfs/dbraw/zinc/07/88/22/1040078822.db2.gz SVZYEABQPOKFLM-KRWDZBQOSA-N 1 0 314.385 3.731 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000595093498 1040079169 /nfs/dbraw/zinc/07/91/69/1040079169.db2.gz BPKUSMNUAFCSIA-DYVFJYSZSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2CCC2CCCC2)c1[N+](=O)[O-] ZINC000595352814 1040125147 /nfs/dbraw/zinc/12/51/47/1040125147.db2.gz OLJDIXLKNRHEOB-CQSZACIVSA-N 1 0 307.394 3.826 20 5 DHBDRO Cc1noc(C[N@@H+]2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000595507085 1040155894 /nfs/dbraw/zinc/15/58/94/1040155894.db2.gz JVWOEXZJMKVCGG-KYOSRNDESA-N 1 0 315.373 3.658 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c(F)c1 ZINC000595500710 1040156276 /nfs/dbraw/zinc/15/62/76/1040156276.db2.gz KGKNTAHHXWCDNL-CQSZACIVSA-N 1 0 315.348 3.509 20 5 DHBDRO O=[N+]([O-])c1sccc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063258393 1040163686 /nfs/dbraw/zinc/16/36/86/1040163686.db2.gz JMLHXTYHTBZEFX-AWEZNQCLSA-N 1 0 317.414 3.733 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063282694 1040171751 /nfs/dbraw/zinc/17/17/51/1040171751.db2.gz ODEMLTTWNSAFJL-UHFFFAOYSA-N 1 0 303.406 3.661 20 5 DHBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595638870 1040198373 /nfs/dbraw/zinc/19/83/73/1040198373.db2.gz MYLSILLXCXTHNE-LLVKDONJSA-N 1 0 318.377 3.559 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000595701811 1040223927 /nfs/dbraw/zinc/22/39/27/1040223927.db2.gz FXONHDHRJKYXQU-KRWDZBQOSA-N 1 0 300.333 3.723 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595787537 1040255154 /nfs/dbraw/zinc/25/51/54/1040255154.db2.gz JRLNHUMXEHCXGW-KDOFPFPSSA-N 1 0 318.417 3.937 20 5 DHBDRO CC(C)CC1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000595831722 1040264969 /nfs/dbraw/zinc/26/49/69/1040264969.db2.gz QRPMBZXDOKYQGA-UHFFFAOYSA-N 1 0 315.373 3.918 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccon2)CC1 ZINC000595827562 1040266258 /nfs/dbraw/zinc/26/62/58/1040266258.db2.gz DIHVRMOQRGIQLL-LBPRGKRZSA-N 1 0 301.346 3.523 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491206188 1040637206 /nfs/dbraw/zinc/63/72/06/1040637206.db2.gz CVQJHEMCCKFEPH-CQSZACIVSA-N 1 0 304.390 3.614 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000323925793 1040650042 /nfs/dbraw/zinc/65/00/42/1040650042.db2.gz WLXISKWMUONEJH-LLVKDONJSA-N 1 0 313.195 3.636 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CNc3ccccc3C2)cc1[N+](=O)[O-] ZINC000593319778 1040720238 /nfs/dbraw/zinc/72/02/38/1040720238.db2.gz PIUBJURUBKOGAJ-CZUORRHYSA-N 1 0 311.385 3.591 20 5 DHBDRO CCC1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000534164364 1040733935 /nfs/dbraw/zinc/73/39/35/1040733935.db2.gz RIMLRMVBBBKVMB-UHFFFAOYSA-N 1 0 306.406 3.767 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000534329075 1040802922 /nfs/dbraw/zinc/80/29/22/1040802922.db2.gz GUWMDXYUVWCDHI-CYBMUJFWSA-N 1 0 318.373 3.788 20 5 DHBDRO c1cn(CC[NH2+]Cc2c3ccccc3cc3ccccc32)cn1 ZINC000060831208 1041118286 /nfs/dbraw/zinc/11/82/86/1041118286.db2.gz KZFWEQWNQMFCOF-UHFFFAOYSA-N 1 0 301.393 3.979 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC1(F)F ZINC000602639414 1041139851 /nfs/dbraw/zinc/13/98/51/1041139851.db2.gz IMVPLNKRTGXYEO-HQJQHLMTSA-N 1 0 324.249 3.747 20 5 DHBDRO Cc1cc(N2CC[C@]3(CC3(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593522858 1041145770 /nfs/dbraw/zinc/14/57/70/1041145770.db2.gz VEQXINKRQWDANY-HNNXBMFYSA-N 1 0 319.311 3.687 20 5 DHBDRO Cc1ccccc1[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602807481 1041232712 /nfs/dbraw/zinc/23/27/12/1041232712.db2.gz UYHFJMAKKKZSOV-OAHLLOKOSA-N 1 0 316.405 3.514 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602857965 1041267052 /nfs/dbraw/zinc/26/70/52/1041267052.db2.gz ZNAXGOMQBLNQQG-RHSMWYFYSA-N 1 0 311.385 3.930 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761280100 1041273112 /nfs/dbraw/zinc/27/31/12/1041273112.db2.gz LTTZCOYXJQZQJK-JSGCOSHPSA-N 1 0 316.405 3.721 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000090217366 185286992 /nfs/dbraw/zinc/28/69/92/185286992.db2.gz JEAZJYNQSFRPIF-RYUDHWBXSA-N 1 0 303.337 3.849 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090728399 185311640 /nfs/dbraw/zinc/31/16/40/185311640.db2.gz KJGHTGSQDPRQCX-CMPLNLGQSA-N 1 0 317.389 3.962 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000089513458 192806588 /nfs/dbraw/zinc/80/65/88/192806588.db2.gz HUPDVAONVWKEAQ-QGZVFWFLSA-N 1 0 314.410 3.715 20 5 DHBDRO CCOCCC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000090722576 192927140 /nfs/dbraw/zinc/92/71/40/192927140.db2.gz HVWWYVBNYWTMPE-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)c(Cl)c1 ZINC000272835461 130067853 /nfs/dbraw/zinc/06/78/53/130067853.db2.gz RSRCHEWXFKMHNC-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC[C@@H]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000273271380 130102089 /nfs/dbraw/zinc/10/20/89/130102089.db2.gz OOSOBCRKESWDMJ-VHDGCEQUSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000273448873 130123365 /nfs/dbraw/zinc/12/33/65/130123365.db2.gz YIXOGIGRBZAVAS-NVXWUHKLSA-N 1 0 306.406 3.587 20 5 DHBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278715023 130714377 /nfs/dbraw/zinc/71/43/77/130714377.db2.gz LXQLLAWQLPCZSV-OLMNPRSZSA-N 1 0 318.417 3.765 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000353480647 131109352 /nfs/dbraw/zinc/10/93/52/131109352.db2.gz CGWRCWGYHYDUQA-PBHICJAKSA-N 1 0 307.438 3.756 20 5 DHBDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297155564 132002075 /nfs/dbraw/zinc/00/20/75/132002075.db2.gz COCLMRTUZDDDQO-CMPLNLGQSA-N 1 0 320.311 3.603 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000298988843 132085099 /nfs/dbraw/zinc/08/50/99/132085099.db2.gz PUQZEQOERXSJKF-KBXCAEBGSA-N 1 0 314.385 3.678 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163895068 132125898 /nfs/dbraw/zinc/12/58/98/132125898.db2.gz OXIRFKVUYYGCJG-MLGOLLRUSA-N 1 0 302.378 3.520 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(c2ccccn2)CCC1 ZINC000570739538 332809378 /nfs/dbraw/zinc/80/93/78/332809378.db2.gz PVKDMIKGQDDNLN-INIZCTEOSA-N 1 0 323.396 3.689 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000583944058 331478004 /nfs/dbraw/zinc/47/80/04/331478004.db2.gz BAEHWJIUYPNPCE-BXUZGUMPSA-N 1 0 310.344 3.997 20 5 DHBDRO C[C@](CO)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000255413321 331738775 /nfs/dbraw/zinc/73/87/75/331738775.db2.gz LSDCAOMOYBJKSE-YPLUBFQTSA-N 1 0 318.417 3.529 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090224560 331822601 /nfs/dbraw/zinc/82/26/01/331822601.db2.gz RYGWFWDXMLKMTB-INIZCTEOSA-N 1 0 300.358 3.844 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc(C(F)(F)F)c1 ZINC000558257275 331889867 /nfs/dbraw/zinc/88/98/67/331889867.db2.gz YARGJOULRRTPFA-ZIAGYGMSSA-N 1 0 314.307 3.892 20 5 DHBDRO CCO[C@@H](CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449181057 331937549 /nfs/dbraw/zinc/93/75/49/331937549.db2.gz DRQKFYBKLXECAL-PBHICJAKSA-N 1 0 308.422 3.567 20 5 DHBDRO CCC(CC)C[N@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000409857232 332061076 /nfs/dbraw/zinc/06/10/76/332061076.db2.gz SOHDCUMVHZESEY-UHFFFAOYSA-N 1 0 321.421 3.682 20 5 DHBDRO CC1(F)CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000449369315 332082662 /nfs/dbraw/zinc/08/26/62/332082662.db2.gz BVJJIGRVQXCIOV-UHFFFAOYSA-N 1 0 304.321 3.835 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000408201455 332241139 /nfs/dbraw/zinc/24/11/39/332241139.db2.gz FMSRIMIXJGXCSK-KBPBESRZSA-N 1 0 304.390 3.547 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000122798948 332413710 /nfs/dbraw/zinc/41/37/10/332413710.db2.gz NUNKLTCBFUUXES-HNNXBMFYSA-N 1 0 319.792 3.927 20 5 DHBDRO CCC(CC)[C@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302138017 332982358 /nfs/dbraw/zinc/98/23/58/332982358.db2.gz DPIFAJLATKKAMG-QGZVFWFLSA-N 1 0 317.389 3.660 20 5 DHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCCC2 ZINC000323353901 333019775 /nfs/dbraw/zinc/01/97/75/333019775.db2.gz JKIRIOIMSGKBJL-SJORKVTESA-N 1 0 318.417 3.731 20 5 DHBDRO CCC(CC)[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000314114294 333087594 /nfs/dbraw/zinc/08/75/94/333087594.db2.gz NYOZKBZHQZXBNZ-CXAGYDPISA-N 1 0 307.438 3.612 20 5 DHBDRO CC[NH+](CC)CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000314135004 333088795 /nfs/dbraw/zinc/08/87/95/333088795.db2.gz OIYUEIYSJPPFLA-UHFFFAOYSA-N 1 0 319.327 3.757 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000314227084 333095358 /nfs/dbraw/zinc/09/53/58/333095358.db2.gz UQDYAWSIKZXXHT-IRXDYDNUSA-N 1 0 305.422 3.510 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000178719507 333142966 /nfs/dbraw/zinc/14/29/66/333142966.db2.gz QTDLWKBVXLFSRB-SJKOYZFVSA-N 1 0 316.405 3.829 20 5 DHBDRO C[C@H](C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000183989442 333190786 /nfs/dbraw/zinc/19/07/86/333190786.db2.gz BDWOMHGPKLWEFU-NEPJUHHUSA-N 1 0 305.403 3.848 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000388327769 333267370 /nfs/dbraw/zinc/26/73/70/333267370.db2.gz CQTATNDIIIUTJT-DQYPLSBCSA-N 1 0 306.406 3.839 20 5 DHBDRO CC(C)(C)C(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582118021 333293020 /nfs/dbraw/zinc/29/30/20/333293020.db2.gz UCSAHFHFBPUOOP-UHFFFAOYSA-N 1 0 321.421 3.585 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000186725692 333377316 /nfs/dbraw/zinc/37/73/16/333377316.db2.gz YECWQUBMYQAEJV-NEPJUHHUSA-N 1 0 305.403 3.814 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000186725722 333377391 /nfs/dbraw/zinc/37/73/91/333377391.db2.gz YECWQUBMYQAEJV-RYUDHWBXSA-N 1 0 305.403 3.814 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000186725704 333377481 /nfs/dbraw/zinc/37/74/81/333377481.db2.gz YECWQUBMYQAEJV-NWDGAFQWSA-N 1 0 305.403 3.814 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1OC ZINC000320280958 333492499 /nfs/dbraw/zinc/49/24/99/333492499.db2.gz WHQYKNYYIUNVAK-QGZVFWFLSA-N 1 0 314.385 3.887 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)oc2C)cc1[N+](=O)[O-] ZINC000124900967 333502923 /nfs/dbraw/zinc/50/29/23/333502923.db2.gz HBVMFBPMLXTYHH-NSHDSACASA-N 1 0 304.346 3.664 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000320328260 333515940 /nfs/dbraw/zinc/51/59/40/333515940.db2.gz HYJWZMGZCKCQMB-CYBMUJFWSA-N 1 0 311.401 3.965 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000531734837 333551314 /nfs/dbraw/zinc/55/13/14/333551314.db2.gz TWJZPHFRKAFJMP-GUDXXQAFSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)OCC2CC2)cc1[N+](=O)[O-] ZINC000414241487 333918743 /nfs/dbraw/zinc/91/87/43/333918743.db2.gz LLZWGJURJHXQJO-ZDUSSCGKSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CS1 ZINC000414496001 333997481 /nfs/dbraw/zinc/99/74/81/333997481.db2.gz CNJVEIRBADLULH-WCQYABFASA-N 1 0 318.398 3.838 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)CC(F)(F)F ZINC000414524813 334007582 /nfs/dbraw/zinc/00/75/82/334007582.db2.gz HOASKQJPRDMFML-SNVBAGLBSA-N 1 0 320.311 3.672 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000414539259 334012979 /nfs/dbraw/zinc/01/29/79/334012979.db2.gz MXDAWEBUQGBBNT-QGZVFWFLSA-N 1 0 318.417 3.540 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000275634337 334072627 /nfs/dbraw/zinc/07/26/27/334072627.db2.gz QVSVMALKWYHNGZ-OLZOCXBDSA-N 1 0 316.323 3.848 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCSC3)o2)cc1 ZINC000279844481 334112376 /nfs/dbraw/zinc/11/23/76/334112376.db2.gz CZAMPIFNBBHYDK-GFCCVEGCSA-N 1 0 318.398 3.698 20 5 DHBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295066108 334216769 /nfs/dbraw/zinc/21/67/69/334216769.db2.gz OVSUVUKTAGFSMS-MRVPVSSYSA-N 1 0 321.204 3.541 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000531938898 334299737 /nfs/dbraw/zinc/29/97/37/334299737.db2.gz UBEHYOQFYAITNE-GOEBONIOSA-N 1 0 319.449 3.676 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccccc2F)c(Cl)c1 ZINC000049963158 334359626 /nfs/dbraw/zinc/35/96/26/334359626.db2.gz BRNDDAVMXUTSDK-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CC[C@H](F)C3)cs2)c1 ZINC000342310273 334527478 /nfs/dbraw/zinc/52/74/78/334527478.db2.gz UHHVRUNROAOWLJ-NWDGAFQWSA-N 1 0 321.377 3.699 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000468010211 334670480 /nfs/dbraw/zinc/67/04/80/334670480.db2.gz VKELRLZXUNWNNA-MRXNPFEDSA-N 1 0 300.333 3.554 20 5 DHBDRO COCCCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417344093 334705936 /nfs/dbraw/zinc/70/59/36/334705936.db2.gz RNMMXMVFIBBYJT-KRWDZBQOSA-N 1 0 306.406 3.769 20 5 DHBDRO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349986 334706224 /nfs/dbraw/zinc/70/62/24/334706224.db2.gz NSPPVCSKKVDYCF-WBMJQRKESA-N 1 0 306.406 3.501 20 5 DHBDRO C[C@H](CCCCO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417354134 334706677 /nfs/dbraw/zinc/70/66/77/334706677.db2.gz YXKYJYSAHKAFAL-DYVFJYSZSA-N 1 0 306.406 3.503 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000344083885 335216415 /nfs/dbraw/zinc/21/64/15/335216415.db2.gz ZZPDABSFUFLORH-KRWDZBQOSA-N 1 0 314.385 3.887 20 5 DHBDRO CCCC[N@H+](C)C[C@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000344133040 335220476 /nfs/dbraw/zinc/22/04/76/335220476.db2.gz YADMWVFXOLYFSB-YOEHRIQHSA-N 1 0 307.438 3.756 20 5 DHBDRO CCC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000344313735 335240090 /nfs/dbraw/zinc/24/00/90/335240090.db2.gz ZODFBXCWWFYPQN-IAGOWNOFSA-N 1 0 320.433 3.823 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000344771510 335276262 /nfs/dbraw/zinc/27/62/62/335276262.db2.gz YASYAPKLPOQRHU-AWEZNQCLSA-N 1 0 313.401 3.834 20 5 DHBDRO CO[C@@H](CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000345440026 335330085 /nfs/dbraw/zinc/33/00/85/335330085.db2.gz AEICVYMCUCDYRE-MFKMUULPSA-N 1 0 320.311 3.521 20 5 DHBDRO CC[C@@H]([NH2+]CC[C@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000345519550 335334191 /nfs/dbraw/zinc/33/41/91/335334191.db2.gz PSABWPZMJRHMMZ-OLZOCXBDSA-N 1 0 320.311 3.603 20 5 DHBDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000345690026 335342081 /nfs/dbraw/zinc/34/20/81/335342081.db2.gz GJGJPJMWSYFEQB-MEBBXXQBSA-N 1 0 324.377 3.661 20 5 DHBDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000345696622 335342652 /nfs/dbraw/zinc/34/26/52/335342652.db2.gz VZTMCMWOECJBGY-SJKOYZFVSA-N 1 0 318.348 3.600 20 5 DHBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000345700136 335343150 /nfs/dbraw/zinc/34/31/50/335343150.db2.gz JRAMHNOTRRHKIX-PXAZEXFGSA-N 1 0 318.348 3.600 20 5 DHBDRO Cc1csc(C2([NH2+]CCc3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000345723993 335345836 /nfs/dbraw/zinc/34/58/36/335345836.db2.gz KEYOWYDNAATARZ-UHFFFAOYSA-N 1 0 317.414 3.571 20 5 DHBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000347631180 335512154 /nfs/dbraw/zinc/51/21/54/335512154.db2.gz BERUDVSMNGUNOT-OLZOCXBDSA-N 1 0 315.373 3.719 20 5 DHBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000536188326 335829457 /nfs/dbraw/zinc/82/94/57/335829457.db2.gz YKTJTPWLOWYDNQ-UHFFFAOYSA-N 1 0 321.421 3.527 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000332317059 336167942 /nfs/dbraw/zinc/16/79/42/336167942.db2.gz MWTWDSWNRDVVPW-QWHCGFSZSA-N 1 0 317.414 3.992 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192591138 336169825 /nfs/dbraw/zinc/16/98/25/336169825.db2.gz SIJQUDYMULUEGD-GOSISDBHSA-N 1 0 312.369 3.771 20 5 DHBDRO COc1cc(C[N@H+](Cc2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000351982583 336185678 /nfs/dbraw/zinc/18/56/78/336185678.db2.gz DXALIVNONZBVTH-UHFFFAOYSA-N 1 0 312.369 3.768 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540042 336223332 /nfs/dbraw/zinc/22/33/32/336223332.db2.gz GMMBQHHVSVAOKB-ZIAGYGMSSA-N 1 0 324.446 3.709 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000352546542 336223863 /nfs/dbraw/zinc/22/38/63/336223863.db2.gz WRBFQRBAVPKMGZ-YJBOKZPZSA-N 1 0 318.417 3.857 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000532522598 336252534 /nfs/dbraw/zinc/25/25/34/336252534.db2.gz KTTWYGOMISWTJH-IAOVAPTHSA-N 1 0 318.417 3.902 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2cc(C)ccc2[N+](=O)[O-])c1 ZINC000301558313 336314750 /nfs/dbraw/zinc/31/47/50/336314750.db2.gz JHTGMWFLWWRHST-UHFFFAOYSA-N 1 0 313.401 3.967 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000301573639 336315921 /nfs/dbraw/zinc/31/59/21/336315921.db2.gz PPHMKAWOIYZIPH-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000301820323 336332283 /nfs/dbraw/zinc/33/22/83/336332283.db2.gz AZOGLEDBFXYNEN-QAPCUYQASA-N 1 0 311.385 3.761 20 5 DHBDRO C[N@@H+]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301823999 336332439 /nfs/dbraw/zinc/33/24/39/336332439.db2.gz CWJXOKGXMVIJPK-WBVHZDCISA-N 1 0 315.348 3.591 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000301986411 336341475 /nfs/dbraw/zinc/34/14/75/336341475.db2.gz MHQRJUSWOJJNMQ-HZPDHXFCSA-N 1 0 317.433 3.686 20 5 DHBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000301990862 336341772 /nfs/dbraw/zinc/34/17/72/336341772.db2.gz PJLHYXZMLSHZGE-MRXNPFEDSA-N 1 0 317.433 3.543 20 5 DHBDRO C[C@@H](CNc1sccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000301995910 336342012 /nfs/dbraw/zinc/34/20/12/336342012.db2.gz PQQOZVCGOLCLMP-JTQLQIEISA-N 1 0 323.443 3.577 20 5 DHBDRO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302052744 336345690 /nfs/dbraw/zinc/34/56/90/336345690.db2.gz OYLSVPROBGKCFC-CHWSQXEVSA-N 1 0 321.396 3.799 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2cccc(C)c2[N+](=O)[O-])c1 ZINC000302471384 336359426 /nfs/dbraw/zinc/35/94/26/336359426.db2.gz CXBQCJOZDVBZMX-UHFFFAOYSA-N 1 0 313.401 3.967 20 5 DHBDRO Cc1cc(N2CCS[C@H](C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302739751 336367322 /nfs/dbraw/zinc/36/73/22/336367322.db2.gz QEBUCEKFTXVNOJ-GFCCVEGCSA-N 1 0 317.414 3.783 20 5 DHBDRO CCC[C@H]([NH2+]CCc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000353986764 336452903 /nfs/dbraw/zinc/45/29/03/336452903.db2.gz LBTYUOIEHDAJCB-INIZCTEOSA-N 1 0 303.362 3.565 20 5 DHBDRO CCC[C@H]([NH2+][C@H](CC)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000358252608 336619599 /nfs/dbraw/zinc/61/95/99/336619599.db2.gz OCYXUWJAKRZNTB-IXDOHACOSA-N 1 0 306.406 3.983 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000359083199 336656893 /nfs/dbraw/zinc/65/68/93/336656893.db2.gz OZMPHKOKPZSLOL-WBVHZDCISA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC([NH2+]C2CCCC2)CC1 ZINC000367729598 336828790 /nfs/dbraw/zinc/82/87/90/336828790.db2.gz QAWJNXBSPSNVDY-UHFFFAOYSA-N 1 0 323.824 3.749 20 5 DHBDRO C[C@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCC12CCOCC2 ZINC000375240397 337006400 /nfs/dbraw/zinc/00/64/00/337006400.db2.gz XDMVVTICNBDFMQ-GFCCVEGCSA-N 1 0 324.808 3.639 20 5 DHBDRO CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000193648903 337078897 /nfs/dbraw/zinc/07/88/97/337078897.db2.gz LPIZVXWAQMKTQT-UHFFFAOYSA-N 1 0 300.811 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000177494160 337156290 /nfs/dbraw/zinc/15/62/90/337156290.db2.gz JGRKOYXISLEHAV-UHFFFAOYSA-N 1 0 318.417 3.766 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CN(Cc1cccnc1)C1CC1 ZINC000180737878 337177563 /nfs/dbraw/zinc/17/75/63/337177563.db2.gz PJDSBWOWQSREDR-UHFFFAOYSA-N 1 0 317.776 3.808 20 5 DHBDRO Cc1cnccc1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000583082012 337237224 /nfs/dbraw/zinc/23/72/24/337237224.db2.gz ZYANVPZEVLNLKU-UHFFFAOYSA-N 1 0 311.385 3.505 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000321288133 337255207 /nfs/dbraw/zinc/25/52/07/337255207.db2.gz JSGJNQJLYYHOBW-DLBZAZTESA-N 1 0 312.369 3.639 20 5 DHBDRO Cc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1 ZINC000187379125 337265274 /nfs/dbraw/zinc/26/52/74/337265274.db2.gz VMZZCNCWJHNATH-UHFFFAOYSA-N 1 0 311.385 3.771 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOC1CCCC1 ZINC000125277151 337393726 /nfs/dbraw/zinc/39/37/26/337393726.db2.gz HMXDDYDCLWSFCG-CQSZACIVSA-N 1 0 306.406 3.903 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000536808289 337394801 /nfs/dbraw/zinc/39/48/01/337394801.db2.gz WKHNZVKBAMGGAW-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO COC1(C[C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000429402497 337472557 /nfs/dbraw/zinc/47/25/57/337472557.db2.gz IOEFBRXHBMQYFR-HNNXBMFYSA-N 1 0 320.433 3.855 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000247141035 337557972 /nfs/dbraw/zinc/55/79/72/337557972.db2.gz QXDRXFORPQRICL-RRQGHBQHSA-N 1 0 314.389 3.626 20 5 DHBDRO CCC[C@H]([NH2+]CCCCn1ccnc1)c1cccc([N+](=O)[O-])c1 ZINC000321501617 337631415 /nfs/dbraw/zinc/63/14/15/337631415.db2.gz UYLNCYNMYYSYSG-KRWDZBQOSA-N 1 0 316.405 3.703 20 5 DHBDRO CCC[C@H]([NH2+]CCCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000421853172 337649918 /nfs/dbraw/zinc/64/99/18/337649918.db2.gz IOQFAJYJOLCBDB-INIZCTEOSA-N 1 0 306.406 3.721 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc([N+](=O)[O-])cc1 ZINC000423417421 337716602 /nfs/dbraw/zinc/71/66/02/337716602.db2.gz SJBXGFGBKOVDAG-CYBMUJFWSA-N 1 0 311.385 3.804 20 5 DHBDRO CCOCCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000536832063 337734723 /nfs/dbraw/zinc/73/47/23/337734723.db2.gz KMYKKYUKFWTWRV-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO Cc1cccnc1[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000118840168 337852053 /nfs/dbraw/zinc/85/20/53/337852053.db2.gz ZFBDGRZQMRVTTQ-KRWDZBQOSA-N 1 0 313.401 3.828 20 5 DHBDRO C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000120477507 337876610 /nfs/dbraw/zinc/87/66/10/337876610.db2.gz QANTXMCKICLUHI-CXAGYDPISA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC12CCSCC2 ZINC000516088222 338004253 /nfs/dbraw/zinc/00/42/53/338004253.db2.gz KBPYUFIKRJKQKI-WFASDCNBSA-N 1 0 318.442 3.705 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000516247987 338008688 /nfs/dbraw/zinc/00/86/88/338008688.db2.gz AUIKCUYSSBBJLB-KBPBESRZSA-N 1 0 306.406 3.759 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000428452090 338052422 /nfs/dbraw/zinc/05/24/22/338052422.db2.gz JDEOBPAFFYHDKW-GXFFZTMASA-N 1 0 312.316 3.571 20 5 DHBDRO CC(C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000429232842 338074133 /nfs/dbraw/zinc/07/41/33/338074133.db2.gz CBWFIOXXSJUIOU-UHFFFAOYSA-N 1 0 318.348 3.638 20 5 DHBDRO COc1cc(C[N@H+](C)Cc2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000429304487 338077263 /nfs/dbraw/zinc/07/72/63/338077263.db2.gz YLZOPQDNIBXLPH-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC12CCCC2)C1CC1 ZINC000429422584 338080436 /nfs/dbraw/zinc/08/04/36/338080436.db2.gz HNDGNOZBWZQNHR-RDJZCZTQSA-N 1 0 300.402 3.838 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC12CCCC2)C1CC1 ZINC000429422582 338080473 /nfs/dbraw/zinc/08/04/73/338080473.db2.gz HNDGNOZBWZQNHR-DOTOQJQBSA-N 1 0 300.402 3.838 20 5 DHBDRO COC1(C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000429434589 338080856 /nfs/dbraw/zinc/08/08/56/338080856.db2.gz XQHZOTOZPSQJQQ-NSHDSACASA-N 1 0 312.797 3.686 20 5 DHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000429668019 338087000 /nfs/dbraw/zinc/08/70/00/338087000.db2.gz NIZJLFKIECBTJF-CZUORRHYSA-N 1 0 324.446 3.628 20 5 DHBDRO Cc1ccc(CN2Cc3ccccc3O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430135955 338098549 /nfs/dbraw/zinc/09/85/49/338098549.db2.gz HNCRETZVEAVDBH-CQSZACIVSA-N 1 0 312.369 3.686 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000432797272 338168299 /nfs/dbraw/zinc/16/82/99/338168299.db2.gz LCCGUARSYADVLA-CYBMUJFWSA-N 1 0 304.390 3.758 20 5 DHBDRO CC[NH+](CC)CCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433122592 338182369 /nfs/dbraw/zinc/18/23/69/338182369.db2.gz WFFLLTPAUWUGBY-KRWDZBQOSA-N 1 0 319.449 3.639 20 5 DHBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433156933 338183406 /nfs/dbraw/zinc/18/34/06/338183406.db2.gz DFGLYVLDUVUXRD-HACGYAERSA-N 1 0 318.417 3.864 20 5 DHBDRO Cc1ncsc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163367 338183612 /nfs/dbraw/zinc/18/36/12/338183612.db2.gz BDFFBNUAJIHAFM-AWEZNQCLSA-N 1 0 317.414 3.872 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCCOCC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433169134 338183850 /nfs/dbraw/zinc/18/38/50/338183850.db2.gz VOPDRXVOWHXZRL-QGZVFWFLSA-N 1 0 318.417 3.724 20 5 DHBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433227465 338186591 /nfs/dbraw/zinc/18/65/91/338186591.db2.gz LCCDPCPVQRRVFS-AFAVFJNCSA-N 1 0 318.417 3.722 20 5 DHBDRO C[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000436403101 338270913 /nfs/dbraw/zinc/27/09/13/338270913.db2.gz FZIZHVZGRBONQR-YPMHNXCESA-N 1 0 317.414 3.997 20 5 DHBDRO CC(C)c1ncc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000440475877 338388110 /nfs/dbraw/zinc/38/81/10/338388110.db2.gz FJEVIVYRZVVXRJ-CYBMUJFWSA-N 1 0 314.389 3.701 20 5 DHBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000442811710 338433181 /nfs/dbraw/zinc/43/31/81/338433181.db2.gz PTRJZYDMYMPQKW-ULQDDVLXSA-N 1 0 318.417 3.864 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CCC3CCCCC3)nc2c1 ZINC000446837914 338537774 /nfs/dbraw/zinc/53/77/74/338537774.db2.gz CBIZYTFJRWNLRD-UHFFFAOYSA-N 1 0 302.378 3.531 20 5 DHBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000447597791 338560994 /nfs/dbraw/zinc/56/09/94/338560994.db2.gz GWLUDHUJLCWMJY-ZANVPECISA-N 1 0 302.296 3.760 20 5 DHBDRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059004 338589190 /nfs/dbraw/zinc/58/91/90/338589190.db2.gz NVVKFGWNVDAMMR-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2occc21 ZINC000449077045 338591045 /nfs/dbraw/zinc/59/10/45/338591045.db2.gz QUHWXDYWQDLDKH-DOMZBBRYSA-N 1 0 300.358 3.786 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449104510 338593984 /nfs/dbraw/zinc/59/39/84/338593984.db2.gz FZBNTBUPFGNACP-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO Cc1nc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449119670 338594994 /nfs/dbraw/zinc/59/49/94/338594994.db2.gz AMFRPCXSCUDDCV-GHMZBOCLSA-N 1 0 305.403 3.642 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c1cccc2O ZINC000449134492 338596306 /nfs/dbraw/zinc/59/63/06/338596306.db2.gz JTESZTLCTLIZCC-BLLLJJGKSA-N 1 0 312.369 3.509 20 5 DHBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449243240 338606120 /nfs/dbraw/zinc/60/61/20/338606120.db2.gz JEPUHTYCKAFIJN-CMPLNLGQSA-N 1 0 304.312 3.846 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc2[nH]ccc21 ZINC000449306098 338611422 /nfs/dbraw/zinc/61/14/22/338611422.db2.gz JOWSYLYECTVZCT-CQSZACIVSA-N 1 0 323.396 3.839 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC(F)(F)CC1 ZINC000449307953 338611493 /nfs/dbraw/zinc/61/14/93/338611493.db2.gz SRAQMGODYQIRKV-LBPRGKRZSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449349935 338616335 /nfs/dbraw/zinc/61/63/35/338616335.db2.gz SFISQXFHIBRUPG-RKTXRCNFSA-N 1 0 318.417 3.841 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000449349970 338616355 /nfs/dbraw/zinc/61/63/55/338616355.db2.gz STLZPPIHWNZWDF-KGLIPLIRSA-N 1 0 306.406 3.698 20 5 DHBDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000449401311 338621120 /nfs/dbraw/zinc/62/11/20/338621120.db2.gz GOSFTPDEVVEEQQ-JJRVBVJISA-N 1 0 308.422 3.567 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000449681396 338645980 /nfs/dbraw/zinc/64/59/80/338645980.db2.gz JFFHPOCIQQZPIY-CQSZACIVSA-N 1 0 306.406 3.625 20 5 DHBDRO CC(F)(F)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453230913 338811313 /nfs/dbraw/zinc/81/13/13/338811313.db2.gz INDPKWBEYZMTGY-AWEZNQCLSA-N 1 0 312.360 3.941 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000453390444 338836848 /nfs/dbraw/zinc/83/68/48/338836848.db2.gz XPYMFDVSPVDHKH-CXAGYDPISA-N 1 0 318.417 3.724 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453405747 338839333 /nfs/dbraw/zinc/83/93/33/338839333.db2.gz FFPVNUMRPYHLOF-CZUORRHYSA-N 1 0 306.406 3.841 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000195582089 338909700 /nfs/dbraw/zinc/90/97/00/338909700.db2.gz UFCNRCAEEILVQT-SFHVURJKSA-N 1 0 314.385 3.887 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459407391 339027343 /nfs/dbraw/zinc/02/73/43/339027343.db2.gz MASMHVYDELOJLD-UHFFFAOYSA-N 1 0 312.369 3.771 20 5 DHBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459618789 339038665 /nfs/dbraw/zinc/03/86/65/339038665.db2.gz SZLPAJGPWQTQKP-MEDUHNTESA-N 1 0 302.378 3.530 20 5 DHBDRO CCC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000459815353 339049614 /nfs/dbraw/zinc/04/96/14/339049614.db2.gz YFXIOVJDXMOZBE-ZDUSSCGKSA-N 1 0 302.378 3.530 20 5 DHBDRO Cc1cc(NC2CCC(C[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461946782 339069413 /nfs/dbraw/zinc/06/94/13/339069413.db2.gz HLDNINPBVGSJHH-UHFFFAOYSA-N 1 0 309.385 3.575 20 5 DHBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000463022526 339100837 /nfs/dbraw/zinc/10/08/37/339100837.db2.gz JRCHGEONUWCGNE-APHBMKBZSA-N 1 0 306.406 3.838 20 5 DHBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000463027219 339101257 /nfs/dbraw/zinc/10/12/57/339101257.db2.gz CVHBEXPHEJRIPD-UHOFOFEASA-N 1 0 306.406 3.838 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000464104192 339134559 /nfs/dbraw/zinc/13/45/59/339134559.db2.gz KOWTZWJYLFVMJO-HNNXBMFYSA-N 1 0 310.369 3.753 20 5 DHBDRO COc1cc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000464493032 339143514 /nfs/dbraw/zinc/14/35/14/339143514.db2.gz FMXSIACXOWJMGC-QWRGUYRKSA-N 1 0 310.369 3.657 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000464493066 339143539 /nfs/dbraw/zinc/14/35/39/339143539.db2.gz KLPIYFGVLFORLW-NSHDSACASA-N 1 0 310.369 3.801 20 5 DHBDRO CCC1(CC)C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCS1 ZINC000464577063 339146006 /nfs/dbraw/zinc/14/60/06/339146006.db2.gz RPKMKQNSDPVQAX-UHFFFAOYSA-N 1 0 324.446 3.711 20 5 DHBDRO Cc1cccc(C)c1OCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467832048 339247057 /nfs/dbraw/zinc/24/70/57/339247057.db2.gz NSNVMPIBMDWDHX-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000467834143 339247166 /nfs/dbraw/zinc/24/71/66/339247166.db2.gz PGCJUHZDJJUHQC-KBXCAEBGSA-N 1 0 319.449 3.756 20 5 DHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467834819 339247344 /nfs/dbraw/zinc/24/73/44/339247344.db2.gz MSHSWVVQQGYMDC-FZKCQIBNSA-N 1 0 319.449 3.612 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1F ZINC000467979383 339250347 /nfs/dbraw/zinc/25/03/47/339250347.db2.gz VNRYULAIFSYIOZ-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000467982199 339250437 /nfs/dbraw/zinc/25/04/37/339250437.db2.gz HDTOEACAARETAZ-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CCCCCC1 ZINC000468624880 339267313 /nfs/dbraw/zinc/26/73/13/339267313.db2.gz GVJSLQHYGBTFPK-RVDMUPIBSA-N 1 0 318.417 3.673 20 5 DHBDRO COCCC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCC1 ZINC000468737604 339269592 /nfs/dbraw/zinc/26/95/92/339269592.db2.gz JTCRLLYQDIIWRX-PTNGSMBKSA-N 1 0 318.417 3.795 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000469078514 339279398 /nfs/dbraw/zinc/27/93/98/339279398.db2.gz SOHMBPMVTYFZGJ-WYTCUBLDSA-N 1 0 318.417 3.529 20 5 DHBDRO CO[C@H](C)C[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)C ZINC000470179365 339313112 /nfs/dbraw/zinc/31/31/12/339313112.db2.gz WWGZSBIICQKIMR-KQGZCTBQSA-N 1 0 306.406 3.743 20 5 DHBDRO Cc1c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000470956270 339332875 /nfs/dbraw/zinc/33/28/75/339332875.db2.gz BJKKQINTAZCMGG-ZYHUDNBSSA-N 1 0 302.296 3.676 20 5 DHBDRO CCOC1CC(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000473990361 339396471 /nfs/dbraw/zinc/39/64/71/339396471.db2.gz VBEQPWFAYYZGAC-NTEUORMPSA-N 1 0 318.417 3.793 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000475212316 339441814 /nfs/dbraw/zinc/44/18/14/339441814.db2.gz DDVNFIWYUSQJBY-TZMCWYRMSA-N 1 0 324.371 3.941 20 5 DHBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC(C)CC1 ZINC000475437083 339451458 /nfs/dbraw/zinc/45/14/58/339451458.db2.gz HQVTVVYLXPQVIJ-UHFFFAOYSA-N 1 0 306.406 3.588 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCc1ccccc1F ZINC000475558979 339455072 /nfs/dbraw/zinc/45/50/72/339455072.db2.gz MMEJGTLHRJRYRU-POHAHGRESA-N 1 0 314.360 3.970 20 5 DHBDRO C[NH+](C)Cc1ccc(NCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000475566318 339455559 /nfs/dbraw/zinc/45/55/59/339455559.db2.gz YXPXKGZXZQIUMZ-UHFFFAOYSA-N 1 0 319.792 3.922 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000477743202 339500295 /nfs/dbraw/zinc/50/02/95/339500295.db2.gz IKCXCTPOGJVNLN-MRXNPFEDSA-N 1 0 300.333 3.819 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)c2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000478498339 339516587 /nfs/dbraw/zinc/51/65/87/339516587.db2.gz FWSCWVNQDJCITP-CQSZACIVSA-N 1 0 313.401 3.820 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000484138204 339681728 /nfs/dbraw/zinc/68/17/28/339681728.db2.gz OLWFVEIMMMAPDP-YOEHRIQHSA-N 1 0 308.422 3.741 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000487928267 339766082 /nfs/dbraw/zinc/76/60/82/339766082.db2.gz IKLYVSMQIQCGSL-GFCCVEGCSA-N 1 0 320.776 3.978 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000488431066 339781687 /nfs/dbraw/zinc/78/16/87/339781687.db2.gz KIDMOPAISYBWTD-DOMZBBRYSA-N 1 0 324.446 3.613 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000502596143 340108828 /nfs/dbraw/zinc/10/88/28/340108828.db2.gz OWLZMMAHOCRSRD-MPKXVKKWSA-N 1 0 314.332 3.796 20 5 DHBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000505636360 340173797 /nfs/dbraw/zinc/17/37/97/340173797.db2.gz QHMGAULMDNFCHT-VMPITWQZSA-N 1 0 300.333 3.879 20 5 DHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507000971 340205147 /nfs/dbraw/zinc/20/51/47/340205147.db2.gz GTVOXVNNVQAJCC-PBHICJAKSA-N 1 0 311.385 3.842 20 5 DHBDRO CCCC[C@@H](CC)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000509604103 340274432 /nfs/dbraw/zinc/27/44/32/340274432.db2.gz UOSMNEVNRHKMAT-GFCCVEGCSA-N 1 0 310.394 3.615 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000511061673 340319721 /nfs/dbraw/zinc/31/97/21/340319721.db2.gz YPMAJVZGMBYRLU-UHFFFAOYSA-N 1 0 304.777 3.923 20 5 DHBDRO C[C@@H](c1cccc(F)c1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511061762 340319827 /nfs/dbraw/zinc/31/98/27/340319827.db2.gz BGZXRBRKWOPGAF-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccc(F)cc21 ZINC000511103683 340320737 /nfs/dbraw/zinc/32/07/37/340320737.db2.gz DMGUORPUCFPSJO-GOSISDBHSA-N 1 0 314.360 3.896 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccc(F)cc21 ZINC000511103686 340320764 /nfs/dbraw/zinc/32/07/64/340320764.db2.gz DMGUORPUCFPSJO-SFHVURJKSA-N 1 0 314.360 3.896 20 5 DHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000511724288 340336313 /nfs/dbraw/zinc/33/63/13/340336313.db2.gz VDOYGVMHOUQJNL-XQQFMLRXSA-N 1 0 309.385 3.512 20 5 DHBDRO Cc1c(C[NH2+]C/C=C\c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000511763056 340337538 /nfs/dbraw/zinc/33/75/38/340337538.db2.gz PPIHDQXZDCXINR-ARJAWSKDSA-N 1 0 318.323 3.984 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C\c2ccc(F)c(F)c2)cc1 ZINC000512024049 340345813 /nfs/dbraw/zinc/34/58/13/340345813.db2.gz LVYIEINBHMYPID-UPHRSURJSA-N 1 0 318.323 3.719 20 5 DHBDRO COCCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000512259741 340354447 /nfs/dbraw/zinc/35/44/47/340354447.db2.gz KWEQBGGYOZRFQR-UHFFFAOYSA-N 1 0 320.414 3.792 20 5 DHBDRO CCOc1ccccc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000512744381 340375476 /nfs/dbraw/zinc/37/54/76/340375476.db2.gz LOKUOTFLNQXUFV-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO Cc1ccc(C[NH2+]CC2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000512968192 340386059 /nfs/dbraw/zinc/38/60/59/340386059.db2.gz VRUOCDRCIUGFFJ-UHFFFAOYSA-N 1 0 302.296 3.725 20 5 DHBDRO COc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178653852 340451375 /nfs/dbraw/zinc/45/13/75/340451375.db2.gz KMPDDBGXORFTPS-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000237192524 340668786 /nfs/dbraw/zinc/66/87/86/340668786.db2.gz YGUKZAIIHQFHMP-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1cccc(OCC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000237713534 340673366 /nfs/dbraw/zinc/67/33/66/340673366.db2.gz ZLOLDCCALORWHN-UHFFFAOYSA-N 1 0 320.776 3.725 20 5 DHBDRO CC[C@@H]([NH2+]CCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000322719793 340705984 /nfs/dbraw/zinc/70/59/84/340705984.db2.gz RXYNQADFEFCQQC-GOSISDBHSA-N 1 0 314.385 3.887 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(OC(C)C)CC1 ZINC000530341998 340788686 /nfs/dbraw/zinc/78/86/86/340788686.db2.gz WTFMMDMFJQPWIY-RVDMUPIBSA-N 1 0 318.417 3.888 20 5 DHBDRO C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000124674491 340800409 /nfs/dbraw/zinc/80/04/09/340800409.db2.gz ILOSYRJNJLFHIY-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCOc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000537989339 340806020 /nfs/dbraw/zinc/80/60/20/340806020.db2.gz BBJGRPDKLAZMLF-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCC2 ZINC000537991862 340806115 /nfs/dbraw/zinc/80/61/15/340806115.db2.gz QWOZREDYBKPBOY-LLVKDONJSA-N 1 0 302.399 3.996 20 5 DHBDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000538445159 340824050 /nfs/dbraw/zinc/82/40/50/340824050.db2.gz GXTZSNCKGNKSJG-SJKOYZFVSA-N 1 0 318.348 3.600 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCOC2CCCCC2)cccc1[N+](=O)[O-] ZINC000540171810 340920244 /nfs/dbraw/zinc/92/02/44/340920244.db2.gz AZRVPJSKLSNQOQ-AWEZNQCLSA-N 1 0 306.406 3.903 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000564253464 340999607 /nfs/dbraw/zinc/99/96/07/340999607.db2.gz ZVRNFOYNWKLZGV-LBPRGKRZSA-N 1 0 313.357 3.871 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CSc2ccccc21 ZINC000542707208 341018468 /nfs/dbraw/zinc/01/84/68/341018468.db2.gz VMAOQXGARRYELL-HNNXBMFYSA-N 1 0 300.383 3.840 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000130384176 341020443 /nfs/dbraw/zinc/02/04/43/341020443.db2.gz BNSUQRPYQORUMC-MLGOLLRUSA-N 1 0 312.369 3.947 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCc1ccccc1O ZINC000543249357 341038333 /nfs/dbraw/zinc/03/83/33/341038333.db2.gz QQRZWKPHMKPXQB-AWEZNQCLSA-N 1 0 314.385 3.844 20 5 DHBDRO CCc1ccc([C@H]([NH2+]CC2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543409143 341042759 /nfs/dbraw/zinc/04/27/59/341042759.db2.gz IECNPYDAVJUIBQ-QGZVFWFLSA-N 1 0 300.358 3.839 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000543416141 341043193 /nfs/dbraw/zinc/04/31/93/341043193.db2.gz JYCSOYSBIVAUIA-HOTGVXAUSA-N 1 0 319.449 3.818 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000130989548 341055724 /nfs/dbraw/zinc/05/57/24/341055724.db2.gz FQQSYOPEULHBMI-GUYCJALGSA-N 1 0 305.422 3.508 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000544611517 341088965 /nfs/dbraw/zinc/08/89/65/341088965.db2.gz FUYPFYBOVJYNKS-JKSUJKDBSA-N 1 0 306.431 3.763 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000544896262 341098142 /nfs/dbraw/zinc/09/81/42/341098142.db2.gz SHOGRMFCBHUFMT-OAHLLOKOSA-N 1 0 319.449 3.676 20 5 DHBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000132093387 341116202 /nfs/dbraw/zinc/11/62/02/341116202.db2.gz MMKGZXPGKDGBNU-LBPRGKRZSA-N 1 0 318.398 3.544 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000135167661 341232662 /nfs/dbraw/zinc/23/26/62/341232662.db2.gz QUTHJUAWYAMISC-KRWDZBQOSA-N 1 0 300.333 3.554 20 5 DHBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000136287845 341256247 /nfs/dbraw/zinc/25/62/47/341256247.db2.gz QYAGZOQKGFXDSI-CYBMUJFWSA-N 1 0 302.349 3.670 20 5 DHBDRO Cc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000548990741 341283000 /nfs/dbraw/zinc/28/30/00/341283000.db2.gz IHLAFVCIIPHYSF-QDMKHBRRSA-N 1 0 306.406 3.587 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc(C(F)(F)F)c1 ZINC000549038660 341284221 /nfs/dbraw/zinc/28/42/21/341284221.db2.gz PVGZQMCUCGUNCE-GDLCADMTSA-N 1 0 314.307 3.892 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000549236714 341289299 /nfs/dbraw/zinc/28/92/99/341289299.db2.gz FLWZCBFKUYCJBO-LXTVHRRPSA-N 1 0 306.406 3.839 20 5 DHBDRO CCOc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549810204 341303778 /nfs/dbraw/zinc/30/37/78/341303778.db2.gz OJYOORUJEAAWKQ-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000247143061 341361420 /nfs/dbraw/zinc/36/14/20/341361420.db2.gz QYGJVKXJNPAMCC-WNRNVDISSA-N 1 0 318.417 3.983 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000249874256 341401694 /nfs/dbraw/zinc/40/16/94/341401694.db2.gz GPKFPLIIZILPFT-JQFCIGGWSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@H](Cc1cccc(O)c1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000553421949 341428438 /nfs/dbraw/zinc/42/84/38/341428438.db2.gz MYTMUJPLRPJMPY-BMWLXYDHSA-N 1 0 312.369 3.534 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC1(F)CCC1)C1CC1 ZINC000554086859 341443298 /nfs/dbraw/zinc/44/32/98/341443298.db2.gz REWWBKBXZDYVLW-HNNXBMFYSA-N 1 0 306.381 3.788 20 5 DHBDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000554721569 341462102 /nfs/dbraw/zinc/46/21/02/341462102.db2.gz CYNVRMYUKODVMH-PXWYNKGWSA-N 1 0 310.353 3.720 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)o1 ZINC000555643602 341487942 /nfs/dbraw/zinc/48/79/42/341487942.db2.gz WCYRBPLHXKVIHG-UONOGXRCSA-N 1 0 304.321 3.835 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000556099817 341494257 /nfs/dbraw/zinc/49/42/57/341494257.db2.gz ZNOATASAZPTJQW-WMLDXEAASA-N 1 0 319.449 3.674 20 5 DHBDRO CC(C)[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000565272553 341522121 /nfs/dbraw/zinc/52/21/21/341522121.db2.gz YGVQDKWFNBXKBI-QGZVFWFLSA-N 1 0 301.390 3.643 20 5 DHBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000565746027 341536812 /nfs/dbraw/zinc/53/68/12/341536812.db2.gz QYRBJTYONBMRBQ-NEPJUHHUSA-N 1 0 320.414 3.836 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000568891459 341684578 /nfs/dbraw/zinc/68/45/78/341684578.db2.gz GNOLIFCZCYGDMY-RHSMWYFYSA-N 1 0 320.433 3.743 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1COc2ccccc2C1 ZINC000164320202 341704912 /nfs/dbraw/zinc/70/49/12/341704912.db2.gz KTQJTCDDJWNLFP-HIFRSBDPSA-N 1 0 312.369 3.558 20 5 DHBDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000164631713 341706504 /nfs/dbraw/zinc/70/65/04/341706504.db2.gz GQXSSGXKDFWALK-AWEZNQCLSA-N 1 0 316.405 3.539 20 5 DHBDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000575762315 341803222 /nfs/dbraw/zinc/80/32/22/341803222.db2.gz PRIAVSKJQBVZBN-OWQGQXMQSA-N 1 0 318.417 3.623 20 5 DHBDRO CCOc1cc(NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000336851735 341807862 /nfs/dbraw/zinc/80/78/62/341807862.db2.gz BEEXTSFKHYIQAR-UHFFFAOYSA-N 1 0 309.410 3.524 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCCC1(F)F ZINC000577077559 341883966 /nfs/dbraw/zinc/88/39/66/341883966.db2.gz QMDGUIXTWAVRLU-FZMZJTMJSA-N 1 0 310.344 3.997 20 5 DHBDRO CCCO[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266721540 520287451 /nfs/dbraw/zinc/28/74/51/520287451.db2.gz HOPOAESAKZLUNN-GJZGRUSLSA-N 1 0 306.406 3.937 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000266157089 520668311 /nfs/dbraw/zinc/66/83/11/520668311.db2.gz MIWDYIQTKYWOEF-CFVMTHIKSA-N 1 0 324.808 3.541 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](C)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000156772684 520788799 /nfs/dbraw/zinc/78/87/99/520788799.db2.gz HDFJJLSGAGZDBJ-RRQGHBQHSA-N 1 0 306.406 3.983 20 5 DHBDRO CC1CC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000266963958 520906911 /nfs/dbraw/zinc/90/69/11/520906911.db2.gz LJYUFERYQGTXGJ-UHFFFAOYSA-N 1 0 303.387 3.606 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000156877643 522359283 /nfs/dbraw/zinc/35/92/83/522359283.db2.gz BJYAEJBTQMADEJ-GFCCVEGCSA-N 1 0 316.357 3.502 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000157680020 522862894 /nfs/dbraw/zinc/86/28/94/522862894.db2.gz WODISNFGBDWEFN-SJORKVTESA-N 1 0 318.348 3.508 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000126608601 525916164 /nfs/dbraw/zinc/91/61/64/525916164.db2.gz LWIFSGGVGPZRNY-HNSVSWJLSA-N 1 0 317.433 3.569 20 5 DHBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000130689637 525975714 /nfs/dbraw/zinc/97/57/14/525975714.db2.gz ALXBZHWSNQNHHM-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(C)(F)F)cc1[N+](=O)[O-] ZINC000297350330 535411839 /nfs/dbraw/zinc/41/18/39/535411839.db2.gz PBULCQVUYDVFCN-SNVBAGLBSA-N 1 0 302.321 3.689 20 5 DHBDRO COCC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272452026 536808423 /nfs/dbraw/zinc/80/84/23/536808423.db2.gz MQGYFQGHUXFQEP-SWLSCSKDSA-N 1 0 304.346 3.616 20 5 DHBDRO CCC[C@H]([NH2+]C[C@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336868337 1013054179 /nfs/dbraw/zinc/05/41/79/1013054179.db2.gz WLKLSHXVYOMDOP-IRXDYDNUSA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(Cl)c1 ZINC000517736056 1013054679 /nfs/dbraw/zinc/05/46/79/1013054679.db2.gz FPRJVBYVXZNZBD-CZUORRHYSA-N 1 0 324.808 3.639 20 5 DHBDRO COc1ccc(C2([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000517757188 1013060737 /nfs/dbraw/zinc/06/07/37/1013060737.db2.gz OJAUYLWNWZEIRT-QGZVFWFLSA-N 1 0 324.380 3.870 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCC34CCCC4)c2c1 ZINC000561787326 1032073229 /nfs/dbraw/zinc/07/32/29/1032073229.db2.gz YVKNQYRUZAZWGE-KRWDZBQOSA-N 1 0 313.401 3.931 20 5 DHBDRO COCC1(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000894614947 1013433334 /nfs/dbraw/zinc/43/33/34/1013433334.db2.gz CKYPIPGRCPMJRP-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000348638186 1013835391 /nfs/dbraw/zinc/83/53/91/1013835391.db2.gz DZVCXPWDRGHDIC-BLLLJJGKSA-N 1 0 315.373 3.800 20 5 DHBDRO CO[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000447559860 1014083405 /nfs/dbraw/zinc/08/34/05/1014083405.db2.gz BIKFYUFYSBWSNI-HOTGVXAUSA-N 1 0 306.406 3.623 20 5 DHBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000441487047 1014243058 /nfs/dbraw/zinc/24/30/58/1014243058.db2.gz OFCCKKHOHMFSIF-QLFBSQMISA-N 1 0 304.390 3.627 20 5 DHBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC(C)(C)C1 ZINC000580743293 1014326744 /nfs/dbraw/zinc/32/67/44/1014326744.db2.gz NQNADHZHEJFZGB-OAHLLOKOSA-N 1 0 306.406 3.683 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442879367 1014759367 /nfs/dbraw/zinc/75/93/67/1014759367.db2.gz JBTCJLONGHNAFC-ZDUSSCGKSA-N 1 0 306.406 3.854 20 5 DHBDRO C[C@H]([NH2+]CC1(CCO)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000165678715 1014813107 /nfs/dbraw/zinc/81/31/07/1014813107.db2.gz GPVDVLFZXAFFRA-AWEZNQCLSA-N 1 0 306.406 3.578 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3C3CCC3)nc2c1 ZINC000610581333 1014861422 /nfs/dbraw/zinc/86/14/22/1014861422.db2.gz AOAOEWZVJDKQPT-AWEZNQCLSA-N 1 0 301.346 3.501 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(F)c(Cl)c2)cc1 ZINC000053156182 1014914127 /nfs/dbraw/zinc/91/41/27/1014914127.db2.gz FLYOAPBUOXKQAS-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC(F)(F)CC1 ZINC001173214599 1033616669 /nfs/dbraw/zinc/61/66/69/1033616669.db2.gz PSRSCGVIVBILMB-GFCCVEGCSA-N 1 0 312.360 3.941 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895585930 1015213430 /nfs/dbraw/zinc/21/34/30/1015213430.db2.gz ZVWWJOBIELDJAY-ZDUSSCGKSA-N 1 0 317.414 3.658 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC2(CCCCO2)CC1 ZINC000895659123 1015246425 /nfs/dbraw/zinc/24/64/25/1015246425.db2.gz SQPSMXPIZPSGNA-FNORWQNLSA-N 1 0 316.401 3.643 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000051212248 1015304072 /nfs/dbraw/zinc/30/40/72/1015304072.db2.gz DOJKUMJZRCABGX-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000895833314 1015325837 /nfs/dbraw/zinc/32/58/37/1015325837.db2.gz MQRXGPOTYVLNKB-UHFFFAOYSA-N 1 0 316.405 3.587 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000051231146 1015345450 /nfs/dbraw/zinc/34/54/50/1015345450.db2.gz BZGUSRRYMRKXDN-AWEZNQCLSA-N 1 0 318.398 3.872 20 5 DHBDRO Cc1ccc([C@H](C)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000320205043 1015391495 /nfs/dbraw/zinc/39/14/95/1015391495.db2.gz SCOHWESBDNQTAX-HNNXBMFYSA-N 1 0 319.449 3.818 20 5 DHBDRO CC[C@H](C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000151692086 1015404030 /nfs/dbraw/zinc/40/40/30/1015404030.db2.gz FIDCHDICGOCJJP-WBVHZDCISA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1ccc(CCC[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000474938111 1015718956 /nfs/dbraw/zinc/71/89/56/1015718956.db2.gz FROKVPMDGNLVTJ-UHFFFAOYSA-N 1 0 313.401 3.756 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)C1CCCCC1)C1CC1 ZINC000474969259 1015733921 /nfs/dbraw/zinc/73/39/21/1015733921.db2.gz BKHWICXEQBRWEC-SFHVURJKSA-N 1 0 318.417 3.500 20 5 DHBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000276919234 1015746853 /nfs/dbraw/zinc/74/68/53/1015746853.db2.gz OWUHDTFZFBJLET-LBPRGKRZSA-N 1 0 316.357 3.550 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc3[nH]cnc3c2)C2CC2)c1 ZINC000535785933 1015823972 /nfs/dbraw/zinc/82/39/72/1015823972.db2.gz YYWYSMWGYYOASU-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000539037141 1016221920 /nfs/dbraw/zinc/22/19/20/1016221920.db2.gz JFXRLSFPJGWQRZ-GRDNDAEWSA-N 1 0 306.406 3.757 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC(F)(F)C2)o1 ZINC000277374207 1016252195 /nfs/dbraw/zinc/25/21/95/1016252195.db2.gz BXNFDVRFYHOUGY-UHFFFAOYSA-N 1 0 308.284 3.742 20 5 DHBDRO Cc1c([C@H](C)NCc2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000089512020 1032144889 /nfs/dbraw/zinc/14/48/89/1032144889.db2.gz UEFQWNHVHIJCHK-LBPRGKRZSA-N 1 0 315.329 3.662 20 5 DHBDRO CCOc1cc(C[N@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000492420190 1016356627 /nfs/dbraw/zinc/35/66/27/1016356627.db2.gz XQTQWRXANQKCNK-UHFFFAOYSA-N 1 0 318.348 3.765 20 5 DHBDRO C[C@H](Nc1sccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611583556 1016511800 /nfs/dbraw/zinc/51/18/00/1016511800.db2.gz NYBOUXLFJQEEIB-NWDGAFQWSA-N 1 0 309.435 3.721 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000349707079 1016582032 /nfs/dbraw/zinc/58/20/32/1016582032.db2.gz MZEVJNLNXCGNIX-TZMCWYRMSA-N 1 0 322.405 3.623 20 5 DHBDRO CC(C)CCn1cccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000533921160 1032149530 /nfs/dbraw/zinc/14/95/30/1032149530.db2.gz KNCVDIYXMWYJQG-UHFFFAOYSA-N 1 0 315.417 3.775 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000248632031 1016740766 /nfs/dbraw/zinc/74/07/66/1016740766.db2.gz RKPQQCPDRJNGHC-BXUZGUMPSA-N 1 0 308.353 3.507 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)C2CCCCC2)C2CC2)c1 ZINC000475054968 1016761076 /nfs/dbraw/zinc/76/10/76/1016761076.db2.gz QHPGIKPLCHFGKO-SFHVURJKSA-N 1 0 318.417 3.500 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1Cl ZINC000897074233 1017022811 /nfs/dbraw/zinc/02/28/11/1017022811.db2.gz AUSWQASTYKYAJI-AWEZNQCLSA-N 1 0 317.776 3.810 20 5 DHBDRO C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc2ccccc2n1 ZINC000089512112 1032157546 /nfs/dbraw/zinc/15/75/46/1032157546.db2.gz WUBWJNIGDHVGRB-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000772981444 1032312305 /nfs/dbraw/zinc/31/23/05/1032312305.db2.gz PKUBUNDGMMGKNT-SFHVURJKSA-N 1 0 312.369 3.559 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000340106997 1017096837 /nfs/dbraw/zinc/09/68/37/1017096837.db2.gz WKTJWPHCTHSPKD-SUZKBHRPSA-N 1 0 309.369 3.744 20 5 DHBDRO CC[C@H](C)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773028766 1032532536 /nfs/dbraw/zinc/53/25/36/1032532536.db2.gz UNUAQQKSNGQKQP-GJZGRUSLSA-N 1 0 319.449 3.978 20 5 DHBDRO COc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192610141 1032578540 /nfs/dbraw/zinc/57/85/40/1032578540.db2.gz PYLVSISPRHVZMU-SFHVURJKSA-N 1 0 312.369 3.771 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000034996516 1011955779 /nfs/dbraw/zinc/95/57/79/1011955779.db2.gz FGDINAUNKZBULW-CQSZACIVSA-N 1 0 300.383 3.922 20 5 DHBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000064029479 1012260242 /nfs/dbraw/zinc/26/02/42/1012260242.db2.gz WCRZVACMSXYQJK-AWEZNQCLSA-N 1 0 317.414 3.733 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccc(C)cc1 ZINC000430200118 1012321894 /nfs/dbraw/zinc/32/18/94/1012321894.db2.gz FPHLWBDUSPOKJS-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)c1cccs1 ZINC000430200975 1012328047 /nfs/dbraw/zinc/32/80/47/1012328047.db2.gz IPBYUJKRIJPWCA-LLVKDONJSA-N 1 0 306.387 3.858 20 5 DHBDRO CC[C@H]([NH2+]CC1(CCOC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000123088202 1032636459 /nfs/dbraw/zinc/63/64/59/1032636459.db2.gz PFBCKXFAIQHTFH-INIZCTEOSA-N 1 0 306.406 3.842 20 5 DHBDRO COc1ccc(Cl)cc1CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000015107272 1012579976 /nfs/dbraw/zinc/57/99/76/1012579976.db2.gz SFDYPQYUESCFJS-UHFFFAOYSA-N 1 0 320.776 3.889 20 5 DHBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000516992008 1012881711 /nfs/dbraw/zinc/88/17/11/1012881711.db2.gz FGTOGCGEOYSIGQ-ZDUSSCGKSA-N 1 0 321.421 3.720 20 5 DHBDRO COc1ccc(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178648674 1017387731 /nfs/dbraw/zinc/38/77/31/1017387731.db2.gz OEBQCARQJNTDMF-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000024208157 1017555115 /nfs/dbraw/zinc/55/51/15/1017555115.db2.gz RAYLXWLSHGEJDL-UHFFFAOYSA-N 1 0 311.813 3.557 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](C3CC3)C3CCCC3)nc2c1 ZINC000083168391 1017607079 /nfs/dbraw/zinc/60/70/79/1017607079.db2.gz JTDSBYDSIWQTGK-UHFFFAOYSA-N 1 0 301.346 3.643 20 5 DHBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444651430 1017607761 /nfs/dbraw/zinc/60/77/61/1017607761.db2.gz VFZOYRLTQVVBCV-BLLLJJGKSA-N 1 0 316.405 3.872 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000444659756 1017610706 /nfs/dbraw/zinc/61/07/06/1017610706.db2.gz DZJNWBHZEZGSAZ-RISCZKNCSA-N 1 0 310.369 3.753 20 5 DHBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677767 1017623826 /nfs/dbraw/zinc/62/38/26/1017623826.db2.gz UWJGQWICKBFLMV-TZMCWYRMSA-N 1 0 316.405 3.920 20 5 DHBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1(c2ccccc2)CC1 ZINC000444683136 1017628696 /nfs/dbraw/zinc/62/86/96/1017628696.db2.gz DDCYEHRDXCZXHB-UHFFFAOYSA-N 1 0 310.397 3.801 20 5 DHBDRO COCc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000268767736 1017724173 /nfs/dbraw/zinc/72/41/73/1017724173.db2.gz JYIYPYNKXZNUIE-ZDUSSCGKSA-N 1 0 300.358 3.592 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(N2C(C)(C)CC([NH3+])CC2(C)C)c1F ZINC001167626527 1017727493 /nfs/dbraw/zinc/72/74/93/1017727493.db2.gz MENHGXBPQVSOPZ-UHFFFAOYSA-N 1 0 309.385 3.527 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000186724996 1017875328 /nfs/dbraw/zinc/87/53/28/1017875328.db2.gz VZCLJBMBVSYZOE-JQWIXIFHSA-N 1 0 305.403 3.814 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000524425723 1017992681 /nfs/dbraw/zinc/99/26/81/1017992681.db2.gz BVBHQURVZXBBKX-LJQANCHMSA-N 1 0 310.397 3.844 20 5 DHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000445902044 1018005111 /nfs/dbraw/zinc/00/51/11/1018005111.db2.gz BKTKGKKZDJIMLK-ZDUSSCGKSA-N 1 0 304.312 3.704 20 5 DHBDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000173232058 1018146501 /nfs/dbraw/zinc/14/65/01/1018146501.db2.gz GUTWWOVCKDAEHG-KZULUSFZSA-N 1 0 312.369 3.942 20 5 DHBDRO CC(=Cc1ccccc1)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446833714 1018263878 /nfs/dbraw/zinc/26/38/78/1018263878.db2.gz DTULXQKZBIJEJR-UKTHLTGXSA-N 1 0 322.368 3.664 20 5 DHBDRO CC(C)CC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764503660 1018300129 /nfs/dbraw/zinc/30/01/29/1018300129.db2.gz NYLPIYSJFGMIMN-HNNXBMFYSA-N 1 0 319.449 3.978 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](CCC(C)(C)C)CC1 ZINC000441220153 1018349883 /nfs/dbraw/zinc/34/98/83/1018349883.db2.gz SKPXIDOUOADJCQ-HNNXBMFYSA-N 1 0 319.449 3.710 20 5 DHBDRO C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000248330576 1018354168 /nfs/dbraw/zinc/35/41/68/1018354168.db2.gz DOTXXPSPLSLDJE-OLZOCXBDSA-N 1 0 315.373 3.523 20 5 DHBDRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572984993 1018600660 /nfs/dbraw/zinc/60/06/60/1018600660.db2.gz UTWLJFHLCPJBKU-WBMJQRKESA-N 1 0 300.358 3.786 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000765263578 1018735353 /nfs/dbraw/zinc/73/53/53/1018735353.db2.gz PVDKVBMWOSYODR-BZNIZROVSA-N 1 0 320.776 3.632 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000427984355 1018863296 /nfs/dbraw/zinc/86/32/96/1018863296.db2.gz MPVYORPVPWHPOJ-HZPDHXFCSA-N 1 0 306.406 3.983 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000584111192 1018962082 /nfs/dbraw/zinc/96/20/82/1018962082.db2.gz QDGZNRBFIAXHBT-CYBMUJFWSA-N 1 0 317.776 3.633 20 5 DHBDRO Cc1nc(C)c(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000278644116 1018981150 /nfs/dbraw/zinc/98/11/50/1018981150.db2.gz HSPNOBZAUKWSTE-HNNXBMFYSA-N 1 0 317.414 3.835 20 5 DHBDRO CC(C)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312211 1019265339 /nfs/dbraw/zinc/26/53/39/1019265339.db2.gz XMSAOYOBYBBYEX-UHFFFAOYSA-N 1 0 305.403 3.854 20 5 DHBDRO CC[C@@](C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000255069167 1019267720 /nfs/dbraw/zinc/26/77/20/1019267720.db2.gz JUKIUEDSRYFKFX-QKIRZYONSA-N 1 0 317.414 3.980 20 5 DHBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc(F)c(F)c(F)c1 ZINC000540829739 1019379276 /nfs/dbraw/zinc/37/92/76/1019379276.db2.gz RGVKRPCKAVOWFC-UHFFFAOYSA-N 1 0 324.302 3.687 20 5 DHBDRO Cc1c(C[NH+]2CC(Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000611172948 1019408598 /nfs/dbraw/zinc/40/85/98/1019408598.db2.gz OWMUHFOHTBMMCM-UHFFFAOYSA-N 1 0 314.360 3.717 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000611268105 1019428570 /nfs/dbraw/zinc/42/85/70/1019428570.db2.gz LQGCKBMXWMBEJP-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO Cc1cccc(NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000338646168 1019448468 /nfs/dbraw/zinc/44/84/68/1019448468.db2.gz YQGXYZMUKDNSPH-CQSZACIVSA-N 1 0 305.403 3.680 20 5 DHBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000611370572 1019455570 /nfs/dbraw/zinc/45/55/70/1019455570.db2.gz ZNNQSMQLFUCNEU-AWEZNQCLSA-N 1 0 323.462 3.605 20 5 DHBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000611370573 1019457302 /nfs/dbraw/zinc/45/73/02/1019457302.db2.gz ZNNQSMQLFUCNEU-CQSZACIVSA-N 1 0 323.462 3.605 20 5 DHBDRO C[N@H+](CCCNc1sccc1[N+](=O)[O-])Cc1ccccc1 ZINC000611411409 1019474109 /nfs/dbraw/zinc/47/41/09/1019474109.db2.gz TYIGNQUGOZVPHW-UHFFFAOYSA-N 1 0 305.403 3.590 20 5 DHBDRO C[C@@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000611413472 1019476892 /nfs/dbraw/zinc/47/68/92/1019476892.db2.gz WHVYFBGQGJMMNY-TZMCWYRMSA-N 1 0 317.414 3.731 20 5 DHBDRO Cc1ccc(CCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)c1 ZINC000611426384 1019482600 /nfs/dbraw/zinc/48/26/00/1019482600.db2.gz RBHJKMCRCYRSAZ-UHFFFAOYSA-N 1 0 304.415 3.996 20 5 DHBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)C ZINC000114474317 1019512471 /nfs/dbraw/zinc/51/24/71/1019512471.db2.gz BHIYXCIJHILPPD-GFCCVEGCSA-N 1 0 317.389 3.817 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000255831119 1019605891 /nfs/dbraw/zinc/60/58/91/1019605891.db2.gz NLWRKZBQAGOLPL-POZKEBTKSA-N 1 0 323.396 3.794 20 5 DHBDRO CCc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000347602168 1019762027 /nfs/dbraw/zinc/76/20/27/1019762027.db2.gz CEXQCCVOYQNZCU-UHFFFAOYSA-N 1 0 313.401 3.963 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000179137084 1019765286 /nfs/dbraw/zinc/76/52/86/1019765286.db2.gz BBLIIOHCMAWRRN-HOCLYGCPSA-N 1 0 300.358 3.689 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000765767597 1019782138 /nfs/dbraw/zinc/78/21/38/1019782138.db2.gz LHKFZFWUKKUAOG-QGZVFWFLSA-N 1 0 312.369 3.689 20 5 DHBDRO Cc1csc([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000727837084 1019816412 /nfs/dbraw/zinc/81/64/12/1019816412.db2.gz IIYPLCOSLPSCBU-SMYYYNMVSA-N 1 0 303.387 3.724 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC001171752668 1032857504 /nfs/dbraw/zinc/85/75/04/1032857504.db2.gz VZAXOYPTLWYJSM-OAHLLOKOSA-N 1 0 304.390 3.628 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000318185970 1020032286 /nfs/dbraw/zinc/03/22/86/1020032286.db2.gz PXYUYGBIUPVRCT-INIZCTEOSA-N 1 0 300.333 3.819 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000092275431 1020080917 /nfs/dbraw/zinc/08/09/17/1020080917.db2.gz OPJPHHYCFCNFBS-ZDUSSCGKSA-N 1 0 300.383 3.574 20 5 DHBDRO CSCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000093509502 1020156835 /nfs/dbraw/zinc/15/68/35/1020156835.db2.gz PMZWQRPLEWXVEJ-UHFFFAOYSA-N 1 0 306.387 3.650 20 5 DHBDRO C[C@@H](CCOCc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000389958342 1020165399 /nfs/dbraw/zinc/16/53/99/1020165399.db2.gz FZVKHECCHRGCQP-HNNXBMFYSA-N 1 0 314.385 3.680 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000603859213 1020204794 /nfs/dbraw/zinc/20/47/94/1020204794.db2.gz TTZYNCNMSOSXQD-UHFFFAOYSA-N 1 0 300.333 3.899 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922691685 1020215760 /nfs/dbraw/zinc/21/57/60/1020215760.db2.gz FFTDBROMNKJTRO-LNLBINEFSA-N 1 0 316.401 3.547 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922729810 1020242894 /nfs/dbraw/zinc/24/28/94/1020242894.db2.gz GYYOJXYXKIYTST-YOYBWIONSA-N 1 0 314.307 3.786 20 5 DHBDRO CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000155632378 1020254936 /nfs/dbraw/zinc/25/49/36/1020254936.db2.gz RQKOKSYHYCDQTE-HNNXBMFYSA-N 1 0 322.405 3.757 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000922837287 1020295338 /nfs/dbraw/zinc/29/53/38/1020295338.db2.gz SAHBSOHGDHHOKC-BXKDBHETSA-N 1 0 300.811 3.622 20 5 DHBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000766002974 1020320520 /nfs/dbraw/zinc/32/05/20/1020320520.db2.gz MHDXQMDBDPTJOX-AWEZNQCLSA-N 1 0 317.433 3.732 20 5 DHBDRO CCCC[NH+]1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122965370 1020334501 /nfs/dbraw/zinc/33/45/01/1020334501.db2.gz DJEBNMJBGKWEMX-AWEZNQCLSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1cc(NCCCC(C)(C)CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302150134 1020416577 /nfs/dbraw/zinc/41/65/77/1020416577.db2.gz HMMPBFIUTOEDCO-UHFFFAOYSA-N 1 0 317.389 3.662 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926950914 1032900836 /nfs/dbraw/zinc/90/08/36/1032900836.db2.gz WPVGCUCYPQZGCK-OUJBWJOFSA-N 1 0 302.296 3.752 20 5 DHBDRO CCOc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000298706269 1020457393 /nfs/dbraw/zinc/45/73/93/1020457393.db2.gz RKUAKSHHHXEWCO-GFCCVEGCSA-N 1 0 316.357 3.550 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc([N+](=O)[O-])c1 ZINC001168741779 1020485822 /nfs/dbraw/zinc/48/58/22/1020485822.db2.gz RUTXTBPYRKKWCJ-GOSISDBHSA-N 1 0 312.369 3.866 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000136745625 1020636336 /nfs/dbraw/zinc/63/63/36/1020636336.db2.gz UMCOTCOFBXPGAQ-MRXNPFEDSA-N 1 0 318.417 3.875 20 5 DHBDRO CC[C@@H](C)[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1Br ZINC001171917545 1032920280 /nfs/dbraw/zinc/92/02/80/1032920280.db2.gz ZIMFDBLSFOZJEY-SNVBAGLBSA-N 1 0 315.211 3.978 20 5 DHBDRO CSCC1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000294970630 1020712865 /nfs/dbraw/zinc/71/28/65/1020712865.db2.gz FTCVHIOMZCRAOL-UHFFFAOYSA-N 1 0 300.449 3.668 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c(Cl)c1 ZINC000737416381 1020844242 /nfs/dbraw/zinc/84/42/42/1020844242.db2.gz BMZASPXGBZSPTB-UHFFFAOYSA-N 1 0 323.824 3.703 20 5 DHBDRO COCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414207321 1020996022 /nfs/dbraw/zinc/99/60/22/1020996022.db2.gz QRYBHRZRQPHTEG-ZMSDIMECSA-N 1 0 320.433 3.568 20 5 DHBDRO CCOCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000917135526 1021191475 /nfs/dbraw/zinc/19/14/75/1021191475.db2.gz DSMHGVQMCZWGLI-UHFFFAOYSA-N 1 0 314.385 3.730 20 5 DHBDRO Cc1c(C[NH2+]CCc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] ZINC000917134271 1021191548 /nfs/dbraw/zinc/19/15/48/1021191548.db2.gz PMHJGUGPWBPJSS-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO Cc1cc(NCCCc2ccccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181532116 1021229508 /nfs/dbraw/zinc/22/95/08/1021229508.db2.gz AAQKNPFJLRBJJA-UHFFFAOYSA-N 1 0 322.368 3.891 20 5 DHBDRO C[C@@H](O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892671842 1021267887 /nfs/dbraw/zinc/26/78/87/1021267887.db2.gz DUIUCXWOOBAJLI-LLVKDONJSA-N 1 0 320.776 3.591 20 5 DHBDRO CCC[C@@]1(C)CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000743404196 1021284649 /nfs/dbraw/zinc/28/46/49/1021284649.db2.gz MLSNGQQZZCSZPM-KRWDZBQOSA-N 1 0 316.405 3.804 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOc1ccccc1F ZINC000537970294 1032969613 /nfs/dbraw/zinc/96/96/13/1032969613.db2.gz PMCOLCOYDDUQOL-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000618198581 1021325458 /nfs/dbraw/zinc/32/54/58/1021325458.db2.gz FHKZQCQKJVJUIC-CABCVRRESA-N 1 0 318.398 3.590 20 5 DHBDRO O=[N+]([O-])c1ccc2nc(SCC[NH+]3CCCCC3)sc2c1 ZINC000917751326 1021357607 /nfs/dbraw/zinc/35/76/07/1021357607.db2.gz YTJYYDZUWXMSHN-UHFFFAOYSA-N 1 0 323.443 3.783 20 5 DHBDRO CCOC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000189349242 1021358890 /nfs/dbraw/zinc/35/88/90/1021358890.db2.gz JERRGWGFLLLMPT-HOCLYGCPSA-N 1 0 308.422 3.567 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccccc1F ZINC000743848746 1021375866 /nfs/dbraw/zinc/37/58/66/1021375866.db2.gz CIUCYYUPJOJGJB-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCC(C3CCC3)CC2)cc1 ZINC000850126784 1021422354 /nfs/dbraw/zinc/42/23/54/1021422354.db2.gz PYOKARAGZXWMJL-JFUPDXTOSA-N 1 0 318.417 3.577 20 5 DHBDRO CC1(C)[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(F)F ZINC000850394638 1021508000 /nfs/dbraw/zinc/50/80/00/1021508000.db2.gz XQXFQRDYCAELOT-LLVKDONJSA-N 1 0 304.724 3.629 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000850422689 1021524234 /nfs/dbraw/zinc/52/42/34/1021524234.db2.gz ZXCDAHXUHXHLLL-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000744442059 1021546255 /nfs/dbraw/zinc/54/62/55/1021546255.db2.gz WBZHVTXCGMOFEK-GHMZBOCLSA-N 1 0 321.402 3.950 20 5 DHBDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850470437 1021554061 /nfs/dbraw/zinc/55/40/61/1021554061.db2.gz BDPXUBCTIMCZCK-STQMWFEESA-N 1 0 322.405 3.613 20 5 DHBDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850470436 1021555369 /nfs/dbraw/zinc/55/53/69/1021555369.db2.gz BDPXUBCTIMCZCK-OLZOCXBDSA-N 1 0 322.405 3.613 20 5 DHBDRO CCC(C)(C)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850501838 1021563592 /nfs/dbraw/zinc/56/35/92/1021563592.db2.gz GNRUXEXINYVMLG-CQSZACIVSA-N 1 0 319.449 3.978 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000850523303 1021575104 /nfs/dbraw/zinc/57/51/04/1021575104.db2.gz FSOSEOZRCDSONY-BLLLJJGKSA-N 1 0 316.401 3.618 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000850525068 1021578065 /nfs/dbraw/zinc/57/80/65/1021578065.db2.gz KMMJTJLYIBRVTC-ZBFHGGJFSA-N 1 0 304.390 3.737 20 5 DHBDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850529114 1021581761 /nfs/dbraw/zinc/58/17/61/1021581761.db2.gz NMQLSYQIQKYRRU-OKZBNKHCSA-N 1 0 312.369 3.814 20 5 DHBDRO CC(C)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000850559095 1021603961 /nfs/dbraw/zinc/60/39/61/1021603961.db2.gz XHWYXFOGARWTMQ-SFHVURJKSA-N 1 0 317.433 3.588 20 5 DHBDRO CC(C)CCn1cccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000236640645 1021609886 /nfs/dbraw/zinc/60/98/86/1021609886.db2.gz PPMRKBIIYDKIBS-UHFFFAOYSA-N 1 0 301.390 3.732 20 5 DHBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541119764 1021664792 /nfs/dbraw/zinc/66/47/92/1021664792.db2.gz GVUARSCNRJHOOM-LLVKDONJSA-N 1 0 302.827 3.822 20 5 DHBDRO CC(C)C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000746055742 1021837587 /nfs/dbraw/zinc/83/75/87/1021837587.db2.gz CVSCQQLQYWNOMH-UHFFFAOYSA-N 1 0 316.405 3.803 20 5 DHBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCCC1 ZINC000619739252 1021854420 /nfs/dbraw/zinc/85/44/20/1021854420.db2.gz OMTSSKABQLZZSZ-UHFFFAOYSA-N 1 0 302.378 3.626 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CC(c3ccccc3)C2)cs1 ZINC000619798695 1021907826 /nfs/dbraw/zinc/90/78/26/1021907826.db2.gz URSRCKGVXAAEHF-UHFFFAOYSA-N 1 0 302.399 3.940 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000851749459 1021991442 /nfs/dbraw/zinc/99/14/42/1021991442.db2.gz ZFMSYSHKYXQXNF-OAHLLOKOSA-N 1 0 315.373 3.661 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cccc(F)n3)C2)cc1 ZINC000852135285 1022077612 /nfs/dbraw/zinc/07/76/12/1022077612.db2.gz MLYPTVDCGGOQOT-AWEZNQCLSA-N 1 0 315.348 3.509 20 5 DHBDRO CC[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776583137 1022095644 /nfs/dbraw/zinc/09/56/44/1022095644.db2.gz XQHNEDYDKVHNOY-OGHNNQOOSA-N 1 0 306.406 3.527 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000183311810 1022101103 /nfs/dbraw/zinc/10/11/03/1022101103.db2.gz KDZPYNXWLFMOFS-QGZVFWFLSA-N 1 0 311.385 3.590 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000183338243 1022102568 /nfs/dbraw/zinc/10/25/68/1022102568.db2.gz JNHBDGLUJFVMBX-ZDUSSCGKSA-N 1 0 300.358 3.802 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000183339365 1022102611 /nfs/dbraw/zinc/10/26/11/1022102611.db2.gz LGLAUDVMJGILIK-CQSZACIVSA-N 1 0 314.385 3.672 20 5 DHBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(C)(C)CC1 ZINC000776588842 1022115548 /nfs/dbraw/zinc/11/55/48/1022115548.db2.gz CJFUJVZRGWWUEB-MRXNPFEDSA-N 1 0 306.406 3.529 20 5 DHBDRO CO[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCC1 ZINC001168849169 1022161159 /nfs/dbraw/zinc/16/11/59/1022161159.db2.gz WHDANYYHAHIFJP-GOSISDBHSA-N 1 0 318.417 3.764 20 5 DHBDRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168984296 1022199523 /nfs/dbraw/zinc/19/95/23/1022199523.db2.gz LRUAGIHDYBRECQ-XYPHTWIQSA-N 1 0 308.397 3.948 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)c(Cl)cc2Cl)C1 ZINC001168959114 1022201598 /nfs/dbraw/zinc/20/15/98/1022201598.db2.gz TUUFEBJMVSFGJW-WPRPVWTQSA-N 1 0 321.179 3.668 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC001168967918 1022204006 /nfs/dbraw/zinc/20/40/06/1022204006.db2.gz UOBAHPHQLQEKRC-ZWNOBZJWSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)C1 ZINC001168997039 1022208162 /nfs/dbraw/zinc/20/81/62/1022208162.db2.gz XCXUKHWMGDLLPL-ZBFHGGJFSA-N 1 0 322.836 3.698 20 5 DHBDRO CC(C)CC[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000921050971 1022210295 /nfs/dbraw/zinc/21/02/95/1022210295.db2.gz ZVZFOPMSXAIKEY-UHFFFAOYSA-N 1 0 309.391 3.807 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)cc(Cl)c1 ZINC001169004167 1022212300 /nfs/dbraw/zinc/21/23/00/1022212300.db2.gz QIRZZSBOCICLIZ-RULNRJAQSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2c3ccccc3-c3ccccc32)C1 ZINC001169004968 1022213435 /nfs/dbraw/zinc/21/34/35/1022213435.db2.gz SVSZSYXNWSDKFK-LSDHHAIUSA-N 1 0 322.408 3.834 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1c(F)cccc1Cl ZINC001168986642 1022217424 /nfs/dbraw/zinc/21/74/24/1022217424.db2.gz XZVSFMLIANPQKY-GARJFASQSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CCC2)C1 ZINC001168990702 1022219521 /nfs/dbraw/zinc/21/95/21/1022219521.db2.gz DLXQZCBMSTWOHZ-CHWSQXEVSA-N 1 0 308.809 3.754 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3cccc4ccccc43)CC2)C1 ZINC001168990835 1022219628 /nfs/dbraw/zinc/21/96/28/1022219628.db2.gz DUUPLYOWXQVXBK-GOEBONIOSA-N 1 0 310.397 3.864 20 5 DHBDRO CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038912 1022221944 /nfs/dbraw/zinc/22/19/44/1022221944.db2.gz LGCIPCDGLCNJGR-WCXIOVBPSA-N 1 0 312.454 3.695 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC001169137815 1022265111 /nfs/dbraw/zinc/26/51/11/1022265111.db2.gz VKOBITPAQOQDAP-CQSZACIVSA-N 1 0 306.406 3.922 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000609705137 1022336868 /nfs/dbraw/zinc/33/68/68/1022336868.db2.gz SZUQTMUUNFZTJQ-LBPRGKRZSA-N 1 0 306.749 3.831 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278826259 1022388467 /nfs/dbraw/zinc/38/84/67/1022388467.db2.gz QBENAVOSWZJHQO-GHMZBOCLSA-N 1 0 302.296 3.930 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000090809758 1022458710 /nfs/dbraw/zinc/45/87/10/1022458710.db2.gz ZKPSSWJNOMFFLF-CZUORRHYSA-N 1 0 308.422 3.597 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc([N+](=O)[O-])c(C)cn1 ZINC001169696155 1022506716 /nfs/dbraw/zinc/50/67/16/1022506716.db2.gz JSNMJZWSISRZKM-AWEZNQCLSA-N 1 0 312.373 3.538 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000509436465 1022555896 /nfs/dbraw/zinc/55/58/96/1022555896.db2.gz CCXQFZOPLHMLOR-CTEOGUNLSA-N 1 0 324.380 3.591 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000337545551 1033062960 /nfs/dbraw/zinc/06/29/60/1033062960.db2.gz LLGCVWAGOXXVMT-IHRRRGAJSA-N 1 0 314.332 3.796 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC(F)(F)F)CCCC2 ZINC000417316255 1022673771 /nfs/dbraw/zinc/67/37/71/1022673771.db2.gz UDOYIRYSVKZMCO-CYBMUJFWSA-N 1 0 302.296 3.904 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1CCOCC1)CCCC2 ZINC000417307261 1022675974 /nfs/dbraw/zinc/67/59/74/1022675974.db2.gz GYHBWNHLFXUHEY-SFHVURJKSA-N 1 0 318.417 3.769 20 5 DHBDRO CC(C)OCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319585 1022680700 /nfs/dbraw/zinc/68/07/00/1022680700.db2.gz HYFUBFZIPNYLEC-KRWDZBQOSA-N 1 0 306.406 3.767 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173304051 1022688645 /nfs/dbraw/zinc/68/86/45/1022688645.db2.gz JEEDWCOFJKXKCS-BDJLRTHQSA-N 1 0 320.776 3.632 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCOC1)CCCC2 ZINC000417354598 1022698980 /nfs/dbraw/zinc/69/89/80/1022698980.db2.gz ZODSDEXYZRWJTL-KBXCAEBGSA-N 1 0 318.417 3.769 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)O1 ZINC000417388169 1022725185 /nfs/dbraw/zinc/72/51/85/1022725185.db2.gz ZNLODCKLDLRZJX-GGKPKWOWSA-N 1 0 318.417 3.765 20 5 DHBDRO CC[C@@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000616487747 1022733856 /nfs/dbraw/zinc/73/38/56/1022733856.db2.gz XHWCKVPJZGJFAT-QGZVFWFLSA-N 1 0 316.357 3.514 20 5 DHBDRO CC[N@H+](CC(=O)NC)Cc1c2ccccc2cc2ccccc21 ZINC000768301651 1022942860 /nfs/dbraw/zinc/94/28/60/1022942860.db2.gz GDTAQLYVOQAHFX-UHFFFAOYSA-N 1 0 306.409 3.561 20 5 DHBDRO CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc2C1 ZINC000768655441 1023004926 /nfs/dbraw/zinc/00/49/26/1023004926.db2.gz LNFLUVIUNQLILF-UHFFFAOYSA-N 1 0 316.788 3.895 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnc(Cl)c1 ZINC000123248949 1023016844 /nfs/dbraw/zinc/01/68/44/1023016844.db2.gz OLYYUUMFAXECMO-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CCNC(=O)C[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC000768916101 1023054849 /nfs/dbraw/zinc/05/48/49/1023054849.db2.gz SGIVQSFGZULLKL-UHFFFAOYSA-N 1 0 306.409 3.561 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000123842224 1023076962 /nfs/dbraw/zinc/07/69/62/1023076962.db2.gz FNGLHVFFMFASGC-HIFRSBDPSA-N 1 0 312.369 3.558 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769009412 1023079109 /nfs/dbraw/zinc/07/91/09/1023079109.db2.gz QWZWTVNFSCOQAN-SNVBAGLBSA-N 1 0 313.195 3.732 20 5 DHBDRO C[C@H]1C[C@H](C)[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769471231 1023160951 /nfs/dbraw/zinc/16/09/51/1023160951.db2.gz RNMAZLFRYQOEAJ-UWVGGRQHSA-N 1 0 313.195 3.588 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOC1CCCC1 ZINC000125277321 1023471615 /nfs/dbraw/zinc/47/16/15/1023471615.db2.gz HMXDDYDCLWSFCG-AWEZNQCLSA-N 1 0 306.406 3.903 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000108086766 1023524759 /nfs/dbraw/zinc/52/47/59/1023524759.db2.gz UZBMTUGGSYKRDL-UHFFFAOYSA-N 1 0 314.360 3.941 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000045287726 1023566110 /nfs/dbraw/zinc/56/61/10/1023566110.db2.gz KDYAXCNWVJJYDW-OAHLLOKOSA-N 1 0 319.336 3.576 20 5 DHBDRO C[N@H+](CCC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000746636337 1023759818 /nfs/dbraw/zinc/75/98/18/1023759818.db2.gz DCZZTGWABJJROE-UHFFFAOYSA-N 1 0 307.375 3.561 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3c1cccc3O)CCC2 ZINC000278849882 1023778610 /nfs/dbraw/zinc/77/86/10/1023778610.db2.gz VOEHEUNAQNIKHV-QZTJIDSGSA-N 1 0 324.380 3.955 20 5 DHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000341601731 1023779215 /nfs/dbraw/zinc/77/92/15/1023779215.db2.gz WVIMBGUXHAPANC-CQSZACIVSA-N 1 0 316.405 3.595 20 5 DHBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000788464773 1023888071 /nfs/dbraw/zinc/88/80/71/1023888071.db2.gz NXNGOJNRTMXOBA-WBAXXEDZSA-N 1 0 320.433 3.823 20 5 DHBDRO CCOc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000788467844 1023889459 /nfs/dbraw/zinc/88/94/59/1023889459.db2.gz ALQPCVWHVLMUDB-UHFFFAOYSA-N 1 0 318.348 3.765 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589380 1023910133 /nfs/dbraw/zinc/91/01/33/1023910133.db2.gz BDYQMVVJSNHGRR-WFASDCNBSA-N 1 0 311.385 3.558 20 5 DHBDRO Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000788612571 1023914344 /nfs/dbraw/zinc/91/43/44/1023914344.db2.gz MYRVXTIJJDYAKI-YPMHNXCESA-N 1 0 317.389 3.750 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788822019 1023941075 /nfs/dbraw/zinc/94/10/75/1023941075.db2.gz HXGGHRZTSKQJTL-MNOVXSKESA-N 1 0 313.348 3.653 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000268907840 1024194218 /nfs/dbraw/zinc/19/42/18/1024194218.db2.gz NNGYWEXDWMTXTQ-ZDUSSCGKSA-N 1 0 312.369 3.518 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H](O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000269007819 1024218875 /nfs/dbraw/zinc/21/88/75/1024218875.db2.gz QZFLEYSJHKADGT-CVEARBPZSA-N 1 0 318.373 3.661 20 5 DHBDRO CC[C@@H]([NH2+]CCc1csc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000221958258 1024225960 /nfs/dbraw/zinc/22/59/60/1024225960.db2.gz RWSJVUILZQQZLJ-OAHLLOKOSA-N 1 0 305.403 3.643 20 5 DHBDRO Cc1ccc([C@H](C)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000269060744 1024233067 /nfs/dbraw/zinc/23/30/67/1024233067.db2.gz XUAMHATXYOKKER-AWEZNQCLSA-N 1 0 317.433 3.571 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000531725098 1024295471 /nfs/dbraw/zinc/29/54/71/1024295471.db2.gz NBFOZAHTWGRICT-BBRMVZONSA-N 1 0 306.406 3.759 20 5 DHBDRO CCSc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000883237060 1024311277 /nfs/dbraw/zinc/31/12/77/1024311277.db2.gz QPFXHXAFQKSMNB-UHFFFAOYSA-N 1 0 302.399 3.997 20 5 DHBDRO CC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC(F)(F)C1 ZINC000883254825 1024322077 /nfs/dbraw/zinc/32/20/77/1024322077.db2.gz DFURUHKSFSJFOT-CQSZACIVSA-N 1 0 324.371 3.941 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000883265858 1024336896 /nfs/dbraw/zinc/33/68/96/1024336896.db2.gz MPCHOIUFIAFNID-GFCCVEGCSA-N 1 0 314.332 3.519 20 5 DHBDRO C[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000122138552 1024367846 /nfs/dbraw/zinc/36/78/46/1024367846.db2.gz YKJHPIVESACNLZ-CQSZACIVSA-N 1 0 324.384 3.685 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000105461635 1024383645 /nfs/dbraw/zinc/38/36/45/1024383645.db2.gz OWIRGOMPDZPUQU-JTQLQIEISA-N 1 0 306.749 3.805 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000453194871 1024395492 /nfs/dbraw/zinc/39/54/92/1024395492.db2.gz IPCTZWQNIBIKKE-HNNXBMFYSA-N 1 0 319.792 3.927 20 5 DHBDRO CCC[C@@H](C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270651428 1024414477 /nfs/dbraw/zinc/41/44/77/1024414477.db2.gz UDKLJVIHNZMUQH-GFCCVEGCSA-N 1 0 303.362 3.870 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C2CCC3(COC3)CC2)cc1[N+](=O)[O-] ZINC000883391085 1024424556 /nfs/dbraw/zinc/42/45/56/1024424556.db2.gz BSHVJWZWBUXOBR-UHFFFAOYSA-N 1 0 318.417 3.767 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000453298679 1024445002 /nfs/dbraw/zinc/44/50/02/1024445002.db2.gz WPOKFIKXFZRSFY-RDTXWAMCSA-N 1 0 314.385 3.503 20 5 DHBDRO CO[C@](C)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000453328681 1024448843 /nfs/dbraw/zinc/44/88/43/1024448843.db2.gz VGYLWYUBDQAXKT-RDTXWAMCSA-N 1 0 314.385 3.807 20 5 DHBDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000453320989 1024464139 /nfs/dbraw/zinc/46/41/39/1024464139.db2.gz QGYAXGNRNCOJSV-VBQJREDUSA-N 1 0 306.406 3.697 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C)no1 ZINC000271173790 1024466332 /nfs/dbraw/zinc/46/63/32/1024466332.db2.gz USTZTGYIHGVRMB-LBPRGKRZSA-N 1 0 321.402 3.552 20 5 DHBDRO CO[C@@H]([C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000453338982 1024469604 /nfs/dbraw/zinc/46/96/04/1024469604.db2.gz BGVBAJVRTZCKQJ-NVGVWMPQSA-N 1 0 318.417 3.720 20 5 DHBDRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453402517 1024499546 /nfs/dbraw/zinc/49/95/46/1024499546.db2.gz AFVMOLPNLYINEF-MCIONIFRSA-N 1 0 308.426 3.689 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000271454795 1024511044 /nfs/dbraw/zinc/51/10/44/1024511044.db2.gz GQTOFQNZFVNOJO-MJBXVCDLSA-N 1 0 324.446 3.623 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453422587 1024517287 /nfs/dbraw/zinc/51/72/87/1024517287.db2.gz MUXLJIHMRDYSOX-CABCVRRESA-N 1 0 320.433 3.711 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3(C4CC4)CC3)cs2)c1 ZINC000532120483 1024557689 /nfs/dbraw/zinc/55/76/89/1024557689.db2.gz NVQRPZQKFSYDFA-UHFFFAOYSA-N 1 0 315.398 3.751 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)N1CCCCC1 ZINC000532188539 1024572897 /nfs/dbraw/zinc/57/28/97/1024572897.db2.gz LYONNYNYIDKFHY-HNNXBMFYSA-N 1 0 319.449 3.818 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000348638200 1024598790 /nfs/dbraw/zinc/59/87/90/1024598790.db2.gz DZVCXPWDRGHDIC-WBMJQRKESA-N 1 0 315.373 3.800 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000585767908 1024604478 /nfs/dbraw/zinc/60/44/78/1024604478.db2.gz FCFGQEXIBVHJRI-BXBOZWQASA-N 1 0 316.401 3.501 20 5 DHBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000296044010 1024670525 /nfs/dbraw/zinc/67/05/25/1024670525.db2.gz NIKNWBPNPHCUPS-OLZOCXBDSA-N 1 0 302.378 3.531 20 5 DHBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000747077743 1024676687 /nfs/dbraw/zinc/67/66/87/1024676687.db2.gz YDHIOGGSAROMEC-HNNXBMFYSA-N 1 0 316.405 3.803 20 5 DHBDRO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000349287020 1024695745 /nfs/dbraw/zinc/69/57/45/1024695745.db2.gz UAXPXBUCIFDFOQ-TWGQIWQCSA-N 1 0 311.385 3.914 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C2CCCCCC2)c([N+](=O)[O-])c1 ZINC001170293994 1024728428 /nfs/dbraw/zinc/72/84/28/1024728428.db2.gz OAGNTLCUAFMFJM-ZDUSSCGKSA-N 1 0 306.406 3.847 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170298251 1024729926 /nfs/dbraw/zinc/72/99/26/1024729926.db2.gz HVVZAPXANDVFEE-OFQRWUPVSA-N 1 0 320.433 3.950 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170290567 1024739078 /nfs/dbraw/zinc/73/90/78/1024739078.db2.gz CWFJUUXDWCAYQW-XEZPLFJOSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170325819 1024742953 /nfs/dbraw/zinc/74/29/53/1024742953.db2.gz AGNSBVHXVIVWCD-PFHKOEEOSA-N 1 0 306.406 3.559 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328306 1024743240 /nfs/dbraw/zinc/74/32/40/1024743240.db2.gz JBTHJSTVNGXQSQ-ZIAGYGMSSA-N 1 0 306.406 3.656 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC001170329763 1024746958 /nfs/dbraw/zinc/74/69/58/1024746958.db2.gz TZUWFXYOWYZIDO-DYVFJYSZSA-N 1 0 318.417 3.847 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170347992 1024756622 /nfs/dbraw/zinc/75/66/22/1024756622.db2.gz UNJRKOODBWBGKX-IHRRRGAJSA-N 1 0 306.406 3.655 20 5 DHBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccn1 ZINC000350454170 1024815618 /nfs/dbraw/zinc/81/56/18/1024815618.db2.gz DYTVGMUVWZMHKJ-UHFFFAOYSA-N 1 0 323.352 3.882 20 5 DHBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879191 1024818963 /nfs/dbraw/zinc/81/89/63/1024818963.db2.gz FRBFCSVDLXBYHH-RISCZKNCSA-N 1 0 307.350 3.514 20 5 DHBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879189 1024821174 /nfs/dbraw/zinc/82/11/74/1024821174.db2.gz FRBFCSVDLXBYHH-BXUZGUMPSA-N 1 0 307.350 3.514 20 5 DHBDRO CCCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC1 ZINC000792877954 1024821770 /nfs/dbraw/zinc/82/17/70/1024821770.db2.gz XVULVIZXFZLEPA-OAHLLOKOSA-N 1 0 321.377 3.952 20 5 DHBDRO CC(C)[C@H]1CCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899548 1024835760 /nfs/dbraw/zinc/83/57/60/1024835760.db2.gz WQDSYCMAGLFOBR-QGZVFWFLSA-N 1 0 314.389 3.536 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000134794990 1033244186 /nfs/dbraw/zinc/24/41/86/1033244186.db2.gz NNFAIGJFRIGYQR-NXOAAHMSSA-N 1 0 316.401 3.593 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1 ZINC000107714033 1024936090 /nfs/dbraw/zinc/93/60/90/1024936090.db2.gz MHKCDHFBHWCUQY-UHFFFAOYSA-N 1 0 309.369 3.799 20 5 DHBDRO Cc1cc2cc(C[NH2+]Cc3csc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000353141060 1024963363 /nfs/dbraw/zinc/96/33/63/1024963363.db2.gz QOZOABNCYOAAKG-UHFFFAOYSA-N 1 0 301.371 3.736 20 5 DHBDRO CC(C)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000539055153 1033259633 /nfs/dbraw/zinc/25/96/33/1033259633.db2.gz XICBYBOMWWTWMD-MRXNPFEDSA-N 1 0 302.418 3.942 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc3cc[nH]c3n2)cccc1[N+](=O)[O-] ZINC000353626451 1025160618 /nfs/dbraw/zinc/16/06/18/1025160618.db2.gz HWYZJSXYGQTWBE-LBPRGKRZSA-N 1 0 310.357 3.630 20 5 DHBDRO C[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000319203879 1025196815 /nfs/dbraw/zinc/19/68/15/1025196815.db2.gz QNICOVZINLOHNZ-LLVKDONJSA-N 1 0 313.348 3.676 20 5 DHBDRO CCSCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000135295591 1025208007 /nfs/dbraw/zinc/20/80/07/1025208007.db2.gz UVDSUEIDRQBPNP-JTQLQIEISA-N 1 0 302.827 3.870 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000178565061 1025215108 /nfs/dbraw/zinc/21/51/08/1025215108.db2.gz ATWTUZMFKJPCCL-MSOLQXFVSA-N 1 0 314.385 3.759 20 5 DHBDRO CCCCCn1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000348343247 1025270559 /nfs/dbraw/zinc/27/05/59/1025270559.db2.gz KXIAXTIQIUISFA-UHFFFAOYSA-N 1 0 316.405 3.580 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000804476415 1025307436 /nfs/dbraw/zinc/30/74/36/1025307436.db2.gz WYZGSJIDXNNUHX-UHFFFAOYSA-N 1 0 323.824 3.703 20 5 DHBDRO CN(Cc1ccc[nH]1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000354025733 1025326285 /nfs/dbraw/zinc/32/62/85/1025326285.db2.gz IRCJCTLNZJZQAV-UHFFFAOYSA-N 1 0 311.341 3.815 20 5 DHBDRO CSCCCCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877303393 1033278791 /nfs/dbraw/zinc/27/87/91/1033278791.db2.gz FRIWZRHQFBUISN-UHFFFAOYSA-N 1 0 323.418 3.749 20 5 DHBDRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000886010596 1025436543 /nfs/dbraw/zinc/43/65/43/1025436543.db2.gz LTKYFGPNSPWMTO-VNQPRFMTSA-N 1 0 306.406 3.902 20 5 DHBDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000886016565 1025440580 /nfs/dbraw/zinc/44/05/80/1025440580.db2.gz HHGSPRQFAVPXNR-TZMCWYRMSA-N 1 0 312.797 3.686 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000354699648 1025484736 /nfs/dbraw/zinc/48/47/36/1025484736.db2.gz GJBVXELBEIXTHI-JSGCOSHPSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000804812678 1025485747 /nfs/dbraw/zinc/48/57/47/1025485747.db2.gz KQHXSIIHWGOHMQ-OCCSQVGLSA-N 1 0 323.824 3.620 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000886105157 1025505367 /nfs/dbraw/zinc/50/53/67/1025505367.db2.gz SXBFNDDTLCFTLZ-CQSZACIVSA-N 1 0 305.765 3.884 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000886223089 1025566246 /nfs/dbraw/zinc/56/62/46/1025566246.db2.gz GRZGIZRVELGVMX-JQWIXIFHSA-N 1 0 317.311 3.591 20 5 DHBDRO CCCCN(Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1ccccc1 ZINC000355343214 1025685810 /nfs/dbraw/zinc/68/58/10/1025685810.db2.gz ZKAMVALDGWFCKW-CQSZACIVSA-N 1 0 316.405 3.692 20 5 DHBDRO CCOCC(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000567142053 1025796774 /nfs/dbraw/zinc/79/67/74/1025796774.db2.gz CLLBQIDEVUXWTK-INIZCTEOSA-N 1 0 320.433 3.970 20 5 DHBDRO CCC1([NH+]2CCC2)CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000886711382 1025824369 /nfs/dbraw/zinc/82/43/69/1025824369.db2.gz UUVRWOXMKWPODE-OAHLLOKOSA-N 1 0 317.433 3.606 20 5 DHBDRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000089512744 1026051080 /nfs/dbraw/zinc/05/10/80/1026051080.db2.gz FPTUCFWWIZRCPS-GFCCVEGCSA-N 1 0 317.414 3.781 20 5 DHBDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090723785 1026084484 /nfs/dbraw/zinc/08/44/84/1026084484.db2.gz JQHGULKNOMOGTA-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000289946809 1026244812 /nfs/dbraw/zinc/24/48/12/1026244812.db2.gz WISRVNVFIADPBF-VXGBXAGGSA-N 1 0 316.357 3.721 20 5 DHBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000419367604 1026274114 /nfs/dbraw/zinc/27/41/14/1026274114.db2.gz DHIBKNAFUPOZDT-JHJVBQTASA-N 1 0 315.373 3.726 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000120620245 1026338146 /nfs/dbraw/zinc/33/81/46/1026338146.db2.gz GIPUFIHHQBFVCI-UHFFFAOYSA-N 1 0 312.369 3.713 20 5 DHBDRO CO[C@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000280133348 1026596498 /nfs/dbraw/zinc/59/64/98/1026596498.db2.gz CNZRBMURTDJRMD-OAHLLOKOSA-N 1 0 312.797 3.639 20 5 DHBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809733020 1026597100 /nfs/dbraw/zinc/59/71/00/1026597100.db2.gz OTCRCRHOVXFLKZ-HFTRVMKXSA-N 1 0 320.433 3.823 20 5 DHBDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000513698372 1026668913 /nfs/dbraw/zinc/66/89/13/1026668913.db2.gz ZWBOWCGBOKJWLS-LBPRGKRZSA-N 1 0 320.339 3.984 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421346230 1026958253 /nfs/dbraw/zinc/95/82/53/1026958253.db2.gz CEKFELUWBQIPPQ-UYWPIULCSA-N 1 0 318.442 3.731 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC4(C3)CCCCC4)nc2c1 ZINC000421386402 1026976680 /nfs/dbraw/zinc/97/66/80/1026976680.db2.gz LRDJBFRNESEFJU-UHFFFAOYSA-N 1 0 314.389 3.674 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccco1 ZINC000811472652 1027015300 /nfs/dbraw/zinc/01/53/00/1027015300.db2.gz LKIIJUQEVSWOOU-UHFFFAOYSA-N 1 0 315.156 3.827 20 5 DHBDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000421858414 1027070075 /nfs/dbraw/zinc/07/00/75/1027070075.db2.gz PSMZUVQNWGRQTH-NEPJUHHUSA-N 1 0 320.414 3.745 20 5 DHBDRO C[C@H](CC[NH+](C)C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228845154 1027127796 /nfs/dbraw/zinc/12/77/96/1027127796.db2.gz KFRQLVFZQBCXJU-MRVPVSSYSA-N 1 0 306.193 3.654 20 5 DHBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000156700727 1027146694 /nfs/dbraw/zinc/14/66/94/1027146694.db2.gz KQZKZDSBBYXDBP-HOTGVXAUSA-N 1 0 306.406 3.529 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)C1CCCCC1)CCC2 ZINC000573911270 1027340102 /nfs/dbraw/zinc/34/01/02/1027340102.db2.gz XPFUJQOAWAVJLE-ROUUACIJSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)C1CCCCC1)CCC2 ZINC000573911268 1027341112 /nfs/dbraw/zinc/34/11/12/1027341112.db2.gz XPFUJQOAWAVJLE-MSOLQXFVSA-N 1 0 318.417 3.503 20 5 DHBDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000573933490 1027342682 /nfs/dbraw/zinc/34/26/82/1027342682.db2.gz GWOYYFLQUIIXRX-SJKOYZFVSA-N 1 0 312.369 3.942 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCc4ccccc43)c2c1 ZINC000574722876 1027419657 /nfs/dbraw/zinc/41/96/57/1027419657.db2.gz VTTHNGMFEXQXNY-GOSISDBHSA-N 1 0 321.380 3.896 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1cccc([N+](=O)[O-])c1 ZINC000423449164 1027547366 /nfs/dbraw/zinc/54/73/66/1027547366.db2.gz QZJZPUOQLIWBHH-ZDUSSCGKSA-N 1 0 311.385 3.804 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000296753145 1027725699 /nfs/dbraw/zinc/72/56/99/1027725699.db2.gz PVDKVBMWOSYODR-MEDUHNTESA-N 1 0 320.776 3.632 20 5 DHBDRO CCc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000577716850 1027905876 /nfs/dbraw/zinc/90/58/76/1027905876.db2.gz AQDCMURNLYIFEO-UHFFFAOYSA-N 1 0 313.357 3.564 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c(Cl)c1 ZINC000934699064 1028080541 /nfs/dbraw/zinc/08/05/41/1028080541.db2.gz SQKGPWJZCDLHCI-MRXNPFEDSA-N 1 0 317.776 3.884 20 5 DHBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000217198328 1028218384 /nfs/dbraw/zinc/21/83/84/1028218384.db2.gz YRWPFXZXMIAHDB-QGZVFWFLSA-N 1 0 314.360 3.723 20 5 DHBDRO C[C@H](CCc1ccco1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058973 1028294143 /nfs/dbraw/zinc/29/41/43/1028294143.db2.gz NKBKVNRESVQSJS-KGLIPLIRSA-N 1 0 302.374 3.730 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2ccccc2C1 ZINC000449064918 1028302895 /nfs/dbraw/zinc/30/28/95/1028302895.db2.gz WZPVPWZRQSMUPS-KDOFPFPSSA-N 1 0 310.397 3.673 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(C[NH+](C)C)cc1 ZINC000449043691 1028306217 /nfs/dbraw/zinc/30/62/17/1028306217.db2.gz YZPAGJIUWWIBQD-CQSZACIVSA-N 1 0 313.401 3.700 20 5 DHBDRO Cc1csc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449116681 1028372648 /nfs/dbraw/zinc/37/26/48/1028372648.db2.gz MFCOHJJOFLGYES-CMPLNLGQSA-N 1 0 305.403 3.642 20 5 DHBDRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449141225 1028395499 /nfs/dbraw/zinc/39/54/99/1028395499.db2.gz KVGXZFUVAKQUIQ-VHDGCEQUSA-N 1 0 308.447 3.790 20 5 DHBDRO Cc1cnc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449174039 1028415110 /nfs/dbraw/zinc/41/51/10/1028415110.db2.gz GZKMDQQQBVERNH-CMPLNLGQSA-N 1 0 305.403 3.642 20 5 DHBDRO C[C@H]1[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCC12CCOCC2 ZINC000368832566 1028415202 /nfs/dbraw/zinc/41/52/02/1028415202.db2.gz FQCIBVOVQQVLDG-GFCCVEGCSA-N 1 0 324.808 3.639 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449237638 1028482673 /nfs/dbraw/zinc/48/26/73/1028482673.db2.gz OMCPWTGOCSQOHK-NWDGAFQWSA-N 1 0 319.430 3.684 20 5 DHBDRO C[C@@H]([NH2+]CCCOC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815554615 1028542028 /nfs/dbraw/zinc/54/20/28/1028542028.db2.gz DFOPQCHMXRCDKV-CYBMUJFWSA-N 1 0 321.421 3.567 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](C)c1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566873 1028545421 /nfs/dbraw/zinc/54/54/21/1028545421.db2.gz HUOJYCJVLUGVMR-VXGBXAGGSA-N 1 0 317.364 3.770 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815564997 1028545450 /nfs/dbraw/zinc/54/54/50/1028545450.db2.gz ZUAUFUITJSTCTH-GHMZBOCLSA-N 1 0 305.403 3.959 20 5 DHBDRO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815581682 1028554277 /nfs/dbraw/zinc/55/42/77/1028554277.db2.gz MONXKJDTHUHDOQ-KGYLQXTDSA-N 1 0 309.435 3.502 20 5 DHBDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815585602 1028557151 /nfs/dbraw/zinc/55/71/51/1028557151.db2.gz MOKNABLNUQLTSS-FPMFFAJLSA-N 1 0 323.462 3.892 20 5 DHBDRO Cc1cc(F)ccc1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587877 1028559768 /nfs/dbraw/zinc/55/97/68/1028559768.db2.gz WNMBEEDDERDKBU-LBPRGKRZSA-N 1 0 317.364 3.518 20 5 DHBDRO CCC(CC)[C@H](CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OC ZINC000815596907 1028562457 /nfs/dbraw/zinc/56/24/57/1028562457.db2.gz HUCSEKPDBREVEQ-PXAZEXFGSA-N 1 0 323.437 3.669 20 5 DHBDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600321 1028565185 /nfs/dbraw/zinc/56/51/85/1028565185.db2.gz QLWNZSLRXUHXCH-RYUDHWBXSA-N 1 0 314.389 3.546 20 5 DHBDRO CC(C)[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000565272548 1028569210 /nfs/dbraw/zinc/56/92/10/1028569210.db2.gz YGVQDKWFNBXKBI-KRWDZBQOSA-N 1 0 301.390 3.643 20 5 DHBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616592 1028573019 /nfs/dbraw/zinc/57/30/19/1028573019.db2.gz SDKKAYFIJDBDBM-WCBMZHEXSA-N 1 0 305.300 3.559 20 5 DHBDRO C=Cc1ccc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815628087 1028576388 /nfs/dbraw/zinc/57/63/88/1028576388.db2.gz QZAHBEUCJWVZPI-CYBMUJFWSA-N 1 0 311.385 3.713 20 5 DHBDRO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)C1 ZINC000565425265 1028586659 /nfs/dbraw/zinc/58/66/59/1028586659.db2.gz DDINIMYSXUCEIS-LLVKDONJSA-N 1 0 303.362 3.604 20 5 DHBDRO Cc1cccnc1CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449482590 1028692363 /nfs/dbraw/zinc/69/23/63/1028692363.db2.gz CGRUVKDHHLNUNP-UITAMQMPSA-N 1 0 311.385 3.534 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000449618297 1028853711 /nfs/dbraw/zinc/85/37/11/1028853711.db2.gz AWBDWEVOCXYGDG-DZGCQCFKSA-N 1 0 318.398 3.666 20 5 DHBDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000449616487 1028870036 /nfs/dbraw/zinc/87/00/36/1028870036.db2.gz QCBWTPYXGSMIKC-WKILWMFISA-N 1 0 312.369 3.639 20 5 DHBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000372769264 1028895117 /nfs/dbraw/zinc/89/51/17/1028895117.db2.gz UGKMATDVRKCGOE-MRXNPFEDSA-N 1 0 311.385 3.808 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449687604 1028926072 /nfs/dbraw/zinc/92/60/72/1028926072.db2.gz QFHNHABNWFNPIM-GOSISDBHSA-N 1 0 318.417 3.721 20 5 DHBDRO CC(C)NC(=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000042209782 1028931398 /nfs/dbraw/zinc/93/13/98/1028931398.db2.gz HBSJJEKXRGNKIK-UHFFFAOYSA-N 1 0 320.436 3.997 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449757604 1028963153 /nfs/dbraw/zinc/96/31/53/1028963153.db2.gz DWXUPDDCHCYBIA-ZKVFWIFDSA-N 1 0 304.390 3.545 20 5 DHBDRO CCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000816643085 1028969553 /nfs/dbraw/zinc/96/95/53/1028969553.db2.gz UUZFTHZKRVSNRM-UHFFFAOYSA-N 1 0 312.797 3.687 20 5 DHBDRO COC[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000449774919 1028987534 /nfs/dbraw/zinc/98/75/34/1028987534.db2.gz LMQAVODKMAROPG-RBFDBLARSA-N 1 0 318.417 3.747 20 5 DHBDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000449781727 1028998846 /nfs/dbraw/zinc/99/88/46/1028998846.db2.gz JKQXXSYXWBVTEV-SNVBAGLBSA-N 1 0 324.377 3.525 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCSC3)o2)c1 ZINC000570034680 1029304030 /nfs/dbraw/zinc/30/40/30/1029304030.db2.gz HIHBNXWLCFWYDC-GFCCVEGCSA-N 1 0 318.398 3.698 20 5 DHBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]2C1 ZINC000818334460 1029370193 /nfs/dbraw/zinc/37/01/93/1029370193.db2.gz MXYWDTZFFHJKLO-YNOUVUFWSA-N 1 0 324.808 3.541 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(c2ccccn2)CCC1 ZINC000570739539 1029414579 /nfs/dbraw/zinc/41/45/79/1029414579.db2.gz PVKDMIKGQDDNLN-MRXNPFEDSA-N 1 0 323.396 3.689 20 5 DHBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1F ZINC000374924240 1029500174 /nfs/dbraw/zinc/50/01/74/1029500174.db2.gz CMWZYZHATSIWLU-INIZCTEOSA-N 1 0 316.332 3.777 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000530325352 1029817774 /nfs/dbraw/zinc/81/77/74/1029817774.db2.gz FBICTFCQMTZCMB-NKQBTQLKSA-N 1 0 304.390 3.544 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451477129 1029879237 /nfs/dbraw/zinc/87/92/37/1029879237.db2.gz HEWATUIZSRSGED-VQISRLSMSA-N 1 0 324.808 3.541 20 5 DHBDRO Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451545913 1029908530 /nfs/dbraw/zinc/90/85/30/1029908530.db2.gz HVDKQKGEEXJSRT-ZFWWWQNUSA-N 1 0 315.373 3.832 20 5 DHBDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549102 1029913130 /nfs/dbraw/zinc/91/31/30/1029913130.db2.gz OXZAIMXXGIYAOE-GDBMZVCRSA-N 1 0 311.385 3.930 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(CN(Cc3ccccc3)C3CC3)nc2c1 ZINC000357210891 1029950997 /nfs/dbraw/zinc/95/09/97/1029950997.db2.gz RMSNKJJGTJROTJ-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000467839487 1029974749 /nfs/dbraw/zinc/97/47/49/1029974749.db2.gz MXOKHFPCAXTRHV-ZNMIVQPWSA-N 1 0 305.422 3.508 20 5 DHBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCOC1 ZINC000357345219 1030006423 /nfs/dbraw/zinc/00/64/23/1030006423.db2.gz NSOMRPGOPGKNEF-QGZVFWFLSA-N 1 0 316.357 3.514 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cs1 ZINC000357349138 1030008823 /nfs/dbraw/zinc/00/88/23/1030008823.db2.gz CFBHJBJUAQLGDI-GDBMZVCRSA-N 1 0 318.398 3.524 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2cnc(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC000865788064 1030024184 /nfs/dbraw/zinc/02/41/84/1030024184.db2.gz XTEZDAMQJNUJPR-UHFFFAOYSA-N 1 0 305.765 3.550 20 5 DHBDRO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451963687 1030069700 /nfs/dbraw/zinc/06/97/00/1030069700.db2.gz HXZXBFZVKDLTAO-CJNGLKHVSA-N 1 0 306.431 3.875 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cccs1 ZINC000866217459 1030163805 /nfs/dbraw/zinc/16/38/05/1030163805.db2.gz ZPHIRKIXKYWDMI-LLVKDONJSA-N 1 0 308.378 3.559 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C1CCC1 ZINC000924796930 1030190028 /nfs/dbraw/zinc/19/00/28/1030190028.db2.gz DQXPWKJSIDPGAN-CHWSQXEVSA-N 1 0 314.389 3.928 20 5 DHBDRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866275076 1030196501 /nfs/dbraw/zinc/19/65/01/1030196501.db2.gz XBSOGKBYOTVEIB-DDTOSNHZSA-N 1 0 312.410 3.539 20 5 DHBDRO C[C@H]1C[C@H](Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000557589814 1030204547 /nfs/dbraw/zinc/20/45/47/1030204547.db2.gz ZHLJVTIAUDQWAM-WCBMZHEXSA-N 1 0 318.204 3.796 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccnc(SC)c1)c1cccc([N+](=O)[O-])c1 ZINC000357857102 1030224193 /nfs/dbraw/zinc/22/41/93/1030224193.db2.gz UTPHHKGUFHNRTE-HNNXBMFYSA-N 1 0 317.414 3.953 20 5 DHBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866339166 1030240105 /nfs/dbraw/zinc/24/01/05/1030240105.db2.gz FTLRFKBSBZAJJS-SKDRFNHKSA-N 1 0 322.302 3.986 20 5 DHBDRO C[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC(F)F ZINC000866380921 1030268009 /nfs/dbraw/zinc/26/80/09/1030268009.db2.gz MRBQYBRPCLWXIF-NXEZZACHSA-N 1 0 304.312 3.546 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@@]1(C)CC1(F)F ZINC000866390798 1030273809 /nfs/dbraw/zinc/27/38/09/1030273809.db2.gz TTYAXMJGZFZLII-HZMBPMFUSA-N 1 0 316.323 3.690 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000925231883 1030315071 /nfs/dbraw/zinc/31/50/71/1030315071.db2.gz VCUSKRVXSZLTTL-SCNOPHJPSA-N 1 0 318.417 3.841 20 5 DHBDRO O=[N+]([O-])c1ccc(CN[C@H]2COCc3cccc(Cl)c32)cc1 ZINC000925307820 1030339193 /nfs/dbraw/zinc/33/91/93/1030339193.db2.gz NVSFFNZWUCFRMF-HNNXBMFYSA-N 1 0 318.760 3.609 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000533413959 1030339761 /nfs/dbraw/zinc/33/97/61/1030339761.db2.gz DWXORUGTHQHMKV-CQSZACIVSA-N 1 0 311.385 3.608 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000866537568 1030357288 /nfs/dbraw/zinc/35/72/88/1030357288.db2.gz PNJCZLJMVGSDDV-JQFCIGGWSA-N 1 0 318.417 3.617 20 5 DHBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805839045 1030396920 /nfs/dbraw/zinc/39/69/20/1030396920.db2.gz NGTCJWRPZMQRKN-KMFMINBZSA-N 1 0 320.433 3.775 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)C1(Br)CC1)c1ccccc1[N+](=O)[O-] ZINC000925691883 1030456188 /nfs/dbraw/zinc/45/61/88/1030456188.db2.gz KPDFMQQFQOCDRZ-NXEZZACHSA-N 1 0 313.195 3.561 20 5 DHBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000843435281 1030561175 /nfs/dbraw/zinc/56/11/75/1030561175.db2.gz RVGYHYNUZAMFEI-WRWORJQWSA-N 1 0 321.229 3.885 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccns1 ZINC000926112931 1030620660 /nfs/dbraw/zinc/62/06/60/1030620660.db2.gz JRQIZOJNHOVWOX-SECBINFHSA-N 1 0 311.794 3.598 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1(Cl)Cl ZINC000824771392 1030630400 /nfs/dbraw/zinc/63/04/00/1030630400.db2.gz BXEAXYXNONWTNA-LLVKDONJSA-N 1 0 323.607 3.922 20 5 DHBDRO CC[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000359369840 1030932042 /nfs/dbraw/zinc/93/20/42/1030932042.db2.gz LHAFVNKUROZSCK-KRWDZBQOSA-N 1 0 319.449 3.900 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC000926891769 1030972539 /nfs/dbraw/zinc/97/25/39/1030972539.db2.gz KCWXFYLDQCSZFX-CHWSQXEVSA-N 1 0 314.389 3.928 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000926952524 1031015326 /nfs/dbraw/zinc/01/53/26/1031015326.db2.gz ZPUQZCOJFZTREL-ZMLRMANQSA-N 1 0 302.296 3.752 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927032032 1031044499 /nfs/dbraw/zinc/04/44/99/1031044499.db2.gz YAOZYKFWCMIDOF-WOPDTQHZSA-N 1 0 310.419 3.538 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000927065297 1031063435 /nfs/dbraw/zinc/06/34/35/1031063435.db2.gz GYAKIJHCNWZIJL-SUMWQHHRSA-N 1 0 316.405 3.685 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000844392762 1031096253 /nfs/dbraw/zinc/09/62/53/1031096253.db2.gz FTEBZMJLMWXHLD-DLBZAZTESA-N 1 0 318.348 3.508 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844440169 1031142820 /nfs/dbraw/zinc/14/28/20/1031142820.db2.gz QXTGTXOJVWDMJH-CYBMUJFWSA-N 1 0 316.735 3.869 20 5 DHBDRO Cc1c(C[NH2+]Cc2cnc(C3CCC3)s2)cccc1[N+](=O)[O-] ZINC000359820739 1031154004 /nfs/dbraw/zinc/15/40/04/1031154004.db2.gz UYHUEFWYFZNBAR-UHFFFAOYSA-N 1 0 317.414 3.917 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](CC)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000360054405 1031259255 /nfs/dbraw/zinc/25/92/55/1031259255.db2.gz MRUBUMADUMXVDI-WMZOPIPTSA-N 1 0 319.449 3.900 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@H]1c1ccccc1)CC2 ZINC000536677281 1031386574 /nfs/dbraw/zinc/38/65/74/1031386574.db2.gz IKIBCHOMUBJWHX-MJGOQNOKSA-N 1 0 308.381 3.757 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000872041740 1031425349 /nfs/dbraw/zinc/42/53/49/1031425349.db2.gz KPYHMDNSBJAPBI-XHDPSFHLSA-N 1 0 310.419 3.536 20 5 DHBDRO CSC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040512 1031425391 /nfs/dbraw/zinc/42/53/91/1031425391.db2.gz ZPOFDUNBUZRQBQ-VHSXEESVSA-N 1 0 300.449 3.719 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000872041399 1031425745 /nfs/dbraw/zinc/42/57/45/1031425745.db2.gz HQRGWDBYMBIYBO-XIRDDKMYSA-N 1 0 306.406 3.841 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000872050070 1031438672 /nfs/dbraw/zinc/43/86/72/1031438672.db2.gz WMXBBZFGXHTTAJ-KBMXLJTQSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@H](CCO)C1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872054571 1031443101 /nfs/dbraw/zinc/44/31/01/1031443101.db2.gz ZAHXLOZTUJFFPP-OLZOCXBDSA-N 1 0 324.396 3.573 20 5 DHBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872058050 1031448692 /nfs/dbraw/zinc/44/86/92/1031448692.db2.gz MRCQKCNEMDMEIG-HZSPNIEDSA-N 1 0 324.396 3.978 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872058052 1031449998 /nfs/dbraw/zinc/44/99/98/1031449998.db2.gz MRCQKCNEMDMEIG-MGPQQGTHSA-N 1 0 324.396 3.978 20 5 DHBDRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000536842239 1031450218 /nfs/dbraw/zinc/45/02/18/1031450218.db2.gz XLYJOZHDRUDOAG-XIKOKIGWSA-N 1 0 314.360 3.800 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000872063698 1031458602 /nfs/dbraw/zinc/45/86/02/1031458602.db2.gz SELPNPZRANHPHZ-DOMZBBRYSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@@H]([NH2+]CCCC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872073094 1031469044 /nfs/dbraw/zinc/46/90/44/1031469044.db2.gz MIJBJQJOQFJJIM-GFCCVEGCSA-N 1 0 310.369 3.591 20 5 DHBDRO COCC1(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872073103 1031469601 /nfs/dbraw/zinc/46/96/01/1031469601.db2.gz MOHRMFRMTOWMJS-GFCCVEGCSA-N 1 0 310.369 3.591 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CC(C)(C)O ZINC000872074848 1031472606 /nfs/dbraw/zinc/47/26/06/1031472606.db2.gz JEGYPXYFJFKNCL-WDEREUQCSA-N 1 0 312.435 3.517 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CC(C)(C)O ZINC000872074845 1031472845 /nfs/dbraw/zinc/47/28/45/1031472845.db2.gz JEGYPXYFJFKNCL-GHMZBOCLSA-N 1 0 312.435 3.517 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083087 1031479413 /nfs/dbraw/zinc/47/94/13/1031479413.db2.gz GXDJLZSVFQJMFV-CXMBCZLWSA-N 1 0 322.380 3.732 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088471 1031486081 /nfs/dbraw/zinc/48/60/81/1031486081.db2.gz OYGBMTGQMFYCBB-GZMMTYOYSA-N 1 0 302.296 3.676 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093823 1031489876 /nfs/dbraw/zinc/48/98/76/1031489876.db2.gz XKKDRWZSSIEWKY-PLQHRBFRSA-N 1 0 322.380 3.590 20 5 DHBDRO COCC(C)(C)CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000808428892 1031523494 /nfs/dbraw/zinc/52/34/94/1031523494.db2.gz ULXYGLHCBCRIOE-UHFFFAOYSA-N 1 0 314.813 3.791 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1CN1Cc2ccccc2C2(CC2)C1 ZINC000360725956 1031533430 /nfs/dbraw/zinc/53/34/30/1031533430.db2.gz OZLACTIDCMGEJP-UHFFFAOYSA-N 1 0 324.380 3.651 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCC2(OC)CCC2)cc1[N+](=O)[O-] ZINC000293647405 1031555492 /nfs/dbraw/zinc/55/54/92/1031555492.db2.gz HOWCVAWTSLIBRK-ZDUSSCGKSA-N 1 0 322.405 3.603 20 5 DHBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000537306659 1031563828 /nfs/dbraw/zinc/56/38/28/1031563828.db2.gz KCMCLNHONIPERR-AVRGHOLYSA-N 1 0 306.406 3.613 20 5 DHBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCSC1 ZINC000293690085 1031571702 /nfs/dbraw/zinc/57/17/02/1031571702.db2.gz BTKQPRHHFLFSGN-NSHDSACASA-N 1 0 320.336 3.551 20 5 DHBDRO Cc1c(C[NH2+][C@H](c2cccnc2)C2CCC2)cccc1[N+](=O)[O-] ZINC000360882344 1031601173 /nfs/dbraw/zinc/60/11/73/1031601173.db2.gz DGHWIKWEDWQHDA-SFHVURJKSA-N 1 0 311.385 3.929 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC001171188575 1031623409 /nfs/dbraw/zinc/62/34/09/1031623409.db2.gz DBKAWXUIZQQDOO-MELADBBJSA-N 1 0 306.406 3.908 20 5 DHBDRO CCC[C@@H](NCC[N@H+](CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000360922293 1031624575 /nfs/dbraw/zinc/62/45/75/1031624575.db2.gz NOAZJFWGTNFNOG-QGZVFWFLSA-N 1 0 307.438 3.756 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(NCCCC[NH+]2CCC(C)CC2)c1 ZINC000360953864 1031641640 /nfs/dbraw/zinc/64/16/40/1031641640.db2.gz JOJUSIUSJIEFDT-UHFFFAOYSA-N 1 0 321.421 3.527 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536840106 1031647635 /nfs/dbraw/zinc/64/76/35/1031647635.db2.gz PZBSYJOZBUMNSP-NEPJUHHUSA-N 1 0 317.389 3.962 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873097670 1031709958 /nfs/dbraw/zinc/70/99/58/1031709958.db2.gz VKJFVPFUTPRTKX-SCLBCKFNSA-N 1 0 314.385 3.505 20 5 DHBDRO CCOCCC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873094658 1031710504 /nfs/dbraw/zinc/71/05/04/1031710504.db2.gz ANQIYHUPCIXQPL-UHFFFAOYSA-N 1 0 306.406 3.508 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000873129411 1031720287 /nfs/dbraw/zinc/72/02/87/1031720287.db2.gz LIHXBSUVODUFDA-AWEZNQCLSA-N 1 0 306.406 3.506 20 5 DHBDRO Cc1c(C[NH2+]CCSCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000873149070 1031725895 /nfs/dbraw/zinc/72/58/95/1031725895.db2.gz LGDYLIYIEPIFJM-UHFFFAOYSA-N 1 0 322.352 3.678 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000476231303 1031773410 /nfs/dbraw/zinc/77/34/10/1031773410.db2.gz LJYKFCANXPXFEL-HNNXBMFYSA-N 1 0 312.369 3.593 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(N)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000873287886 1031789217 /nfs/dbraw/zinc/78/92/17/1031789217.db2.gz NNCPEGBHGSUIBI-INIZCTEOSA-N 1 0 303.337 3.557 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)cc1[N+](=O)[O-] ZINC000897781217 1031834626 /nfs/dbraw/zinc/83/46/26/1031834626.db2.gz SLDJZTSMUZUXOQ-MJJDPTRDSA-N 1 0 318.417 3.765 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1cncs1 ZINC000897932146 1031874923 /nfs/dbraw/zinc/87/49/23/1031874923.db2.gz IHTYCCCUOVUAKQ-IGEMTJHASA-N 1 0 303.387 3.805 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cncs1 ZINC000897932411 1031875343 /nfs/dbraw/zinc/87/53/43/1031875343.db2.gz LUPCWKFANWLGNC-VXGBXAGGSA-N 1 0 305.403 3.723 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000846103243 1031875983 /nfs/dbraw/zinc/87/59/83/1031875983.db2.gz UVLBSWXUULSTPR-LLVKDONJSA-N 1 0 303.189 3.658 20 5 DHBDRO Cc1ccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000846103274 1031876719 /nfs/dbraw/zinc/87/67/19/1031876719.db2.gz VSRPPEDIFXAAJO-GFCCVEGCSA-N 1 0 317.216 3.967 20 5 DHBDRO CS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846180733 1031913721 /nfs/dbraw/zinc/91/37/21/1031913721.db2.gz VFUNJYBKVBUYQG-PSOPSSQASA-N 1 0 309.435 3.502 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000898019484 1031919330 /nfs/dbraw/zinc/91/93/30/1031919330.db2.gz NKGMOYXCQUQCMN-NSHDSACASA-N 1 0 314.332 3.519 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000898019483 1031919524 /nfs/dbraw/zinc/91/95/24/1031919524.db2.gz NKGMOYXCQUQCMN-LLVKDONJSA-N 1 0 314.332 3.519 20 5 DHBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957507 1032041937 /nfs/dbraw/zinc/04/19/37/1032041937.db2.gz RITQDLCOJHQUAV-XJKSGUPXSA-N 1 0 314.389 3.536 20 5 DHBDRO C[C@H]([N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1(C)CC1 ZINC000777962353 1032045205 /nfs/dbraw/zinc/04/52/05/1032045205.db2.gz AOHPFRHQPHXBJP-ZDUSSCGKSA-N 1 0 314.389 3.536 20 5 DHBDRO CCC1(CC)CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877468635 1033310542 /nfs/dbraw/zinc/31/05/42/1033310542.db2.gz LRYIKSANQATJSJ-UHFFFAOYSA-N 1 0 320.437 3.833 20 5 DHBDRO CCC(CC)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000539279632 1033313892 /nfs/dbraw/zinc/31/38/92/1033313892.db2.gz QHTFXVRVCOUHQV-OAHLLOKOSA-N 1 0 322.434 3.620 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000126668701 1033415987 /nfs/dbraw/zinc/41/59/87/1033415987.db2.gz VBKFWWWTGRSDAT-HNNXBMFYSA-N 1 0 302.761 3.505 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)CC2 ZINC001172897183 1033435189 /nfs/dbraw/zinc/43/51/89/1033435189.db2.gz XXAIAGXDKVGXNQ-IUODEOHRSA-N 1 0 324.371 3.867 20 5 DHBDRO Cc1ccc(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172899440 1033435270 /nfs/dbraw/zinc/43/52/70/1033435270.db2.gz XYKJMIUTFSAKTI-IBGZPJMESA-N 1 0 324.424 3.983 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccs1)CC2 ZINC001172898792 1033435356 /nfs/dbraw/zinc/43/53/56/1033435356.db2.gz PDRKWCGQXDHJAP-AWEZNQCLSA-N 1 0 302.399 3.694 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@@H]3CC[C@H]1C3)CC2 ZINC001172904705 1033437816 /nfs/dbraw/zinc/43/78/16/1033437816.db2.gz FTHCYIIJIIXJOR-BUIXCFAXSA-N 1 0 300.402 3.620 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC13CCCC3)CC2 ZINC001172902866 1033438147 /nfs/dbraw/zinc/43/81/47/1033438147.db2.gz MOHQXQOESXTORT-WBVHZDCISA-N 1 0 300.402 3.765 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+](CC1CC1)C1CC1)CC2 ZINC001172913944 1033461818 /nfs/dbraw/zinc/46/18/18/1033461818.db2.gz WIUJJGBDNZILAJ-INIZCTEOSA-N 1 0 300.402 3.717 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H](CF)C1)CC2 ZINC001172916527 1033464281 /nfs/dbraw/zinc/46/42/81/1033464281.db2.gz TXCOHBFKUBVYKL-CJNGLKHVSA-N 1 0 306.381 3.524 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@]3(CC3(F)F)C1)CC2 ZINC001172917694 1033465014 /nfs/dbraw/zinc/46/50/14/1033465014.db2.gz WLAVDUHSEFJPKS-ZBFHGGJFSA-N 1 0 322.355 3.573 20 5 DHBDRO C[N@H+](C[C@H]1CC1(C)C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919226 1033466006 /nfs/dbraw/zinc/46/60/06/1033466006.db2.gz FJXYRRBBRXOCFG-CVEARBPZSA-N 1 0 302.418 3.820 20 5 DHBDRO C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172922107 1033469920 /nfs/dbraw/zinc/46/99/20/1033469920.db2.gz VVDRAJYCFSKNDQ-CPUCHLNUSA-N 1 0 302.418 3.820 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC3(CCC3)C1)CC2 ZINC001172912671 1033484538 /nfs/dbraw/zinc/48/45/38/1033484538.db2.gz CDCRPUYGOQSSDT-MRXNPFEDSA-N 1 0 300.402 3.718 20 5 DHBDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173410370 1033503862 /nfs/dbraw/zinc/50/38/62/1033503862.db2.gz ZJVYZFXOIMDEBK-QWHCGFSZSA-N 1 0 302.378 3.784 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1F ZINC001173175914 1033581368 /nfs/dbraw/zinc/58/13/68/1033581368.db2.gz UXUMZFTWWQOZGA-SGMGOOAPSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(C)CCCCC2)c1F ZINC001173176072 1033581969 /nfs/dbraw/zinc/58/19/69/1033581969.db2.gz WVRHWXVASBOCOM-LBPRGKRZSA-N 1 0 324.396 3.986 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1F ZINC001173190928 1033584015 /nfs/dbraw/zinc/58/40/15/1033584015.db2.gz XRAHTWCNTUHFJO-AGIUHOORSA-N 1 0 324.396 3.794 20 5 DHBDRO CCCC[N@H+](CC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173186340 1033585036 /nfs/dbraw/zinc/58/50/36/1033585036.db2.gz REKJVGAIPGPVDC-GFCCVEGCSA-N 1 0 312.385 3.796 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2cccc(F)c2)CC1 ZINC001173216594 1033597953 /nfs/dbraw/zinc/59/79/53/1033597953.db2.gz DIYMDUQVNCQGBJ-CYBMUJFWSA-N 1 0 314.360 3.944 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001173220097 1033600336 /nfs/dbraw/zinc/60/03/36/1033600336.db2.gz TYUZTSDYEFGVSF-SCLBCKFNSA-N 1 0 311.385 3.662 20 5 DHBDRO COc1ccccc1C[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226003 1033603479 /nfs/dbraw/zinc/60/34/79/1033603479.db2.gz GYLPQSNMOUOKTK-AWEZNQCLSA-N 1 0 314.385 3.666 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001173224245 1033603531 /nfs/dbraw/zinc/60/35/31/1033603531.db2.gz DDMOHYXSQJCQOK-BXUZGUMPSA-N 1 0 316.323 3.595 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001173222000 1033603570 /nfs/dbraw/zinc/60/35/70/1033603570.db2.gz OFBUBUIRBKPDLN-BNOWGMLFSA-N 1 0 310.344 3.503 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001173224936 1033603862 /nfs/dbraw/zinc/60/38/62/1033603862.db2.gz PLUCISOETBDPQR-TZMCWYRMSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOc1ccccc1 ZINC001173228256 1033604757 /nfs/dbraw/zinc/60/47/57/1033604757.db2.gz UVGHAHQYFBWDNZ-HNNXBMFYSA-N 1 0 314.385 3.537 20 5 DHBDRO Cc1cc2c(cn1)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173226500 1033604798 /nfs/dbraw/zinc/60/47/98/1033604798.db2.gz XJBSRMOMNPOGLK-SCLBCKFNSA-N 1 0 311.385 3.506 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2sccc21 ZINC001173231083 1033606203 /nfs/dbraw/zinc/60/62/03/1033606203.db2.gz XHNBIOCHRKJTDA-ABAIWWIYSA-N 1 0 302.399 3.864 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001173228818 1033606253 /nfs/dbraw/zinc/60/62/53/1033606253.db2.gz ZACOQKQCJQDSLH-RDTXWAMCSA-N 1 0 311.385 3.758 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2ncccc21 ZINC001173232635 1033608211 /nfs/dbraw/zinc/60/82/11/1033608211.db2.gz FDROYJHGACTUIW-FZKQIMNGSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1Cc2cccc(F)c2C1 ZINC001173234862 1033608221 /nfs/dbraw/zinc/60/82/21/1033608221.db2.gz UKKRWVOCUVFTBB-GFCCVEGCSA-N 1 0 300.333 3.681 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1cccc(F)c1 ZINC001173233400 1033608656 /nfs/dbraw/zinc/60/86/56/1033608656.db2.gz WGMXRPSUNYBXOR-CQSZACIVSA-N 1 0 316.376 3.839 20 5 DHBDRO Cc1ccccc1OCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214201 1033615052 /nfs/dbraw/zinc/61/50/52/1033615052.db2.gz NACIOALKNKEQTI-OAHLLOKOSA-N 1 0 314.385 3.503 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000878356330 1033670106 /nfs/dbraw/zinc/67/01/06/1033670106.db2.gz UNCMCXGQLLVNSB-JSGCOSHPSA-N 1 0 306.406 3.839 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000878371615 1033678637 /nfs/dbraw/zinc/67/86/37/1033678637.db2.gz YLTQUUKEKXQWRP-HOTGVXAUSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173439050 1033708674 /nfs/dbraw/zinc/70/86/74/1033708674.db2.gz PSAOZHYWAUWUGK-KBXCAEBGSA-N 1 0 314.385 3.759 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC=C(c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000878617040 1033770291 /nfs/dbraw/zinc/77/02/91/1033770291.db2.gz HWCYNZDADDREMZ-UHFFFAOYSA-N 1 0 309.369 3.588 20 5 DHBDRO CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)C ZINC000878636710 1033778498 /nfs/dbraw/zinc/77/84/98/1033778498.db2.gz MMWBPVWFNGVAMO-UHFFFAOYSA-N 1 0 318.377 3.513 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1F ZINC000879672782 1034078962 /nfs/dbraw/zinc/07/89/62/1034078962.db2.gz VTRCKFKLAXIVFG-ZYHUDNBSSA-N 1 0 318.270 3.721 20 5 DHBDRO Cc1cncc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000879747200 1034110536 /nfs/dbraw/zinc/11/05/36/1034110536.db2.gz KHAHCUUPDMBBCW-GOSISDBHSA-N 1 0 311.385 3.678 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3nccs3)C2)ccc1Cl ZINC000880320347 1034297404 /nfs/dbraw/zinc/29/74/04/1034297404.db2.gz SLICSUUMDSVLHF-NSHDSACASA-N 1 0 323.805 3.694 20 5 DHBDRO CC(C)n1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000179320450 1034301628 /nfs/dbraw/zinc/30/16/28/1034301628.db2.gz LLMQDKBXLLKGBU-UHFFFAOYSA-N 1 0 316.405 3.783 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000880535452 1034351941 /nfs/dbraw/zinc/35/19/41/1034351941.db2.gz CPZVCYHZKFPPBF-ZOCIIQOWSA-N 1 0 324.380 3.563 20 5 DHBDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000183267340 1034367969 /nfs/dbraw/zinc/36/79/69/1034367969.db2.gz QVBFFEDAQHNDFI-STECZYCISA-N 1 0 316.401 3.593 20 5 DHBDRO Cc1ccc([C@H](C)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000480658306 1034378517 /nfs/dbraw/zinc/37/85/17/1034378517.db2.gz AWQRZOPEQBDETG-CVEARBPZSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1c([C@@H](C)N[C@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000480700321 1034411609 /nfs/dbraw/zinc/41/16/09/1034411609.db2.gz QPTSYBMXRUUJET-GDBMZVCRSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000183983652 1034432480 /nfs/dbraw/zinc/43/24/80/1034432480.db2.gz JICXQVKTSKFMHL-HOCLYGCPSA-N 1 0 306.406 3.903 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000184301000 1034462068 /nfs/dbraw/zinc/46/20/68/1034462068.db2.gz QGJRDCLHVKKVSX-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO COc1ccc(OCC[NH2+][C@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC000481187429 1034641864 /nfs/dbraw/zinc/64/18/64/1034641864.db2.gz ZSLJWPVEVIZUEU-INIZCTEOSA-N 1 0 322.405 3.541 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192852022 1034709644 /nfs/dbraw/zinc/70/96/44/1034709644.db2.gz OPMRAISCXKUBPN-PXAZEXFGSA-N 1 0 316.405 3.829 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@H](C3CC3)C1)CCC2 ZINC000193291636 1034839066 /nfs/dbraw/zinc/83/90/66/1034839066.db2.gz CEWBIVREJRSYPX-QGTPRVQTSA-N 1 0 316.401 3.519 20 5 DHBDRO COCCC(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193287352 1034841015 /nfs/dbraw/zinc/84/10/15/1034841015.db2.gz BQUKOUNEQTULTO-MRXNPFEDSA-N 1 0 306.406 3.625 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000555720959 1034874808 /nfs/dbraw/zinc/87/48/08/1034874808.db2.gz BLMYKAZIUQMOAA-LSDHHAIUSA-N 1 0 304.390 3.614 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000481677696 1034930991 /nfs/dbraw/zinc/93/09/91/1034930991.db2.gz PXJIDYRTUZZSTA-LJQANCHMSA-N 1 0 324.380 3.616 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000481976592 1035039501 /nfs/dbraw/zinc/03/95/01/1035039501.db2.gz ZYVGDHXZXASOHM-GOEBONIOSA-N 1 0 319.449 3.674 20 5 DHBDRO CC(C)[N@H+](CCc1nccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000159783039 1035088620 /nfs/dbraw/zinc/08/86/20/1035088620.db2.gz VYHUDMLKBZYJCU-UHFFFAOYSA-N 1 0 305.403 3.504 20 5 DHBDRO C[N+](C)(C)CCCO[C@H]1CCc2ccc(Br)cc21 ZINC001224624402 1035184544 /nfs/dbraw/zinc/18/45/44/1035184544.db2.gz VZVJAEWEXZNXQG-HNNXBMFYSA-N 1 0 313.259 3.549 20 5 DHBDRO Cc1cc2nc3ccc(N(C)C)cc3nc2cc1Nc1[nH]cc[nH+]1 ZINC001176084401 1035193342 /nfs/dbraw/zinc/19/33/42/1035193342.db2.gz OBJQDBXPBPHNLQ-UHFFFAOYSA-N 1 0 318.384 3.624 20 5 DHBDRO CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000482954620 1035205192 /nfs/dbraw/zinc/20/51/92/1035205192.db2.gz FDRVNKQHJLKRDX-GOEBONIOSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000483488493 1035273296 /nfs/dbraw/zinc/27/32/96/1035273296.db2.gz JOTIUDZUYPMLOF-HNNXBMFYSA-N 1 0 317.433 3.606 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000483725943 1035292308 /nfs/dbraw/zinc/29/23/08/1035292308.db2.gz IUKAIKMNOPPNMO-GUDXXQAFSA-N 1 0 318.417 3.757 20 5 DHBDRO Cc1noc(C[N@@H+]2CCCCC23CCCCCC3)c1[N+](=O)[O-] ZINC001176958877 1035340511 /nfs/dbraw/zinc/34/05/11/1035340511.db2.gz JOIUJWDXYLDHJG-UHFFFAOYSA-N 1 0 307.394 3.970 20 5 DHBDRO C[C@@]1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCS1 ZINC001179909456 1035549068 /nfs/dbraw/zinc/54/90/68/1035549068.db2.gz MLAABHPTXBSQPI-INIZCTEOSA-N 1 0 306.431 3.845 20 5 DHBDRO COc1cc(CN2CC[C@@H](C)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC001193208172 1035586512 /nfs/dbraw/zinc/58/65/12/1035586512.db2.gz BRPVSRHYROUHIA-LLVKDONJSA-N 1 0 310.369 3.611 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC001180081952 1035588704 /nfs/dbraw/zinc/58/87/04/1035588704.db2.gz OTVAHIZVLFHVJX-LLVKDONJSA-N 1 0 314.307 3.846 20 5 DHBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC001193249954 1035594474 /nfs/dbraw/zinc/59/44/74/1035594474.db2.gz PPIQYLMBJXHJMS-AWEZNQCLSA-N 1 0 306.406 3.922 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC(C)(C)CC[C@H]1C ZINC001180310643 1035641287 /nfs/dbraw/zinc/64/12/87/1035641287.db2.gz NKZPHTJJKPDJPT-DOMZBBRYSA-N 1 0 306.406 3.908 20 5 DHBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000190950037 1035647849 /nfs/dbraw/zinc/64/78/49/1035647849.db2.gz XNZALEFIKJSBCE-UKRRQHHQSA-N 1 0 316.357 3.512 20 5 DHBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001193664343 1035699397 /nfs/dbraw/zinc/69/93/97/1035699397.db2.gz YEXVTTSXZCXVAV-KBPBESRZSA-N 1 0 306.406 3.778 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1cccc(F)c1 ZINC001180497197 1035704229 /nfs/dbraw/zinc/70/42/29/1035704229.db2.gz DTIUEWQCGGFTRD-UHFFFAOYSA-N 1 0 302.349 3.983 20 5 DHBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089907260 1035784290 /nfs/dbraw/zinc/78/42/90/1035784290.db2.gz WKVKEDDWHOLWGN-QWHCGFSZSA-N 1 0 315.373 3.870 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000539667716 1035823696 /nfs/dbraw/zinc/82/36/96/1035823696.db2.gz JSWMMIBNBMFWNG-CJNGLKHVSA-N 1 0 312.369 3.558 20 5 DHBDRO C[C@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001181267927 1035880673 /nfs/dbraw/zinc/88/06/73/1035880673.db2.gz WOQQHJUBRWRWFK-RYUDHWBXSA-N 1 0 302.378 3.530 20 5 DHBDRO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540221629 1036019938 /nfs/dbraw/zinc/01/99/38/1036019938.db2.gz VDHRJWWGIQZTJR-OCCSQVGLSA-N 1 0 320.414 3.657 20 5 DHBDRO CC[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000494808364 1036027923 /nfs/dbraw/zinc/02/79/23/1036027923.db2.gz JYHKOFLRGRHMSI-CQSZACIVSA-N 1 0 312.797 3.543 20 5 DHBDRO CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000540411538 1036058271 /nfs/dbraw/zinc/05/82/71/1036058271.db2.gz PNLBGRRMQKSRCR-UHFFFAOYSA-N 1 0 318.348 3.638 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2[nH]1 ZINC000775627560 1036106045 /nfs/dbraw/zinc/10/60/45/1036106045.db2.gz JSTCPIKWMZDUFS-ZDUSSCGKSA-N 1 0 309.369 3.969 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595411420 1036138540 /nfs/dbraw/zinc/13/85/40/1036138540.db2.gz PLXCGLGZMMVGBZ-GFCCVEGCSA-N 1 0 318.348 3.983 20 5 DHBDRO Cc1noc(C[N@H+]2CC[C@@H](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595438910 1036159194 /nfs/dbraw/zinc/15/91/94/1036159194.db2.gz JYTYDWCWDOIFNO-GFCCVEGCSA-N 1 0 307.394 3.684 20 5 DHBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2ccoc2c(Br)c1 ZINC001234639010 1036203989 /nfs/dbraw/zinc/20/39/89/1036203989.db2.gz SFVCFSKSSTWMPW-JTQLQIEISA-N 1 0 313.215 3.669 20 5 DHBDRO Cc1noc(C[N@@H+]2CC[C@@H]([C@@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000595558958 1036235043 /nfs/dbraw/zinc/23/50/43/1036235043.db2.gz RMDKHNONOLJFMC-OLZOCXBDSA-N 1 0 307.394 3.539 20 5 DHBDRO Cc1ncc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000774265463 1036266611 /nfs/dbraw/zinc/26/66/11/1036266611.db2.gz MWMMNCLMYQLLTC-MRXNPFEDSA-N 1 0 317.414 3.569 20 5 DHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000774520037 1036393420 /nfs/dbraw/zinc/39/34/20/1036393420.db2.gz YGHDFOMULAJOAR-MGPQQGTHSA-N 1 0 321.396 3.576 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000541772462 1036427751 /nfs/dbraw/zinc/42/77/51/1036427751.db2.gz AIOMIDPWBQWKBL-GOSISDBHSA-N 1 0 318.417 3.827 20 5 DHBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1C ZINC001182815499 1036464451 /nfs/dbraw/zinc/46/44/51/1036464451.db2.gz DQUHCGZOVCNBBY-UHFFFAOYSA-N 1 0 302.349 3.683 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000271840151 1036566145 /nfs/dbraw/zinc/56/61/45/1036566145.db2.gz BJUGWUNYNDEEJI-KGLIPLIRSA-N 1 0 314.385 3.807 20 5 DHBDRO CC(C)[C@H](C)[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636490 1036601197 /nfs/dbraw/zinc/60/11/97/1036601197.db2.gz UYPTWFAKTAULMQ-JTQLQIEISA-N 1 0 310.785 3.532 20 5 DHBDRO Cc1nn(C[NH+](CC(C)(C)C)CC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000774642718 1036611695 /nfs/dbraw/zinc/61/16/95/1036611695.db2.gz OPTKQGGEUOBRET-UHFFFAOYSA-N 1 0 310.442 3.760 20 5 DHBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000495402026 1036612461 /nfs/dbraw/zinc/61/24/61/1036612461.db2.gz PEDFQXYYQRWWIX-GJZGRUSLSA-N 1 0 314.385 3.755 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000495416029 1036624507 /nfs/dbraw/zinc/62/45/07/1036624507.db2.gz WEUSWHSZTPQYIT-XJKSGUPXSA-N 1 0 320.433 3.852 20 5 DHBDRO CC(C)[C@H](C)[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000915207963 1036705250 /nfs/dbraw/zinc/70/52/50/1036705250.db2.gz AHCJEWVYRLKDFH-JTQLQIEISA-N 1 0 309.391 3.806 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)c2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC001197231033 1036714768 /nfs/dbraw/zinc/71/47/68/1036714768.db2.gz TUXOTMWHGPNCEU-GFCCVEGCSA-N 1 0 311.341 3.895 20 5 DHBDRO COc1cc(C[N@H+](C)C[C@H](C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001197602141 1036817614 /nfs/dbraw/zinc/81/76/14/1036817614.db2.gz OCUOCRYDPQXIEE-NSHDSACASA-N 1 0 312.385 3.857 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3C[C@@H]3C3CCCC3)nc2c1 ZINC001184388402 1036831003 /nfs/dbraw/zinc/83/10/03/1036831003.db2.gz QDCAGYVGQAHVDM-TZMCWYRMSA-N 1 0 315.373 3.652 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCCC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000492556454 1036919269 /nfs/dbraw/zinc/91/92/69/1036919269.db2.gz FZBPVPQNXHIZND-AWEZNQCLSA-N 1 0 324.446 3.711 20 5 DHBDRO C[C@@H](COCC1CCCCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001198000819 1036922930 /nfs/dbraw/zinc/92/29/30/1036922930.db2.gz KASGFFHCSMZOPF-AWEZNQCLSA-N 1 0 306.406 3.670 20 5 DHBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)[NH+](C)C ZINC001184740482 1036943863 /nfs/dbraw/zinc/94/38/63/1036943863.db2.gz QNUHTOSFCJYEOV-LBPRGKRZSA-N 1 0 315.364 3.921 20 5 DHBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774863494 1037131518 /nfs/dbraw/zinc/13/15/18/1037131518.db2.gz NRNKXDOOEUULSZ-CQSZACIVSA-N 1 0 321.377 3.904 20 5 DHBDRO COc1ccc(C[N@@H+]2CC=CC23CCCCC3)cc1[N+](=O)[O-] ZINC001198800982 1037138742 /nfs/dbraw/zinc/13/87/42/1037138742.db2.gz PCUZVCJYHBSAMZ-UHFFFAOYSA-N 1 0 302.374 3.678 20 5 DHBDRO CC1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774910275 1037203334 /nfs/dbraw/zinc/20/33/34/1037203334.db2.gz VCLVVQVUSSNKCD-UHFFFAOYSA-N 1 0 307.350 3.515 20 5 DHBDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000775052445 1037499391 /nfs/dbraw/zinc/49/93/91/1037499391.db2.gz DHJRFZABHSYDCG-MLGOLLRUSA-N 1 0 319.361 3.515 20 5 DHBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC001186872265 1037510809 /nfs/dbraw/zinc/51/08/09/1037510809.db2.gz LQQSXBJBVNAUGU-GJZGRUSLSA-N 1 0 309.797 3.677 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000494018065 1037621390 /nfs/dbraw/zinc/62/13/90/1037621390.db2.gz BQEAQJKWTGIKOD-LRVUVFPRSA-N 1 0 306.406 3.900 20 5 DHBDRO CCS[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000490397653 1037703192 /nfs/dbraw/zinc/70/31/92/1037703192.db2.gz IUZBMXYUNNEFTG-AWEZNQCLSA-N 1 0 312.410 3.842 20 5 DHBDRO Nc1cc(CCCCNc2cc(Cl)ccc2[N+](=O)[O-])cc[nH+]1 ZINC001187739803 1037715811 /nfs/dbraw/zinc/71/58/11/1037715811.db2.gz JZCYIDQYUCCXKO-UHFFFAOYSA-N 1 0 320.780 3.660 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001201920369 1037938892 /nfs/dbraw/zinc/93/88/92/1037938892.db2.gz QNBDTLFPWVZZRD-NSHDSACASA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC001201920368 1037939778 /nfs/dbraw/zinc/93/97/78/1037939778.db2.gz QNBDTLFPWVZZRD-LLVKDONJSA-N 1 0 305.403 3.561 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000570983714 1038063168 /nfs/dbraw/zinc/06/31/68/1038063168.db2.gz PAQAVJHPJODWLG-QGZVFWFLSA-N 1 0 316.401 3.758 20 5 DHBDRO CCN(c1ccc(Nc2cccnc2[N+](=O)[O-])cc1)C(C)C ZINC000916976813 1038100823 /nfs/dbraw/zinc/10/08/23/1038100823.db2.gz GWHQJULZOSXXIL-UHFFFAOYSA-N 1 0 300.362 3.968 20 5 DHBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000494503910 1038125472 /nfs/dbraw/zinc/12/54/72/1038125472.db2.gz HMFFPAQLTBXOBO-KBXCAEBGSA-N 1 0 314.385 3.769 20 5 DHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000164537528 1038205430 /nfs/dbraw/zinc/20/54/30/1038205430.db2.gz KRKJEKIYLICCJG-CYBMUJFWSA-N 1 0 321.421 3.598 20 5 DHBDRO CC[C@H](C)[NH2+][C@@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000588067105 1038225360 /nfs/dbraw/zinc/22/53/60/1038225360.db2.gz TXZYQDVJOGTZHZ-QWRGUYRKSA-N 1 0 309.391 3.791 20 5 DHBDRO CC[C@@H](C)[C@H](C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001190911986 1038406729 /nfs/dbraw/zinc/40/67/29/1038406729.db2.gz AFPQGVUBKJXXKZ-KGLIPLIRSA-N 1 0 306.406 3.873 20 5 DHBDRO CCC[NH+]1CCC(CNc2cccc(OCC)c2[N+](=O)[O-])CC1 ZINC000589568933 1038506725 /nfs/dbraw/zinc/50/67/25/1038506725.db2.gz HVHLESWBMSOMKD-UHFFFAOYSA-N 1 0 321.421 3.527 20 5 DHBDRO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000080468501 1038509867 /nfs/dbraw/zinc/50/98/67/1038509867.db2.gz SRIHKYUOONKRKE-CZUORRHYSA-N 1 0 307.438 3.612 20 5 DHBDRO C[C@H](Nc1ccc([N+](=O)[O-])s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000589598057 1038522141 /nfs/dbraw/zinc/52/21/41/1038522141.db2.gz KSWMRCDPLRCHGF-NHYWBVRUSA-N 1 0 305.403 3.760 20 5 DHBDRO CC1(C)CCC[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC001191683627 1038533524 /nfs/dbraw/zinc/53/35/24/1038533524.db2.gz ZOBQQJQSWKGOKX-KRWDZBQOSA-N 1 0 318.417 3.907 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cs1 ZINC000589743974 1038535771 /nfs/dbraw/zinc/53/57/71/1038535771.db2.gz VKOWHAMJPSQMSM-RBSFLKMASA-N 1 0 324.446 3.562 20 5 DHBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001192173259 1038597415 /nfs/dbraw/zinc/59/74/15/1038597415.db2.gz HLALPGJZLCQODO-PBHICJAKSA-N 1 0 306.406 3.874 20 5 DHBDRO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000590757627 1038700016 /nfs/dbraw/zinc/70/00/16/1038700016.db2.gz RZMHAUGXXYHSBQ-OAHLLOKOSA-N 1 0 315.373 3.579 20 5 DHBDRO COc1cc(C)ccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573020261 1038735603 /nfs/dbraw/zinc/73/56/03/1038735603.db2.gz FSMAUBAYWYZLDW-INIZCTEOSA-N 1 0 312.369 3.689 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c(C)c1 ZINC000573020688 1038736607 /nfs/dbraw/zinc/73/66/07/1038736607.db2.gz TUMNFDBKRRCIQI-KRWDZBQOSA-N 1 0 312.369 3.689 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCOc2ccccc2)cc1[N+](=O)[O-] ZINC000061013797 1038860875 /nfs/dbraw/zinc/86/08/75/1038860875.db2.gz NJCLNIJPNJTEBL-UHFFFAOYSA-N 1 0 314.385 3.887 20 5 DHBDRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593621594 1038885045 /nfs/dbraw/zinc/88/50/45/1038885045.db2.gz OQKCZFVAWRTRMC-GOEBONIOSA-N 1 0 302.378 3.530 20 5 DHBDRO CC[C@@H](C)C[N@H+](CC)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761294729 1038942441 /nfs/dbraw/zinc/94/24/41/1038942441.db2.gz ZORDTKGHJBPOCS-GFCCVEGCSA-N 1 0 304.394 3.578 20 5 DHBDRO CCC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599055980 1039016297 /nfs/dbraw/zinc/01/62/97/1039016297.db2.gz FVBOCOMDXHHTKP-YOEHRIQHSA-N 1 0 306.406 3.842 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000599075008 1039030949 /nfs/dbraw/zinc/03/09/49/1039030949.db2.gz ZNASPFKFWVYSRR-WMLDXEAASA-N 1 0 317.433 3.571 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1(CO)CCC1)CCCC2 ZINC000593718487 1039100445 /nfs/dbraw/zinc/10/04/45/1039100445.db2.gz HZUBQYVXSUKNEQ-QGZVFWFLSA-N 1 0 318.417 3.505 20 5 DHBDRO CC(C)CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131245 1039125620 /nfs/dbraw/zinc/12/56/20/1039125620.db2.gz URQVHHVRZBNDEF-QAQDUYKDSA-N 1 0 320.433 3.746 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183144 1039163438 /nfs/dbraw/zinc/16/34/38/1039163438.db2.gz RURKPMQXSBNOEL-KBPBESRZSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592181773 1039163898 /nfs/dbraw/zinc/16/38/98/1039163898.db2.gz HUXBUABTYYJEOY-UONOGXRCSA-N 1 0 304.390 3.547 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183970 1039171695 /nfs/dbraw/zinc/17/16/95/1039171695.db2.gz MQCNYCKYRDTVQG-HUUCEWRRSA-N 1 0 318.417 3.855 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592392411 1039175745 /nfs/dbraw/zinc/17/57/45/1039175745.db2.gz RSABKKNLTWLSOY-MNOVXSKESA-N 1 0 316.348 3.935 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC[C@H]3C3CCC3)nc2c1 ZINC000592197410 1039181158 /nfs/dbraw/zinc/18/11/58/1039181158.db2.gz CBSNUROMCMRDDG-INIZCTEOSA-N 1 0 314.389 3.626 20 5 DHBDRO O=[N+]([O-])c1ccccc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603855079 1039189448 /nfs/dbraw/zinc/18/94/48/1039189448.db2.gz ASGGGHHMCPTJKV-UHFFFAOYSA-N 1 0 317.433 3.687 20 5 DHBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000573985075 1039193926 /nfs/dbraw/zinc/19/39/26/1039193926.db2.gz MPOFCJAKOXCHFV-VHSXEESVSA-N 1 0 302.296 3.844 20 5 DHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000603859670 1039194855 /nfs/dbraw/zinc/19/48/55/1039194855.db2.gz QOHSVNPFYYXICG-CHWSQXEVSA-N 1 0 309.385 3.514 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c(Cl)c1 ZINC000599552623 1039212205 /nfs/dbraw/zinc/21/22/05/1039212205.db2.gz GPXNMSGKSLGBGG-OLZOCXBDSA-N 1 0 312.822 3.718 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000604013227 1039279666 /nfs/dbraw/zinc/27/96/66/1039279666.db2.gz TXWXRJSSYAGGLA-QGZVFWFLSA-N 1 0 304.390 3.628 20 5 DHBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000604011989 1039280748 /nfs/dbraw/zinc/28/07/48/1039280748.db2.gz BLTKHOJNEAXEBD-UHFFFAOYSA-N 1 0 314.385 3.886 20 5 DHBDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000604419169 1039472258 /nfs/dbraw/zinc/47/22/58/1039472258.db2.gz YYOIITBPVLBTDH-OAHLLOKOSA-N 1 0 314.385 3.769 20 5 DHBDRO CCC(CC)[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000604434806 1039474009 /nfs/dbraw/zinc/47/40/09/1039474009.db2.gz PSVUEBROQXMZOQ-UHFFFAOYSA-N 1 0 320.389 3.614 20 5 DHBDRO O=[N+]([O-])c1ccccc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046479238 1039681058 /nfs/dbraw/zinc/68/10/58/1039681058.db2.gz VSRFUGGSSGKMGE-UHFFFAOYSA-N 1 0 311.385 3.803 20 5 DHBDRO CC(C)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594498903 1039801099 /nfs/dbraw/zinc/80/10/99/1039801099.db2.gz NAUMAAFUBYRBAW-RDJZCZTQSA-N 1 0 318.417 3.767 20 5 DHBDRO CCOc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505440 1039803478 /nfs/dbraw/zinc/80/34/78/1039803478.db2.gz VBHVOPZPJFECSC-MRXNPFEDSA-N 1 0 312.369 3.771 20 5 DHBDRO Cc1cnc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000594509739 1039812711 /nfs/dbraw/zinc/81/27/11/1039812711.db2.gz LZBZNNALMKMACF-OAHLLOKOSA-N 1 0 313.401 3.808 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccccn1 ZINC000594514961 1039815257 /nfs/dbraw/zinc/81/52/57/1039815257.db2.gz NKSLUTRJKVYZGB-CABCVRRESA-N 1 0 313.401 3.532 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000594519709 1039824354 /nfs/dbraw/zinc/82/43/54/1039824354.db2.gz SSWATBGHUHRDCE-MGPQQGTHSA-N 1 0 306.406 3.900 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)Cc1ccccn1 ZINC000594520041 1039826590 /nfs/dbraw/zinc/82/65/90/1039826590.db2.gz YGMKQOGLBSAKQX-BAAYTWLHSA-N 1 0 311.385 3.614 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594522525 1039828979 /nfs/dbraw/zinc/82/89/79/1039828979.db2.gz ZCKJFLPTPCFEMI-RCCFBDPRSA-N 1 0 317.433 3.652 20 5 DHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000594970306 1039947654 /nfs/dbraw/zinc/94/76/54/1039947654.db2.gz XVUGRIQXZHSQFI-SAZUREKKSA-N 1 0 316.357 3.512 20 5 DHBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000059391546 1039952356 /nfs/dbraw/zinc/95/23/56/1039952356.db2.gz ZWJSNPQZLPRHCE-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027736 1039956700 /nfs/dbraw/zinc/95/67/00/1039956700.db2.gz ZFXLKPYNJPRCOU-PBHICJAKSA-N 1 0 318.417 3.998 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000594957909 1039963932 /nfs/dbraw/zinc/96/39/32/1039963932.db2.gz WTOLUYWZKJSSOY-ZGUWOUCSSA-N 1 0 318.417 3.793 20 5 DHBDRO CCO[C@H](CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595010967 1039972984 /nfs/dbraw/zinc/97/29/84/1039972984.db2.gz FCSWNHVLIOXPIR-XJKSGUPXSA-N 1 0 324.421 3.705 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000595022534 1039985913 /nfs/dbraw/zinc/98/59/13/1039985913.db2.gz MKMOGVFYUWJWLU-QWRGUYRKSA-N 1 0 314.332 3.832 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCC(F)(F)C1 ZINC000595022533 1039986054 /nfs/dbraw/zinc/98/60/54/1039986054.db2.gz MKMOGVFYUWJWLU-MNOVXSKESA-N 1 0 314.332 3.832 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000594983796 1040000108 /nfs/dbraw/zinc/00/01/08/1040000108.db2.gz NXGHLNLIJBVNSP-UHFFFAOYSA-N 1 0 310.344 3.961 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000594984497 1040001707 /nfs/dbraw/zinc/00/17/07/1040001707.db2.gz IQGQZIFRKRRDCE-QGRJPZFESA-N 1 0 304.390 3.545 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC3(CC3(F)F)CC2)cs1 ZINC000594983820 1040001931 /nfs/dbraw/zinc/00/19/31/1040001931.db2.gz OKQNYNCYRQARLJ-UHFFFAOYSA-N 1 0 302.346 3.714 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000595002971 1040013692 /nfs/dbraw/zinc/01/36/92/1040013692.db2.gz AJVCWWFBAWXFNI-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000595056653 1040022840 /nfs/dbraw/zinc/02/28/40/1040022840.db2.gz PAZVEVOZHVVGKW-DZGCQCFKSA-N 1 0 306.406 3.759 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000595056654 1040023526 /nfs/dbraw/zinc/02/35/26/1040023526.db2.gz PAZVEVOZHVVGKW-HIFRSBDPSA-N 1 0 306.406 3.759 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1cnccc1C)c1cccc([N+](=O)[O-])c1 ZINC000595072125 1040033924 /nfs/dbraw/zinc/03/39/24/1040033924.db2.gz FZUBGGMUMQIAHN-GOSISDBHSA-N 1 0 313.401 3.972 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCCSC ZINC000595033421 1040040703 /nfs/dbraw/zinc/04/07/03/1040040703.db2.gz QCOWFGFNBVOTHE-LBPRGKRZSA-N 1 0 312.435 3.787 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000595042214 1040045724 /nfs/dbraw/zinc/04/57/24/1040045724.db2.gz QUBJWYHCDOUQAS-GHMZBOCLSA-N 1 0 314.332 3.689 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC(C)(C)C1 ZINC000595047945 1040050568 /nfs/dbraw/zinc/05/05/68/1040050568.db2.gz INUKWNZXWMJLDL-QWHCGFSZSA-N 1 0 324.446 3.623 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1ccccn1 ZINC000595049699 1040050626 /nfs/dbraw/zinc/05/06/26/1040050626.db2.gz NKBSWKLLKQAMDC-HUUCEWRRSA-N 1 0 313.401 3.704 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595108508 1040070942 /nfs/dbraw/zinc/07/09/42/1040070942.db2.gz QUSYFISCOYXQQJ-HOCLYGCPSA-N 1 0 306.406 3.841 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000595079275 1040071650 /nfs/dbraw/zinc/07/16/50/1040071650.db2.gz JLMKXLRLBOLRMS-VNHYZAJKSA-N 1 0 322.405 3.602 20 5 DHBDRO C[C@]1(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(F)F ZINC000595082419 1040073879 /nfs/dbraw/zinc/07/38/79/1040073879.db2.gz ZTGNZAMOXTUGFV-ZBFHGGJFSA-N 1 0 324.371 3.941 20 5 DHBDRO CCSC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595090786 1040075771 /nfs/dbraw/zinc/07/57/71/1040075771.db2.gz FZSXVBVGDXIBIB-HNNXBMFYSA-N 1 0 306.431 3.848 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000595087620 1040075797 /nfs/dbraw/zinc/07/57/97/1040075797.db2.gz NGSKVFBEZPKAQQ-WBVHZDCISA-N 1 0 314.385 3.731 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCc1ccco1)C1CC1 ZINC000595094250 1040078716 /nfs/dbraw/zinc/07/87/16/1040078716.db2.gz SVZYEABQPOKFLM-QGZVFWFLSA-N 1 0 314.385 3.731 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000595327813 1040097786 /nfs/dbraw/zinc/09/77/86/1040097786.db2.gz SGESCYQOHABNGJ-MRXNPFEDSA-N 1 0 322.380 3.658 20 5 DHBDRO Cc1noc(C[N@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595323571 1040108828 /nfs/dbraw/zinc/10/88/28/1040108828.db2.gz ZKJKAIRKRVOLBB-JSGCOSHPSA-N 1 0 315.373 3.578 20 5 DHBDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595377401 1040127493 /nfs/dbraw/zinc/12/74/93/1040127493.db2.gz NHUBLGDQQIJJGT-NSHDSACASA-N 1 0 300.399 3.697 20 5 DHBDRO Cc1noc(C[N@H+]2C[C@H](c3ccc(C)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595479628 1040150678 /nfs/dbraw/zinc/15/06/78/1040150678.db2.gz GAVFXZPOIFXNLC-IUODEOHRSA-N 1 0 315.373 3.578 20 5 DHBDRO Cc1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)o1 ZINC000595522057 1040159824 /nfs/dbraw/zinc/15/98/24/1040159824.db2.gz IEMLGTMHVKNMDG-OAHLLOKOSA-N 1 0 315.373 3.579 20 5 DHBDRO CC[C@@H](C)[N@H+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595600868 1040201616 /nfs/dbraw/zinc/20/16/16/1040201616.db2.gz QGQMOKNWAUDFRC-GFCCVEGCSA-N 1 0 303.362 3.870 20 5 DHBDRO Cc1noc(CN[C@@H](c2ccccc2F)C(C)C)c1[N+](=O)[O-] ZINC000595689902 1040218663 /nfs/dbraw/zinc/21/86/63/1040218663.db2.gz FLOMYAVUSLXPBH-CQSZACIVSA-N 1 0 307.325 3.517 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000595764885 1040235872 /nfs/dbraw/zinc/23/58/72/1040235872.db2.gz FYZCRYIBGYNYFK-ZDUSSCGKSA-N 1 0 302.296 3.892 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000595819253 1040249174 /nfs/dbraw/zinc/24/91/74/1040249174.db2.gz MYFOYFDZCWGYEL-DCBWTQNWSA-N 1 0 310.369 3.610 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595786424 1040254176 /nfs/dbraw/zinc/25/41/76/1040254176.db2.gz ABWJJNLNMRRKSG-VKJFTORMSA-N 1 0 318.417 3.937 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595788268 1040256718 /nfs/dbraw/zinc/25/67/18/1040256718.db2.gz HXAVPYIEVWQWRP-KYJSFNMBSA-N 1 0 318.417 3.937 20 5 DHBDRO CSC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000227944522 1040549709 /nfs/dbraw/zinc/54/97/09/1040549709.db2.gz ZZLJKQLXTFLNBP-UHFFFAOYSA-N 1 0 300.811 3.624 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000597224399 1040703391 /nfs/dbraw/zinc/70/33/91/1040703391.db2.gz ICAMMXRHGMJUDJ-GOSISDBHSA-N 1 0 318.417 3.684 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122131845 1040979564 /nfs/dbraw/zinc/97/95/64/1040979564.db2.gz DFOBAJVBYGWPIH-KDOFPFPSSA-N 1 0 313.401 3.548 20 5 DHBDRO CC(C)[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000602573628 1041103558 /nfs/dbraw/zinc/10/35/58/1041103558.db2.gz SWRCBORBBYNOFE-GOSISDBHSA-N 1 0 313.401 3.562 20 5 DHBDRO CCC([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)(C1CC1)C1CC1 ZINC000602720587 1041176182 /nfs/dbraw/zinc/17/61/82/1041176182.db2.gz LICXZBWMFWXTKY-UHFFFAOYSA-N 1 0 315.373 3.794 20 5 DHBDRO Cn1cc(C[NH2+][C@H](CC(C)(C)C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602798885 1041220635 /nfs/dbraw/zinc/22/06/35/1041220635.db2.gz GWSOYVJDGOODHW-OAHLLOKOSA-N 1 0 316.405 3.595 20 5 DHBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000602846143 1041275322 /nfs/dbraw/zinc/27/53/22/1041275322.db2.gz NDBMLJCRTVWMAO-GFCCVEGCSA-N 1 0 322.434 3.633 20 5 DHBDRO CCCc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000598630245 1041367807 /nfs/dbraw/zinc/36/78/07/1041367807.db2.gz DUSZOAJBRKZSIO-UHFFFAOYSA-N 1 0 320.414 3.907 20 5 DHBDRO CC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000296151214 535207029 /nfs/dbraw/zinc/20/70/29/535207029.db2.gz VWTBWPNSABELGV-TZMCWYRMSA-N 1 0 312.360 3.941 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000186753911 200004322 /nfs/dbraw/zinc/00/43/22/200004322.db2.gz SRCXHKPDLCYHPZ-RISCZKNCSA-N 1 0 305.403 3.896 20 5 DHBDRO CCOc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000042976780 183325490 /nfs/dbraw/zinc/32/54/90/183325490.db2.gz CUOMYHOCOSEOQH-UHFFFAOYSA-N 1 0 300.358 3.626 20 5 DHBDRO COc1ccccc1C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000103483933 193936286 /nfs/dbraw/zinc/93/62/86/193936286.db2.gz CSSQWXWYUWZXRY-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000271571832 129937184 /nfs/dbraw/zinc/93/71/84/129937184.db2.gz YUKWFGOFQNWHLQ-HOCLYGCPSA-N 1 0 318.417 3.607 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000272130467 130001002 /nfs/dbraw/zinc/00/10/02/130001002.db2.gz WKIVEDHBWVULRW-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000272409645 130028008 /nfs/dbraw/zinc/02/80/08/130028008.db2.gz FOQPBSMSGHVPKD-KGLIPLIRSA-N 1 0 314.389 3.567 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000275638653 130353632 /nfs/dbraw/zinc/35/36/32/130353632.db2.gz RRARGTSEUWWGEW-CHWSQXEVSA-N 1 0 316.323 3.848 20 5 DHBDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000280497698 130804666 /nfs/dbraw/zinc/80/46/66/130804666.db2.gz MRWAAGZRCPRZKP-PBHICJAKSA-N 1 0 306.406 3.855 20 5 DHBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282146534 130903542 /nfs/dbraw/zinc/90/35/42/130903542.db2.gz SHVJWHFHTYPKQO-DOMZBBRYSA-N 1 0 315.373 3.571 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000284697374 131104436 /nfs/dbraw/zinc/10/44/36/131104436.db2.gz HWJZBWXHTYYTFC-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO Cc1ccnc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000286181844 131223629 /nfs/dbraw/zinc/22/36/29/131223629.db2.gz QIRGXYKOJNEJIU-LBPRGKRZSA-N 1 0 319.792 3.845 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000289269839 131370107 /nfs/dbraw/zinc/37/01/07/131370107.db2.gz DYOCVTVPHWJNHC-QGZVFWFLSA-N 1 0 311.385 3.678 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000298988859 132085214 /nfs/dbraw/zinc/08/52/14/132085214.db2.gz PUQZEQOERXSJKF-KSSFIOAISA-N 1 0 314.385 3.678 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000189894312 335092898 /nfs/dbraw/zinc/09/28/98/335092898.db2.gz RSJVUKYYUPPIST-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000557254367 331778670 /nfs/dbraw/zinc/77/86/70/331778670.db2.gz BFQNGCVZORYQCI-GFCCVEGCSA-N 1 0 320.776 3.978 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090224702 331822504 /nfs/dbraw/zinc/82/25/04/331822504.db2.gz GYPPFDGNQIBUTD-KRWDZBQOSA-N 1 0 300.358 3.844 20 5 DHBDRO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000262083257 332019054 /nfs/dbraw/zinc/01/90/54/332019054.db2.gz HFQRXAALZXNBTF-YCPHGPKFSA-N 1 0 305.422 3.556 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000584292314 332220716 /nfs/dbraw/zinc/22/07/16/332220716.db2.gz GFXYTLHLCIRJOF-MZLJFPOFSA-N 1 0 316.401 3.642 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000584292311 332220779 /nfs/dbraw/zinc/22/07/79/332220779.db2.gz GFXYTLHLCIRJOF-AAWPKVBNSA-N 1 0 316.401 3.642 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccccc1F ZINC000566476505 332442874 /nfs/dbraw/zinc/44/28/74/332442874.db2.gz YYKFSZYBCYOTAM-INIZCTEOSA-N 1 0 300.333 3.554 20 5 DHBDRO COCCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000151017108 332479990 /nfs/dbraw/zinc/47/99/90/332479990.db2.gz DJJAYTOEKSZPOB-AWEZNQCLSA-N 1 0 306.406 3.842 20 5 DHBDRO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000187059199 332955087 /nfs/dbraw/zinc/95/50/87/332955087.db2.gz BWUDWJVOJOCZJA-QWHCGFSZSA-N 1 0 315.373 3.719 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000518763444 333007012 /nfs/dbraw/zinc/00/70/12/333007012.db2.gz LJPDSAPKHZKGCG-OAHLLOKOSA-N 1 0 319.449 3.682 20 5 DHBDRO CO[C@@](C)(C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000462815416 333118723 /nfs/dbraw/zinc/11/87/23/333118723.db2.gz CZMNCOMDTGMOTB-WMZOPIPTSA-N 1 0 318.417 3.722 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000582132217 333152549 /nfs/dbraw/zinc/15/25/49/333152549.db2.gz FBEUMJFXZXEQSH-SCTDSRPQSA-N 1 0 324.380 3.702 20 5 DHBDRO CCC[C@H](NC1CC[NH+](CCC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120711095 333307133 /nfs/dbraw/zinc/30/71/33/333307133.db2.gz WNNQFETVTZDAGJ-SFHVURJKSA-N 1 0 319.449 3.900 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000531213771 333335275 /nfs/dbraw/zinc/33/52/75/333335275.db2.gz PUQLCGYUUGNVOZ-VBHSOAQHSA-N 1 0 312.369 3.638 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000323534480 333366061 /nfs/dbraw/zinc/36/60/61/333366061.db2.gz YAJXIVHNUPKQMG-ZDUSSCGKSA-N 1 0 314.385 3.633 20 5 DHBDRO C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000188662385 333384503 /nfs/dbraw/zinc/38/45/03/333384503.db2.gz WCYCIJGQORXQLS-SUMWQHHRSA-N 1 0 306.406 3.577 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000526063206 333390261 /nfs/dbraw/zinc/39/02/61/333390261.db2.gz QDAXVEIQMDNKKN-OBFMZJQYSA-N 1 0 306.431 3.824 20 5 DHBDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000391426400 333497622 /nfs/dbraw/zinc/49/76/22/333497622.db2.gz XMEZWFYTYBVQMB-UHFFFAOYSA-N 1 0 309.369 3.685 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000098124418 333507899 /nfs/dbraw/zinc/50/78/99/333507899.db2.gz LUIKHHBOOAJHJE-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO COc1ccc(C)cc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000531688854 333545109 /nfs/dbraw/zinc/54/51/09/333545109.db2.gz AUVNSOFNTJCWLU-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419813 333603182 /nfs/dbraw/zinc/60/31/82/333603182.db2.gz ZIECWGFHGNGDBG-SKDRFNHKSA-N 1 0 302.296 3.903 20 5 DHBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CO2 ZINC000563419505 333603208 /nfs/dbraw/zinc/60/32/08/333603208.db2.gz XTEAGYXWDLUHSE-JKSUJKDBSA-N 1 0 310.353 3.614 20 5 DHBDRO COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563549162 333622578 /nfs/dbraw/zinc/62/25/78/333622578.db2.gz OZTGZQQFAXBXFB-SJORKVTESA-N 1 0 324.380 3.868 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000414234315 333927770 /nfs/dbraw/zinc/92/77/70/333927770.db2.gz IYFKXLDAYTZKBL-XNJGSVPQSA-N 1 0 306.406 3.757 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000414343329 333942858 /nfs/dbraw/zinc/94/28/58/333942858.db2.gz JPXCVEFLUSOHHB-IACUBPJLSA-N 1 0 316.357 3.793 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cnccc1C(C)(C)C ZINC000414505048 334000516 /nfs/dbraw/zinc/00/05/16/334000516.db2.gz ZGUZMNNBJPDDBJ-UHFFFAOYSA-N 1 0 313.401 3.886 20 5 DHBDRO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295965494 334228875 /nfs/dbraw/zinc/22/88/75/334228875.db2.gz IBUOMYZXWGVTLB-LBPRGKRZSA-N 1 0 302.378 3.531 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N1CCC[C@H](C)C1 ZINC000531937943 334295847 /nfs/dbraw/zinc/29/58/47/334295847.db2.gz ZFLMOJVPHOXSIH-BPUTZDHNSA-N 1 0 319.449 3.674 20 5 DHBDRO C[N@H+](CCCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000534601033 334296360 /nfs/dbraw/zinc/29/63/60/334296360.db2.gz QPQHFVCLHMAEIK-UHFFFAOYSA-N 1 0 302.349 3.799 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN(C)c1ccccc1 ZINC000303317513 334316580 /nfs/dbraw/zinc/31/65/80/334316580.db2.gz SNLJLTVFUZRKPU-OAHLLOKOSA-N 1 0 313.401 3.724 20 5 DHBDRO CC[C@H](O)CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311390 334705025 /nfs/dbraw/zinc/70/50/25/334705025.db2.gz OTEZXIUANSYGRG-DOTOQJQBSA-N 1 0 306.406 3.503 20 5 DHBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311530 334705043 /nfs/dbraw/zinc/70/50/43/334705043.db2.gz OYMFLWKNFNWAKH-SUMWQHHRSA-N 1 0 320.433 3.749 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)CCCC2 ZINC000417342811 334705739 /nfs/dbraw/zinc/70/57/39/334705739.db2.gz NHMNTHAXWSERNL-BMGDILEWSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1COCc3ccccc31)CCC2 ZINC000417373958 334764915 /nfs/dbraw/zinc/76/49/15/334764915.db2.gz YPVIOSIALYUBOM-MOPGFXCFSA-N 1 0 324.380 3.833 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000160493094 334874621 /nfs/dbraw/zinc/87/46/21/334874621.db2.gz BGSZSALVGXLREI-CQSZACIVSA-N 1 0 306.406 3.765 20 5 DHBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000344703300 335274001 /nfs/dbraw/zinc/27/40/01/335274001.db2.gz VIVMDGASRCKDOI-GDLVEWKHSA-N 1 0 318.398 3.699 20 5 DHBDRO CC[C@H]([NH2+]CCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000346801014 335437254 /nfs/dbraw/zinc/43/72/54/335437254.db2.gz ZZJNQZJRJVPKSJ-INIZCTEOSA-N 1 0 324.384 3.685 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000527355309 335837964 /nfs/dbraw/zinc/83/79/64/335837964.db2.gz JSTNHXUBSJCXGY-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000520303616 335960551 /nfs/dbraw/zinc/96/05/51/335960551.db2.gz JZFPPBBNRWVTKZ-KBXCAEBGSA-N 1 0 320.433 3.885 20 5 DHBDRO COCC[C@H]1CCCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000332341293 336169190 /nfs/dbraw/zinc/16/91/90/336169190.db2.gz QWOFVUCYDRVDDJ-HUUCEWRRSA-N 1 0 306.406 3.794 20 5 DHBDRO COc1cc(C[N@H+](C)Cc2sccc2C)ccc1[N+](=O)[O-] ZINC000351970716 336184364 /nfs/dbraw/zinc/18/43/64/336184364.db2.gz HYIYEDLLYZHYSS-UHFFFAOYSA-N 1 0 306.387 3.605 20 5 DHBDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352426756 336217942 /nfs/dbraw/zinc/21/79/42/336217942.db2.gz XUDCUIJUVGKGOA-CQSZACIVSA-N 1 0 324.446 3.711 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCO[C@@H](C)C1 ZINC000352717261 336231995 /nfs/dbraw/zinc/23/19/95/336231995.db2.gz HXCSRZLOFNDIBS-HOCLYGCPSA-N 1 0 306.406 3.620 20 5 DHBDRO C[C@H]([N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000532489320 336250263 /nfs/dbraw/zinc/25/02/63/336250263.db2.gz AAOIAHLKBGQESG-NSHDSACASA-N 1 0 318.377 3.511 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCSC2)s1 ZINC000526992341 336278319 /nfs/dbraw/zinc/27/83/19/336278319.db2.gz OFBUXBCPSCAGAR-LLVKDONJSA-N 1 0 320.439 3.918 20 5 DHBDRO CCC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301134239 336291722 /nfs/dbraw/zinc/29/17/22/336291722.db2.gz WTGRFWHROYSFHQ-UHFFFAOYSA-N 1 0 311.813 3.559 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000301214087 336295321 /nfs/dbraw/zinc/29/53/21/336295321.db2.gz YVGUXIRASBJDJO-AWEZNQCLSA-N 1 0 323.824 3.703 20 5 DHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(C)(C)C[NH+](C)C ZINC000301360576 336302538 /nfs/dbraw/zinc/30/25/38/336302538.db2.gz QCNUOZWAMKYOEF-GFCCVEGCSA-N 1 0 316.405 3.531 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1NCCCc1nc2ccccc2[nH]1 ZINC000301535781 336313116 /nfs/dbraw/zinc/31/31/16/336313116.db2.gz LSPLMCCRIDSITO-UHFFFAOYSA-N 1 0 310.357 3.824 20 5 DHBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)C(C)(C)C[NH+](C)C ZINC000301661076 336321442 /nfs/dbraw/zinc/32/14/42/336321442.db2.gz XOHNWAGOUJSBIF-LBPRGKRZSA-N 1 0 316.405 3.531 20 5 DHBDRO C[NH+](C)Cc1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1F ZINC000301887517 336336361 /nfs/dbraw/zinc/33/63/61/336336361.db2.gz PLAHTLXHFATYDI-UHFFFAOYSA-N 1 0 321.327 3.547 20 5 DHBDRO CCN(CC)c1ccc(CNc2cccc(C)c2[N+](=O)[O-])cn1 ZINC000302499571 336360068 /nfs/dbraw/zinc/36/00/68/336360068.db2.gz OCCRNDNOTJIVCQ-UHFFFAOYSA-N 1 0 314.389 3.757 20 5 DHBDRO O=[N+]([O-])c1c(F)cccc1NCc1ccccc1-n1ccnc1 ZINC000302700980 336365644 /nfs/dbraw/zinc/36/56/44/336365644.db2.gz XJOWDWGWVHDBEO-UHFFFAOYSA-N 1 0 312.304 3.532 20 5 DHBDRO CCOc1cc(NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000320903531 336384261 /nfs/dbraw/zinc/38/42/61/336384261.db2.gz VOOSONXXBAVETA-CQSZACIVSA-N 1 0 321.421 3.527 20 5 DHBDRO CC[C@@H]([NH2+]CCCc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000353881048 336445661 /nfs/dbraw/zinc/44/56/61/336445661.db2.gz PLVNJBMOGJIVRL-GOSISDBHSA-N 1 0 313.401 3.972 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cnn1C(C)C ZINC000358339455 336624905 /nfs/dbraw/zinc/62/49/05/336624905.db2.gz NXBZWEVXCBLLJU-CYBMUJFWSA-N 1 0 316.405 3.840 20 5 DHBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000358369314 336626877 /nfs/dbraw/zinc/62/68/77/336626877.db2.gz QEGNZHRSUBKUFM-SFHVURJKSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1n[nH]cc1C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000375336858 337008338 /nfs/dbraw/zinc/00/83/38/337008338.db2.gz PQGJVKLLIYIDPZ-CYBMUJFWSA-N 1 0 314.389 3.567 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000123021576 337034059 /nfs/dbraw/zinc/03/40/59/337034059.db2.gz HPDPEWZEHOEVCH-FZKQIMNGSA-N 1 0 314.385 3.972 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000376820098 337041965 /nfs/dbraw/zinc/04/19/65/337041965.db2.gz YHDCUCYRRIDZLY-UHFFFAOYSA-N 1 0 318.417 3.721 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(SC)CCC2)cc1[N+](=O)[O-] ZINC000193805142 337080220 /nfs/dbraw/zinc/08/02/20/337080220.db2.gz CEMSLSDZLFHZLM-GFCCVEGCSA-N 1 0 324.446 3.930 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177492349 337156275 /nfs/dbraw/zinc/15/62/75/337156275.db2.gz JAAQBQJBTNYUMG-UHFFFAOYSA-N 1 0 318.417 3.766 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180705179 337177386 /nfs/dbraw/zinc/17/73/86/337177386.db2.gz DPBIUDBRMVWTHC-SWLSCSKDSA-N 1 0 322.405 3.756 20 5 DHBDRO CSCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182339462 337188051 /nfs/dbraw/zinc/18/80/51/337188051.db2.gz NIXZRXPFDOWUHJ-JTQLQIEISA-N 1 0 302.827 3.822 20 5 DHBDRO Cc1c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186710082 337258948 /nfs/dbraw/zinc/25/89/48/337258948.db2.gz POGINXRTURDBEJ-IBGZPJMESA-N 1 0 324.380 3.535 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([C@@H]2CCCO2)CC1 ZINC000189239916 337277554 /nfs/dbraw/zinc/27/75/54/337277554.db2.gz FUQLNIMPJSXRPP-INIZCTEOSA-N 1 0 324.808 3.639 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000421319535 337526112 /nfs/dbraw/zinc/52/61/12/337526112.db2.gz ADDXHXKTACNDIC-UHFFFAOYSA-N 1 0 312.369 3.771 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421346138 337527807 /nfs/dbraw/zinc/52/78/07/337527807.db2.gz CEKFELUWBQIPPQ-UJAVWCLSSA-N 1 0 318.442 3.731 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248776586 337567359 /nfs/dbraw/zinc/56/73/59/337567359.db2.gz HQLLBSPYUQFWRN-BHYGNILZSA-N 1 0 304.390 3.593 20 5 DHBDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000249747620 337571348 /nfs/dbraw/zinc/57/13/48/337571348.db2.gz NSCICNJVHHVXMU-SDDRHHMPSA-N 1 0 318.377 3.730 20 5 DHBDRO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000284508739 337582554 /nfs/dbraw/zinc/58/25/54/337582554.db2.gz YGCVJOCTNXTJFE-GFCCVEGCSA-N 1 0 314.389 3.533 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424353617 337825113 /nfs/dbraw/zinc/82/51/13/337825113.db2.gz PGCKNJKABLTLBL-BTYMGIQYSA-N 1 0 300.402 3.694 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000061003479 337924189 /nfs/dbraw/zinc/92/41/89/337924189.db2.gz TUQVHDHQWGVXTK-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO CC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000537291553 337928476 /nfs/dbraw/zinc/92/84/76/337928476.db2.gz QHJLXYBCXZSIPJ-CYBMUJFWSA-N 1 0 318.377 3.559 20 5 DHBDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515389260 337987648 /nfs/dbraw/zinc/98/76/48/337987648.db2.gz SQDCPMVXYBDZQB-SJKOYZFVSA-N 1 0 311.385 3.890 20 5 DHBDRO CC(C)([NH2+]CCCOc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429225544 338073866 /nfs/dbraw/zinc/07/38/66/338073866.db2.gz GPHNCXULUUAHPY-UHFFFAOYSA-N 1 0 314.385 3.889 20 5 DHBDRO CC(C)([NH2+]CCOc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000429229880 338073920 /nfs/dbraw/zinc/07/39/20/338073920.db2.gz JGSCDBPYTIVJJL-UHFFFAOYSA-N 1 0 318.348 3.638 20 5 DHBDRO CN(C)c1ccccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429241044 338074404 /nfs/dbraw/zinc/07/44/04/338074404.db2.gz ZBIJKVCZSSMCQA-UHFFFAOYSA-N 1 0 313.401 3.686 20 5 DHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000429668017 338086997 /nfs/dbraw/zinc/08/69/97/338086997.db2.gz NIZJLFKIECBTJF-BBRMVZONSA-N 1 0 324.446 3.628 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000430213978 338101710 /nfs/dbraw/zinc/10/17/10/338101710.db2.gz DHLNJTUDFZVWNM-KRWDZBQOSA-N 1 0 312.369 3.723 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)c1cccs1 ZINC000430228282 338102234 /nfs/dbraw/zinc/10/22/34/338102234.db2.gz RYUKOMBIZTTWOB-UHFFFAOYSA-N 1 0 306.387 3.690 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCSCc2ccccc2)cc1 ZINC000430760616 338114099 /nfs/dbraw/zinc/11/40/99/338114099.db2.gz JUMBUMSKTYYJDU-UHFFFAOYSA-N 1 0 316.426 3.660 20 5 DHBDRO CCC[C@@H](CCO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433286585 338189380 /nfs/dbraw/zinc/18/93/80/338189380.db2.gz VDPDHUVRXLGTOT-GUYCJALGSA-N 1 0 320.433 3.706 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCS2)c2cc([N+](=O)[O-])ccc21 ZINC000433308474 338191011 /nfs/dbraw/zinc/19/10/11/338191011.db2.gz YEVRWFANUQKDQC-SWLSCSKDSA-N 1 0 306.431 3.802 20 5 DHBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCS2)c2cc([N+](=O)[O-])ccc21 ZINC000433308475 338191027 /nfs/dbraw/zinc/19/10/27/338191027.db2.gz YEVRWFANUQKDQC-WFASDCNBSA-N 1 0 306.431 3.802 20 5 DHBDRO Cc1ccnc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000435593642 338243124 /nfs/dbraw/zinc/24/31/24/338243124.db2.gz RZYHRHTXYOUUBI-OAHLLOKOSA-N 1 0 318.421 3.507 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCN(C)c1ccccc1 ZINC000436394482 338270614 /nfs/dbraw/zinc/27/06/14/338270614.db2.gz WMLTUQJUCCCVJT-OAHLLOKOSA-N 1 0 313.401 3.724 20 5 DHBDRO COc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000438354305 338340791 /nfs/dbraw/zinc/34/07/91/338340791.db2.gz LTAKCUFVKGSIQB-UHFFFAOYSA-N 1 0 304.390 3.760 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000446891144 338539920 /nfs/dbraw/zinc/53/99/20/338539920.db2.gz UQZAVEIJDVACRH-HNNXBMFYSA-N 1 0 305.403 3.680 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000449319289 338612304 /nfs/dbraw/zinc/61/23/04/338612304.db2.gz JJWHKZAFXOHQJX-STQMWFEESA-N 1 0 324.384 3.753 20 5 DHBDRO COCC(C)(C)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449332073 338614101 /nfs/dbraw/zinc/61/41/01/338614101.db2.gz PWWDCYMTBJHNSO-CQSZACIVSA-N 1 0 308.422 3.568 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCc3ccccc3CC2)cs1 ZINC000449593702 338640277 /nfs/dbraw/zinc/64/02/77/338640277.db2.gz PJDVESSMHUVIHD-UHFFFAOYSA-N 1 0 302.399 3.694 20 5 DHBDRO CN1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000449647224 338644121 /nfs/dbraw/zinc/64/41/21/338644121.db2.gz DCJAEZGSASVZMF-QGZVFWFLSA-N 1 0 311.385 3.656 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000459731947 339045007 /nfs/dbraw/zinc/04/50/07/339045007.db2.gz NXAWXVIVIDSJLQ-ISTRZQFTSA-N 1 0 314.360 3.811 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC1 ZINC000459753298 339046316 /nfs/dbraw/zinc/04/63/16/339046316.db2.gz LXSTWJRIWZWAKH-MRXNPFEDSA-N 1 0 320.389 3.520 20 5 DHBDRO CO[C@@H]1C[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459775167 339047749 /nfs/dbraw/zinc/04/77/49/339047749.db2.gz JJRDOXPUTVGOLQ-WZFZXHKMSA-N 1 0 316.401 3.545 20 5 DHBDRO C[C@@H](C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000459785319 339048431 /nfs/dbraw/zinc/04/84/31/339048431.db2.gz ARKWXSHHWSNXTI-STQMWFEESA-N 1 0 322.405 3.565 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000459788757 339048544 /nfs/dbraw/zinc/04/85/44/339048544.db2.gz FOHVYTIDTQFRTH-CYBMUJFWSA-N 1 0 303.362 3.794 20 5 DHBDRO Cc1cc(N[C@@H]2CCCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167386262 339053520 /nfs/dbraw/zinc/05/35/20/339053520.db2.gz XQVDQYKNDAVPLS-LLVKDONJSA-N 1 0 303.387 3.759 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000462788162 339088588 /nfs/dbraw/zinc/08/85/88/339088588.db2.gz GGCKCPMIUOZHKW-AWEZNQCLSA-N 1 0 321.421 3.670 20 5 DHBDRO CCC(CC)[C@H](CNc1ncc(C)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000463059428 339103578 /nfs/dbraw/zinc/10/35/78/339103578.db2.gz YBPFVGCTDRNWQZ-INIZCTEOSA-N 1 0 320.437 3.611 20 5 DHBDRO COc1cc(CN(C)Cc2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000463476834 339119130 /nfs/dbraw/zinc/11/91/30/339119130.db2.gz CFAPKSPNDODWCC-UHFFFAOYSA-N 1 0 318.348 3.683 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000464770172 339152168 /nfs/dbraw/zinc/15/21/68/339152168.db2.gz FKZWSYVGCWKDEI-BBRMVZONSA-N 1 0 324.446 3.580 20 5 DHBDRO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467997740 339250781 /nfs/dbraw/zinc/25/07/81/339250781.db2.gz FWMUFEIUPJOMLE-KPZWWZAWSA-N 1 0 314.360 3.800 20 5 DHBDRO COCCC(C)(C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468621167 339267241 /nfs/dbraw/zinc/26/72/41/339267241.db2.gz VSNMVNAWYLFXJJ-UVTDQMKNSA-N 1 0 306.406 3.650 20 5 DHBDRO CCC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000468744782 339269674 /nfs/dbraw/zinc/26/96/74/339269674.db2.gz OVGUHWYZMLOCOP-PTNGSMBKSA-N 1 0 318.417 3.795 20 5 DHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000469780397 339299407 /nfs/dbraw/zinc/29/94/07/339299407.db2.gz OLLNIICPNIEKLR-JKSUJKDBSA-N 1 0 324.446 3.628 20 5 DHBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000470009407 339308430 /nfs/dbraw/zinc/30/84/30/339308430.db2.gz PETQKSPCIHTQLG-LBPRGKRZSA-N 1 0 302.296 3.758 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1scnc1C ZINC000470169832 339312571 /nfs/dbraw/zinc/31/25/71/339312571.db2.gz KRXBBQNWMATRPA-KPKJPENVSA-N 1 0 317.414 3.895 20 5 DHBDRO Cc1c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000470956268 339332797 /nfs/dbraw/zinc/33/27/97/339332797.db2.gz BJKKQINTAZCMGG-JQWIXIFHSA-N 1 0 302.296 3.676 20 5 DHBDRO CSc1ccccc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000470992809 339333893 /nfs/dbraw/zinc/33/38/93/339333893.db2.gz AQPRFFANKCMVNY-UHFFFAOYSA-N 1 0 316.426 3.991 20 5 DHBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000479580056 339542130 /nfs/dbraw/zinc/54/21/30/339542130.db2.gz OMRFBCMRFQXIBZ-GQQIISMTSA-N 1 0 318.417 3.791 20 5 DHBDRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000489140001 339802359 /nfs/dbraw/zinc/80/23/59/339802359.db2.gz OSMAHCKSVSAMLI-GFCCVEGCSA-N 1 0 300.358 3.991 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000500894726 340069455 /nfs/dbraw/zinc/06/94/55/340069455.db2.gz VKEZIWZRRPDMFT-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO CCCCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000501138308 340075005 /nfs/dbraw/zinc/07/50/05/340075005.db2.gz XTOFRSWCRJNOGH-UHFFFAOYSA-N 1 0 321.421 3.824 20 5 DHBDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000502413339 340102497 /nfs/dbraw/zinc/10/24/97/340102497.db2.gz GRMAOYMHDXRXBA-KCXAZCMYSA-N 1 0 308.809 3.959 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCCSCC)cc1[N+](=O)[O-] ZINC000502574491 340108157 /nfs/dbraw/zinc/10/81/57/340108157.db2.gz JYQOFODLXKEORD-LBPRGKRZSA-N 1 0 312.435 3.787 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000503684132 340133484 /nfs/dbraw/zinc/13/34/84/340133484.db2.gz HRMWTSLMHGYEPA-AWEZNQCLSA-N 1 0 300.333 3.723 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccco1 ZINC000504927647 340156456 /nfs/dbraw/zinc/15/64/56/340156456.db2.gz RZVGCAYCUDTAKX-GFCCVEGCSA-N 1 0 306.387 3.848 20 5 DHBDRO Cc1ccc(OCCN(C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505582156 340171619 /nfs/dbraw/zinc/17/16/19/340171619.db2.gz OOUQRELKRPSRAG-UHFFFAOYSA-N 1 0 318.348 3.553 20 5 DHBDRO CC[N@H+](CCOC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000506465309 340195014 /nfs/dbraw/zinc/19/50/14/340195014.db2.gz HOFQTPFHZDNJBO-UHFFFAOYSA-N 1 0 320.414 3.792 20 5 DHBDRO Cc1ccccc1[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000507181023 340211607 /nfs/dbraw/zinc/21/16/07/340211607.db2.gz MXGYNLUCTDSEQE-QGZVFWFLSA-N 1 0 310.397 3.935 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1ccc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000507208014 340213370 /nfs/dbraw/zinc/21/33/70/340213370.db2.gz FNNYEGCACLXFNG-VXGBXAGGSA-N 1 0 310.357 3.883 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccccc1 ZINC000302750307 340281339 /nfs/dbraw/zinc/28/13/39/340281339.db2.gz VWVAVNJOIQXUKG-AWEZNQCLSA-N 1 0 300.358 3.667 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510735905 340308824 /nfs/dbraw/zinc/30/88/24/340308824.db2.gz MIVUIFGYQGHXCC-DOMZBBRYSA-N 1 0 310.369 3.611 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000512235269 340353471 /nfs/dbraw/zinc/35/34/71/340353471.db2.gz WLNVPHAJHGOBNE-HIFRSBDPSA-N 1 0 306.406 3.909 20 5 DHBDRO C[C@@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513027907 340389360 /nfs/dbraw/zinc/38/93/60/340389360.db2.gz QTECEUJXHHYLMR-RYWCDNDXSA-N 1 0 322.368 3.835 20 5 DHBDRO CCOCC(C)(C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000572518985 340451517 /nfs/dbraw/zinc/45/15/17/340451517.db2.gz UEQACQHGGGUEJD-ZROIWOOFSA-N 1 0 306.406 3.650 20 5 DHBDRO Cc1ccnc(NC[C@H](C(C)C)[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000523755279 340638031 /nfs/dbraw/zinc/63/80/31/340638031.db2.gz IMCZJRWGQVNGFL-OAHLLOKOSA-N 1 0 320.437 3.611 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000123441326 340780658 /nfs/dbraw/zinc/78/06/58/340780658.db2.gz ZNTNBODJJMYDCW-AWEZNQCLSA-N 1 0 306.406 3.639 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3c2c(F)ccc3F)c1 ZINC000537953570 340793113 /nfs/dbraw/zinc/79/31/13/340793113.db2.gz YRCXNPDRUCXAKX-MRXNPFEDSA-N 1 0 318.323 3.693 20 5 DHBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538020851 340807534 /nfs/dbraw/zinc/80/75/34/340807534.db2.gz JBUNVTTXZZDLNS-SWLSCSKDSA-N 1 0 320.414 3.657 20 5 DHBDRO Cc1ccc(OCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000540176849 340920812 /nfs/dbraw/zinc/92/08/12/340920812.db2.gz TVJJWORUCUXRLM-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO Cc1ccncc1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000540186657 340921906 /nfs/dbraw/zinc/92/19/06/340921906.db2.gz HVXXFUMVMHGHKE-HNNXBMFYSA-N 1 0 313.401 3.972 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000129714584 340984304 /nfs/dbraw/zinc/98/43/04/340984304.db2.gz GRALXCLYUJAPIA-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C/c2ccc(F)cc2F)cc1 ZINC000541794150 340984436 /nfs/dbraw/zinc/98/44/36/340984436.db2.gz OVEAPCYVCWOZTH-OWOJBTEDSA-N 1 0 318.323 3.719 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCCc1ccsc1)C2 ZINC000543063744 341030116 /nfs/dbraw/zinc/03/01/16/341030116.db2.gz SHCRWTOVUQCYEK-UHFFFAOYSA-N 1 0 302.399 3.647 20 5 DHBDRO C[C@@H](Cc1ccsc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000543096349 341031666 /nfs/dbraw/zinc/03/16/66/341031666.db2.gz XEZCWDYZGZNEKT-LBPRGKRZSA-N 1 0 302.399 3.646 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000543628871 341051971 /nfs/dbraw/zinc/05/19/71/341051971.db2.gz YBBFWSQHMGUBLI-WOSRLPQWSA-N 1 0 315.373 3.645 20 5 DHBDRO C[C@H]([NH2+]CCCNc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000544373372 341078848 /nfs/dbraw/zinc/07/88/48/341078848.db2.gz DIPHAPQOVNLKLI-ZDUSSCGKSA-N 1 0 317.364 3.887 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@H]1CCCCO1 ZINC000545457495 341125911 /nfs/dbraw/zinc/12/59/11/341125911.db2.gz HYYACOMCUATZGF-GDBMZVCRSA-N 1 0 306.406 3.903 20 5 DHBDRO Cc1ccc2c(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3)c[nH]c2c1 ZINC000237885188 341222568 /nfs/dbraw/zinc/22/25/68/341222568.db2.gz QMCIGZXTVFXODY-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000135167643 341232594 /nfs/dbraw/zinc/23/25/94/341232594.db2.gz QUTHJUAWYAMISC-QGZVFWFLSA-N 1 0 300.333 3.554 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000135175817 341232790 /nfs/dbraw/zinc/23/27/90/341232790.db2.gz VXDSNKWFIIPHOE-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000548508512 341265038 /nfs/dbraw/zinc/26/50/38/341265038.db2.gz JIPODKRWNVFSGX-WQGACYEGSA-N 1 0 314.389 3.624 20 5 DHBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000080932462 341276788 /nfs/dbraw/zinc/27/67/88/341276788.db2.gz VTOADBOMGCLJDB-ZDUSSCGKSA-N 1 0 300.358 3.884 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccccc1 ZINC000549228503 341289204 /nfs/dbraw/zinc/28/92/04/341289204.db2.gz KRDFJVWVIDHKGV-JLSDUUJJSA-N 1 0 310.397 3.919 20 5 DHBDRO CCC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245605310 341304891 /nfs/dbraw/zinc/30/48/91/341304891.db2.gz QVRJBCLSVUOLPS-DCGLDWPTSA-N 1 0 306.406 3.982 20 5 DHBDRO CCOCC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000549860638 341305325 /nfs/dbraw/zinc/30/53/25/341305325.db2.gz JQYSDLPUQUNTPD-UHFFFAOYSA-N 1 0 318.373 3.760 20 5 DHBDRO CCc1noc(C)c1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000550239889 341313365 /nfs/dbraw/zinc/31/33/65/341313365.db2.gz ZTCPKYXCWYOIHZ-XYOKQWHBSA-N 1 0 315.373 3.647 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000247924967 341371140 /nfs/dbraw/zinc/37/11/40/341371140.db2.gz BNWXULUQFVOXRR-YYIAUSFCSA-N 1 0 318.417 3.839 20 5 DHBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092658300 341454353 /nfs/dbraw/zinc/45/43/53/341454353.db2.gz UGSVONYQPWPYIJ-UHFFFAOYSA-N 1 0 320.361 3.630 20 5 DHBDRO C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555331747 341480218 /nfs/dbraw/zinc/48/02/18/341480218.db2.gz QJDOTULSXZWCRX-BZOOQXSSSA-N 1 0 304.390 3.737 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000565218890 341520563 /nfs/dbraw/zinc/52/05/63/341520563.db2.gz SODWGBAUBTUXNJ-SFHVURJKSA-N 1 0 323.396 3.646 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000268995961 341606256 /nfs/dbraw/zinc/60/62/56/341606256.db2.gz HTQDGYHXDIJKTD-ROUUACIJSA-N 1 0 314.385 3.759 20 5 DHBDRO CCC[C@@H]([NH2+]CC1(C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000271489373 341622885 /nfs/dbraw/zinc/62/28/85/341622885.db2.gz LRAFLMNAJRIUOA-MRXNPFEDSA-N 1 0 306.406 3.842 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000336890495 341721898 /nfs/dbraw/zinc/72/18/98/341721898.db2.gz HJMSTFNOEVCCFN-NVXWUHKLSA-N 1 0 312.369 3.639 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCCc3c(O)cccc32)cccc1[N+](=O)[O-] ZINC000192349991 341799771 /nfs/dbraw/zinc/79/97/71/341799771.db2.gz TUXCFEOWPQEKMV-INIZCTEOSA-N 1 0 312.369 3.776 20 5 DHBDRO Cc1ccc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000192853553 341892996 /nfs/dbraw/zinc/89/29/96/341892996.db2.gz LPCATEPSDUQGPL-SFHVURJKSA-N 1 0 311.385 3.508 20 5 DHBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ncc([N+](=O)[O-])s1 ZINC000190317047 519630888 /nfs/dbraw/zinc/63/08/88/519630888.db2.gz LOHKASWDQZXRFT-UHFFFAOYSA-N 1 0 320.418 3.504 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157781788 521177202 /nfs/dbraw/zinc/17/72/02/521177202.db2.gz IPWNBACPKRIAMS-SZMVWBNQSA-N 1 0 318.417 3.983 20 5 DHBDRO CCOCCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000159978352 521692005 /nfs/dbraw/zinc/69/20/05/521692005.db2.gz WHRBFGIHFNIDHH-CQSZACIVSA-N 1 0 306.406 3.842 20 5 DHBDRO CCOCCC1(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000181607878 521692129 /nfs/dbraw/zinc/69/21/29/521692129.db2.gz PEASOYJOLUXLKR-MRXNPFEDSA-N 1 0 306.406 3.842 20 5 DHBDRO COc1ccc(C[NH2+]C2(c3ccccc3)CCC2)cc1[N+](=O)[O-] ZINC000237345911 524068719 /nfs/dbraw/zinc/06/87/19/524068719.db2.gz NKPWIISFHRBGGB-UHFFFAOYSA-N 1 0 312.369 3.772 20 5 DHBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163214923 525377312 /nfs/dbraw/zinc/37/73/12/525377312.db2.gz ARKHNLDACXOUFJ-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163214734 525378525 /nfs/dbraw/zinc/37/85/25/525378525.db2.gz ARKHNLDACXOUFJ-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163214652 525431142 /nfs/dbraw/zinc/43/11/42/525431142.db2.gz ARKHNLDACXOUFJ-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000122384465 525462598 /nfs/dbraw/zinc/46/25/98/525462598.db2.gz FWCKAKHUJKUCPL-INIZCTEOSA-N 1 0 316.332 3.520 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000266753841 525476879 /nfs/dbraw/zinc/47/68/79/525476879.db2.gz DDYSXYZQQVLWED-BDJLRTHQSA-N 1 0 320.776 3.632 20 5 DHBDRO CSCc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000189480054 525739283 /nfs/dbraw/zinc/73/92/83/525739283.db2.gz QFMJMSLKLBPFIF-UHFFFAOYSA-N 1 0 302.399 3.748 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000182745023 526090066 /nfs/dbraw/zinc/09/00/66/526090066.db2.gz XPAQCXRGYUEYEQ-SUMWQHHRSA-N 1 0 314.389 3.535 20 5 DHBDRO Cc1nc2c(s1)CCC[C@@H]2C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000366402766 527103846 /nfs/dbraw/zinc/10/38/46/527103846.db2.gz KFKDZFNPJPFHEA-LLVKDONJSA-N 1 0 323.443 3.631 20 5 DHBDRO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000267199333 527320159 /nfs/dbraw/zinc/32/01/59/527320159.db2.gz OEMWFTOCAUPGBG-UHFFFAOYSA-N 1 0 307.369 3.553 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)CC1CCCC1)CCC2 ZINC000338026745 527379865 /nfs/dbraw/zinc/37/98/65/527379865.db2.gz KNLANBVPQVVRJA-CRAIPNDOSA-N 1 0 318.417 3.503 20 5 DHBDRO CC(C)([NH2+]CC[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000298091290 535248917 /nfs/dbraw/zinc/24/89/17/535248917.db2.gz IFLANRYOIYXYOS-KRWDZBQOSA-N 1 0 314.385 3.543 20 5 DHBDRO COCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272568076 536808495 /nfs/dbraw/zinc/80/84/95/536808495.db2.gz FOILXGOZCRQSOQ-XJKSGUPXSA-N 1 0 318.373 3.925 20 5 DHBDRO COCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272568073 536810219 /nfs/dbraw/zinc/81/02/19/536810219.db2.gz FOILXGOZCRQSOQ-CZUORRHYSA-N 1 0 318.373 3.925 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1csc(C)c1 ZINC000297866653 536956129 /nfs/dbraw/zinc/95/61/29/536956129.db2.gz UITGTPKASYVEFM-NSHDSACASA-N 1 0 306.387 3.824 20 5 DHBDRO CC(C)CCOCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000517839232 1013084839 /nfs/dbraw/zinc/08/48/39/1013084839.db2.gz PJFILNCDEOSHGD-UHFFFAOYSA-N 1 0 308.422 3.868 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000356721355 1013472622 /nfs/dbraw/zinc/47/26/22/1013472622.db2.gz GSODYQFQDHXMTK-XOKHGSTOSA-N 1 0 306.406 3.983 20 5 DHBDRO C[C@H](c1cccc(O)c1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000109780990 1013749830 /nfs/dbraw/zinc/74/98/30/1013749830.db2.gz OGNVQVUITJQIIJ-CYBMUJFWSA-N 1 0 300.358 3.536 20 5 DHBDRO C[C@H](c1ccco1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083169595 1013781417 /nfs/dbraw/zinc/78/14/17/1013781417.db2.gz DRZGQNTWWYTKMW-SNVBAGLBSA-N 1 0 301.302 3.522 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000441444728 1013883786 /nfs/dbraw/zinc/88/37/86/1013883786.db2.gz HLBKOJPJUIIWPR-PBHICJAKSA-N 1 0 304.390 3.628 20 5 DHBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000441460673 1013908356 /nfs/dbraw/zinc/90/83/56/1013908356.db2.gz DRGBQTWIJKALKZ-JKIFEVAISA-N 1 0 304.390 3.627 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCC2CC2)CC1 ZINC000610372091 1014001446 /nfs/dbraw/zinc/00/14/46/1014001446.db2.gz IDJYDKJKANFDFS-ZDUSSCGKSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000064915963 1014044796 /nfs/dbraw/zinc/04/47/96/1014044796.db2.gz CYSJWHUVBJRSJZ-GDBMZVCRSA-N 1 0 311.385 3.842 20 5 DHBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000441464275 1014167608 /nfs/dbraw/zinc/16/76/08/1014167608.db2.gz AIVCFAACSYKGRX-CKEIUWERSA-N 1 0 304.390 3.627 20 5 DHBDRO Cc1cc2cc3cc(C)c(NC4=CCOC4)cc3[nH+]c2cc1N ZINC001203398072 1014241303 /nfs/dbraw/zinc/24/13/03/1014241303.db2.gz ROPOWORISOFTIR-UHFFFAOYSA-N 1 0 305.381 3.913 20 5 DHBDRO CC[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000319889052 1014269671 /nfs/dbraw/zinc/26/96/71/1014269671.db2.gz WUVHQPHXNKJXDT-CRAIPNDOSA-N 1 0 319.449 3.900 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ccco1 ZINC000129576131 1014369648 /nfs/dbraw/zinc/36/96/48/1014369648.db2.gz PBMIKUOUTIETLE-CZUORRHYSA-N 1 0 300.358 3.689 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000520948036 1014619625 /nfs/dbraw/zinc/61/96/25/1014619625.db2.gz OCNZSDBYJUMUAG-NWDGAFQWSA-N 1 0 316.357 3.609 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000581380360 1014752325 /nfs/dbraw/zinc/75/23/25/1014752325.db2.gz RJOXTDGARLKCOB-DIFFPNOSSA-N 1 0 322.368 3.809 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000610514235 1015053508 /nfs/dbraw/zinc/05/35/08/1015053508.db2.gz ZXPLIZIWVWRDDD-LLVKDONJSA-N 1 0 323.443 3.967 20 5 DHBDRO CC(C)C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000474208600 1015185192 /nfs/dbraw/zinc/18/51/92/1015185192.db2.gz OOZKNHPLWYUHMX-UHFFFAOYSA-N 1 0 321.421 3.537 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@H](CF)C3)cs2)c1 ZINC000895574767 1015206406 /nfs/dbraw/zinc/20/64/06/1015206406.db2.gz ZOFACDVOTBQMTP-LLVKDONJSA-N 1 0 321.377 3.510 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000337447500 1015256980 /nfs/dbraw/zinc/25/69/80/1015256980.db2.gz RAZKERHUDVFEFT-HNNXBMFYSA-N 1 0 324.808 3.687 20 5 DHBDRO COc1cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1F ZINC000090909892 1015300340 /nfs/dbraw/zinc/30/03/40/1015300340.db2.gz SAUYIFYBMUPFSE-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO O=[N+]([O-])c1sccc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000610550181 1015464858 /nfs/dbraw/zinc/46/48/58/1015464858.db2.gz FUBZRUIAUOROPI-AWEZNQCLSA-N 1 0 323.462 3.749 20 5 DHBDRO Cc1cc(NCCOC(C)(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000308529958 1015474219 /nfs/dbraw/zinc/47/42/19/1015474219.db2.gz OILWBXVOTZPHDJ-UHFFFAOYSA-N 1 0 303.362 3.678 20 5 DHBDRO CCC(C)(C)OCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000308633773 1015533410 /nfs/dbraw/zinc/53/34/10/1015533410.db2.gz AOFWXZQYHCSTIP-UHFFFAOYSA-N 1 0 300.786 3.543 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccnc3ccccc23)cccc1[N+](=O)[O-] ZINC000323485490 1015627322 /nfs/dbraw/zinc/62/73/22/1015627322.db2.gz LGXKMRPXCLNPKY-UHFFFAOYSA-N 1 0 307.353 3.741 20 5 DHBDRO CCC(C)(C)OCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000308756149 1015768606 /nfs/dbraw/zinc/76/86/06/1015768606.db2.gz WLFWRQLEFRKJMI-UHFFFAOYSA-N 1 0 300.786 3.543 20 5 DHBDRO C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000187667736 1015778549 /nfs/dbraw/zinc/77/85/49/1015778549.db2.gz NZGCNQDLDPUZLT-KSSFIOAISA-N 1 0 314.385 3.543 20 5 DHBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276987950 1015838737 /nfs/dbraw/zinc/83/87/37/1015838737.db2.gz ZPFAQDWAEVAVAO-ZDUSSCGKSA-N 1 0 300.358 3.844 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2c1cccc2C ZINC000610810538 1015849298 /nfs/dbraw/zinc/84/92/98/1015849298.db2.gz IERSWVBPOZKOBO-KRWDZBQOSA-N 1 0 312.369 3.689 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000610831244 1015879812 /nfs/dbraw/zinc/87/98/12/1015879812.db2.gz ZGRQKXYHOOGPJG-GJZGRUSLSA-N 1 0 313.401 3.704 20 5 DHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000065532942 1016204742 /nfs/dbraw/zinc/20/47/42/1016204742.db2.gz XMPFSAJDCOJKQR-SFHVURJKSA-N 1 0 312.369 3.593 20 5 DHBDRO C[C@H](c1ccccc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051428936 1016356581 /nfs/dbraw/zinc/35/65/81/1016356581.db2.gz JGONRMWKUPLNGF-CQSZACIVSA-N 1 0 300.358 3.667 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000051453684 1016391808 /nfs/dbraw/zinc/39/18/08/1016391808.db2.gz DCQACKKTQXKIAA-UHFFFAOYSA-N 1 0 320.776 3.889 20 5 DHBDRO C[C@@H](Nc1sccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611583558 1016506791 /nfs/dbraw/zinc/50/67/91/1016506791.db2.gz NYBOUXLFJQEEIB-VXGBXAGGSA-N 1 0 309.435 3.721 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000346795109 1016562649 /nfs/dbraw/zinc/56/26/49/1016562649.db2.gz NBZDUVBIXGTFQA-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346844909 1016600504 /nfs/dbraw/zinc/60/05/04/1016600504.db2.gz YVNKIFUYOPBIRA-JQFCIGGWSA-N 1 0 305.422 3.508 20 5 DHBDRO CC[C@@H](NCC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000346870040 1016617524 /nfs/dbraw/zinc/61/75/24/1016617524.db2.gz DTSZAYQGBSMCKJ-MAUKXSAKSA-N 1 0 319.449 3.900 20 5 DHBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000089513428 1032150754 /nfs/dbraw/zinc/15/07/54/1032150754.db2.gz ZQQKZHXNJBDMKO-QGZVFWFLSA-N 1 0 312.369 3.907 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000562059203 1016827920 /nfs/dbraw/zinc/82/79/20/1016827920.db2.gz TWXOGGTUJXUUTJ-HNKHHVNMSA-N 1 0 306.381 3.786 20 5 DHBDRO CC(C)(CC[NH+]1CCCCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000479587926 1017008030 /nfs/dbraw/zinc/00/80/30/1017008030.db2.gz IRBSXFRJNOMPTM-UHFFFAOYSA-N 1 0 319.449 3.729 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1Cl ZINC000897081409 1017035459 /nfs/dbraw/zinc/03/54/59/1017035459.db2.gz BHAFOLAQUDEOBB-CJNGLKHVSA-N 1 0 324.808 3.543 20 5 DHBDRO CCOC(C[N@H+](CC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C)OCC ZINC000846977027 1032175046 /nfs/dbraw/zinc/17/50/46/1032175046.db2.gz YFUCYFJULBIJLG-AWEZNQCLSA-N 1 0 324.421 3.685 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1cccc(F)c1 ZINC000773052490 1032541846 /nfs/dbraw/zinc/54/18/46/1032541846.db2.gz ZMXPHUGXUOJUJB-XWCIJXRUSA-N 1 0 318.348 3.507 20 5 DHBDRO Cc1ncc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000773081778 1032552373 /nfs/dbraw/zinc/55/23/73/1032552373.db2.gz OGFIQPTUKRVMCP-NSHDSACASA-N 1 0 305.403 3.561 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000773121484 1032564280 /nfs/dbraw/zinc/56/42/80/1032564280.db2.gz RIIXFKCHTVGWNH-VXGBXAGGSA-N 1 0 303.362 3.733 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1 ZINC000509519976 1032571310 /nfs/dbraw/zinc/57/13/10/1032571310.db2.gz BBMCQRHJULFUDZ-CJNGLKHVSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424314220 1011976630 /nfs/dbraw/zinc/97/66/30/1011976630.db2.gz CAKSEBLNDYYAIK-JEBQAFNWSA-N 1 0 314.360 3.753 20 5 DHBDRO C[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCOC1 ZINC000120151585 1012093503 /nfs/dbraw/zinc/09/35/03/1012093503.db2.gz LGXYUZJYFLBPBU-INIZCTEOSA-N 1 0 318.398 3.592 20 5 DHBDRO COc1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000126979443 1012511442 /nfs/dbraw/zinc/51/14/42/1012511442.db2.gz FMQPIVXDROBNSD-UHFFFAOYSA-N 1 0 312.369 3.768 20 5 DHBDRO CC[C@@H]([NH2+]CC1(CCOC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000123088302 1032636474 /nfs/dbraw/zinc/63/64/74/1032636474.db2.gz PFBCKXFAIQHTFH-MRXNPFEDSA-N 1 0 306.406 3.842 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccnc1Cl ZINC000123187231 1032638629 /nfs/dbraw/zinc/63/86/29/1032638629.db2.gz CXEWDRRBHDJKHJ-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CC1=CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425447110 1012647789 /nfs/dbraw/zinc/64/77/89/1012647789.db2.gz QYZMUGYXVICKRJ-UHFFFAOYSA-N 1 0 311.179 3.509 20 5 DHBDRO C[C@H]([NH2+]CCN(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000516673246 1012811223 /nfs/dbraw/zinc/81/12/23/1012811223.db2.gz NOWKHYGVJARFTL-LBPRGKRZSA-N 1 0 319.430 3.536 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CCO)CC(C)C)cccc1[N+](=O)[O-] ZINC000154651019 1012889605 /nfs/dbraw/zinc/88/96/05/1012889605.db2.gz KNJYVIXQEFNXHE-HUUCEWRRSA-N 1 0 308.422 3.599 20 5 DHBDRO C[NH+](C)CC1(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCC1 ZINC000359300083 1012923094 /nfs/dbraw/zinc/92/30/94/1012923094.db2.gz RWZVNBSPWDQYNZ-UHFFFAOYSA-N 1 0 317.311 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)cc1Cl ZINC000897245986 1017197713 /nfs/dbraw/zinc/19/77/13/1017197713.db2.gz OSUPLTRSTOFXMK-ZDUSSCGKSA-N 1 0 324.808 3.830 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000611480897 1017218486 /nfs/dbraw/zinc/21/84/86/1017218486.db2.gz QQMBUASASLHEEG-ZDUSSCGKSA-N 1 0 323.356 3.657 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000342833978 1017533382 /nfs/dbraw/zinc/53/33/82/1017533382.db2.gz DKNLQVHWUFJVRE-GOSISDBHSA-N 1 0 318.417 3.721 20 5 DHBDRO CC(C)CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000053364143 1017550083 /nfs/dbraw/zinc/55/00/83/1017550083.db2.gz HSEAXDJWULWMOG-LBPRGKRZSA-N 1 0 318.377 3.684 20 5 DHBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178654227 1017559014 /nfs/dbraw/zinc/55/90/14/1017559014.db2.gz ZWSQWXJYJLIIFC-LBPRGKRZSA-N 1 0 318.348 3.983 20 5 DHBDRO CCC[C@@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000166287543 1017576117 /nfs/dbraw/zinc/57/61/17/1017576117.db2.gz WBQOHFSAMUOIJR-DHSIGJKJSA-N 1 0 317.433 3.651 20 5 DHBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)c1ccccc1 ZINC000444685589 1017614793 /nfs/dbraw/zinc/61/47/93/1017614793.db2.gz ANVFUZHDOXBYBQ-CHWSQXEVSA-N 1 0 324.384 3.753 20 5 DHBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCC[C@H]1C ZINC000444673659 1017625970 /nfs/dbraw/zinc/62/59/70/1017625970.db2.gz IITMKKQMGSHJPO-WBMJQRKESA-N 1 0 316.405 3.872 20 5 DHBDRO Cc1ccc(F)c(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000444742249 1017655025 /nfs/dbraw/zinc/65/50/25/1017655025.db2.gz WKIOUVIICJRFFL-UHFFFAOYSA-N 1 0 318.348 3.553 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2ccc(Cl)nc21)c1ccc([N+](=O)[O-])cc1 ZINC000857913480 1032716637 /nfs/dbraw/zinc/71/66/37/1032716637.db2.gz LEIVFDVNJBULNM-IINYFYTJSA-N 1 0 317.776 3.981 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1[N+](=O)[O-] ZINC000282512348 1017763619 /nfs/dbraw/zinc/76/36/19/1017763619.db2.gz ZBIWABJVYYTQSV-OLZOCXBDSA-N 1 0 321.380 3.894 20 5 DHBDRO COc1cc(C[N@@H+]2CCCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000445855836 1017990831 /nfs/dbraw/zinc/99/08/31/1017990831.db2.gz OKMPWSIVLLRQAQ-UHFFFAOYSA-N 1 0 304.390 3.760 20 5 DHBDRO CC1(C)CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000446060486 1018046054 /nfs/dbraw/zinc/04/60/54/1018046054.db2.gz KEBJXJPJLMZRKV-UHFFFAOYSA-N 1 0 303.362 3.748 20 5 DHBDRO COc1cc(C[N@H+](C2CC2)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000184211728 1018068554 /nfs/dbraw/zinc/06/85/54/1018068554.db2.gz OPYQRCVZHXYJLZ-UHFFFAOYSA-N 1 0 308.353 3.650 20 5 DHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCC2CCCC2)n1 ZINC000447531937 1018407162 /nfs/dbraw/zinc/40/71/62/1018407162.db2.gz RJZFOPWCZSWNFZ-HZPDHXFCSA-N 1 0 320.437 3.835 20 5 DHBDRO Cc1cccc2c(CC[NH2+]Cc3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000174448652 1018428515 /nfs/dbraw/zinc/42/85/15/1018428515.db2.gz ANQAHBYDNBPUAV-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO COC1CCC(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447585300 1018430128 /nfs/dbraw/zinc/43/01/28/1018430128.db2.gz ITPMVNJBCNEMBB-PVCYVWKFSA-N 1 0 318.417 3.767 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccc3ccccc3n2)cs1 ZINC000340444074 1018610623 /nfs/dbraw/zinc/61/06/23/1018610623.db2.gz IUDFCHMEWIRRCW-UHFFFAOYSA-N 1 0 313.382 3.537 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000765263576 1018734913 /nfs/dbraw/zinc/73/49/13/1018734913.db2.gz PVDKVBMWOSYODR-BDJLRTHQSA-N 1 0 320.776 3.632 20 5 DHBDRO COc1ccc2c(NCc3cccc([N+](=O)[O-])c3)cc[nH+]c2c1 ZINC000765480320 1018803427 /nfs/dbraw/zinc/80/34/27/1018803427.db2.gz LSWXRIAAXQHWEB-UHFFFAOYSA-N 1 0 309.325 3.764 20 5 DHBDRO CCOC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000091678094 1018885068 /nfs/dbraw/zinc/88/50/68/1018885068.db2.gz ABIBJKSWOUTXPG-UHFFFAOYSA-N 1 0 306.406 3.719 20 5 DHBDRO C[C@H](O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000278706570 1019067672 /nfs/dbraw/zinc/06/76/72/1019067672.db2.gz RKCHVKNECXAOEC-LBPRGKRZSA-N 1 0 320.414 3.574 20 5 DHBDRO O=[N+]([O-])c1sccc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000611030800 1019388784 /nfs/dbraw/zinc/38/87/84/1019388784.db2.gz GLANIUSUHZZFRP-UHFFFAOYSA-N 1 0 323.462 3.749 20 5 DHBDRO O=[N+]([O-])c1ccc(CN(Cc2n[nH]c3ccccc32)C2CC2)cc1 ZINC000611254769 1019421732 /nfs/dbraw/zinc/42/17/32/1019421732.db2.gz RULLWTFCSNVYPB-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000611370283 1019455916 /nfs/dbraw/zinc/45/59/16/1019455916.db2.gz FOWLEMNOTJNMAG-OCCSQVGLSA-N 1 0 317.414 3.904 20 5 DHBDRO CSCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128205885 1019465983 /nfs/dbraw/zinc/46/59/83/1019465983.db2.gz FTVFZTGSKGLRSW-UHFFFAOYSA-N 1 0 306.387 3.650 20 5 DHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611411628 1019477461 /nfs/dbraw/zinc/47/74/61/1019477461.db2.gz GKXMLSGOKYZQPM-GXTWGEPZSA-N 1 0 317.414 3.904 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000611475690 1019498036 /nfs/dbraw/zinc/49/80/36/1019498036.db2.gz ABPSOMWITCXOJA-KBPBESRZSA-N 1 0 310.344 3.693 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000368774021 1019548086 /nfs/dbraw/zinc/54/80/86/1019548086.db2.gz XXBQDWOAFUZDBP-CYBMUJFWSA-N 1 0 322.368 3.836 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000079121381 1019676446 /nfs/dbraw/zinc/67/64/46/1019676446.db2.gz ITNSCZLHVKAAJV-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H](C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000727436968 1019705607 /nfs/dbraw/zinc/70/56/07/1019705607.db2.gz ASEOBUIFMAKDCJ-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO Cc1nc(C)c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000179240156 1019921155 /nfs/dbraw/zinc/92/11/55/1019921155.db2.gz KSDFKWKZCOZZOW-UHFFFAOYSA-N 1 0 317.414 3.833 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000316564272 1019929739 /nfs/dbraw/zinc/92/97/39/1019929739.db2.gz JZWVLNJNGBSFAH-ZDUSSCGKSA-N 1 0 309.410 3.526 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](OC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000154093842 1020072777 /nfs/dbraw/zinc/07/27/77/1020072777.db2.gz AYTUKJSABMPBON-MLGOLLRUSA-N 1 0 324.421 3.705 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc3c[nH]nc3c2)C2CC2)cc1 ZINC000154255141 1020085827 /nfs/dbraw/zinc/08/58/27/1020085827.db2.gz JKPJWXKDDZOKDS-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO CC(C)(COCc1ccccc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000389956841 1020163637 /nfs/dbraw/zinc/16/36/37/1020163637.db2.gz HHYJMBBTFIPSHD-UHFFFAOYSA-N 1 0 314.385 3.680 20 5 DHBDRO Cc1ccc([C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000390942916 1020237248 /nfs/dbraw/zinc/23/72/48/1020237248.db2.gz KVYQQIFJPNHEHR-GDBMZVCRSA-N 1 0 319.449 3.676 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330641018 1020237512 /nfs/dbraw/zinc/23/75/12/1020237512.db2.gz QPWNIACNIPPHKE-UKRRQHHQSA-N 1 0 306.406 3.623 20 5 DHBDRO COCC1(C)CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000330697241 1020240151 /nfs/dbraw/zinc/24/01/51/1020240151.db2.gz FBUYCBXPAQRJIA-AWEZNQCLSA-N 1 0 306.406 3.713 20 5 DHBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000766002975 1020321015 /nfs/dbraw/zinc/32/10/15/1020321015.db2.gz MHDXQMDBDPTJOX-CQSZACIVSA-N 1 0 317.433 3.732 20 5 DHBDRO C[NH+](C)Cc1cccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000612177475 1020379793 /nfs/dbraw/zinc/37/97/93/1020379793.db2.gz DRPMHJKGRCJAFL-UHFFFAOYSA-N 1 0 319.792 3.922 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC001168740967 1020450676 /nfs/dbraw/zinc/45/06/76/1020450676.db2.gz BQZCVYFSAMMUQR-HZPDHXFCSA-N 1 0 304.390 3.595 20 5 DHBDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000298706274 1020457963 /nfs/dbraw/zinc/45/79/63/1020457963.db2.gz RKUAKSHHHXEWCO-LBPRGKRZSA-N 1 0 316.357 3.550 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000765845222 1020478371 /nfs/dbraw/zinc/47/83/71/1020478371.db2.gz NONXUMLQPSEMDK-ZWKOTPCHSA-N 1 0 314.385 3.759 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000765846811 1020492670 /nfs/dbraw/zinc/49/26/70/1020492670.db2.gz YUDOQCZPCPTDMG-MSOLQXFVSA-N 1 0 314.385 3.678 20 5 DHBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000235575124 1020531628 /nfs/dbraw/zinc/53/16/28/1020531628.db2.gz USDWTVYKWGBKQE-GXSJLCMTSA-N 1 0 313.195 3.636 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000554401618 1020544097 /nfs/dbraw/zinc/54/40/97/1020544097.db2.gz FGCVXTPPNWCDSA-KPPDAEKUSA-N 1 0 302.296 3.895 20 5 DHBDRO CC(C)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000123146055 1020556205 /nfs/dbraw/zinc/55/62/05/1020556205.db2.gz IYKUAXFBNYISPO-GOSISDBHSA-N 1 0 313.401 3.909 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000480642921 1020597267 /nfs/dbraw/zinc/59/72/67/1020597267.db2.gz NVZDPDMTENYCOE-KFWWJZLASA-N 1 0 305.422 3.508 20 5 DHBDRO CC(C)(NCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccs1 ZINC000612517125 1020600933 /nfs/dbraw/zinc/60/09/33/1020600933.db2.gz JMUTUAPIJPLGFX-UHFFFAOYSA-N 1 0 317.370 3.822 20 5 DHBDRO CCOc1cc(NC[C@H](C(C)C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000537792154 1032915006 /nfs/dbraw/zinc/91/50/06/1032915006.db2.gz KMIKQRBTECCYMB-MRXNPFEDSA-N 1 0 321.421 3.526 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(C)(C)C)CC1 ZINC000734836062 1020667793 /nfs/dbraw/zinc/66/77/93/1020667793.db2.gz XGQYOJAJYPRFFW-UHFFFAOYSA-N 1 0 306.406 3.862 20 5 DHBDRO C[NH+](C)CC(C)(C)CNc1cc2cccnc2c2ncccc12 ZINC001168769720 1020687183 /nfs/dbraw/zinc/68/71/83/1020687183.db2.gz XKMVIYVVWAKQRW-UHFFFAOYSA-N 1 0 308.429 3.783 20 5 DHBDRO CCCCCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000735647277 1020759376 /nfs/dbraw/zinc/75/93/76/1020759376.db2.gz XSYZXOVEWWGKCF-UHFFFAOYSA-N 1 0 321.421 3.662 20 5 DHBDRO COCC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414207320 1020996629 /nfs/dbraw/zinc/99/66/29/1020996629.db2.gz QRYBHRZRQPHTEG-YQQAZPJKSA-N 1 0 320.433 3.568 20 5 DHBDRO COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000537952492 1032950918 /nfs/dbraw/zinc/95/09/18/1032950918.db2.gz HZJWNZJSLRQMPE-KBXCAEBGSA-N 1 0 314.385 3.942 20 5 DHBDRO Cc1c(C[NH2+]CC2(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000917137414 1021193834 /nfs/dbraw/zinc/19/38/34/1021193834.db2.gz PWXTYTXKEHZDRX-UHFFFAOYSA-N 1 0 314.360 3.864 20 5 DHBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000537983625 1032962151 /nfs/dbraw/zinc/96/21/51/1032962151.db2.gz SACRIBXUAWSVQG-ZDUSSCGKSA-N 1 0 317.364 3.802 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)cc1 ZINC000776276459 1021220063 /nfs/dbraw/zinc/22/00/63/1021220063.db2.gz KAIJZDXKITWLEX-MSOLQXFVSA-N 1 0 318.417 3.673 20 5 DHBDRO CCCC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H](C)CC ZINC000917437818 1021260317 /nfs/dbraw/zinc/26/03/17/1021260317.db2.gz LRJNIJPPNCRZMN-CYBMUJFWSA-N 1 0 304.394 3.803 20 5 DHBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000917620705 1021323044 /nfs/dbraw/zinc/32/30/44/1021323044.db2.gz VLZJOGDQRKPGLA-INIZCTEOSA-N 1 0 314.389 3.557 20 5 DHBDRO Cc1ccc([C@H](C)NCc2ccncc2Cl)cc1[N+](=O)[O-] ZINC000181832843 1021361585 /nfs/dbraw/zinc/36/15/85/1021361585.db2.gz FFSBYMYNXRVNKG-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO COc1ccc(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000189451444 1021362240 /nfs/dbraw/zinc/36/22/40/1021362240.db2.gz JONXYTNGFQDZPK-UHFFFAOYSA-N 1 0 314.385 3.714 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850530187 1021582742 /nfs/dbraw/zinc/58/27/42/1021582742.db2.gz WMQYCLQGMODCQI-ULFGMLNVSA-N 1 0 312.369 3.732 20 5 DHBDRO CC(C)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000850559094 1021603465 /nfs/dbraw/zinc/60/34/65/1021603465.db2.gz XHWYXFOGARWTMQ-GOSISDBHSA-N 1 0 317.433 3.588 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1SCCS1)CCCC2 ZINC000850559912 1021606414 /nfs/dbraw/zinc/60/64/14/1021606414.db2.gz GUVHMYYRPCYQLG-CQSZACIVSA-N 1 0 324.471 3.758 20 5 DHBDRO O=[N+]([O-])c1cccc(CCNc2cc[nH+]c3c(O)cccc23)c1 ZINC000619487331 1021769891 /nfs/dbraw/zinc/76/98/91/1021769891.db2.gz VTHJODGECDLOJW-UHFFFAOYSA-N 1 0 309.325 3.503 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000746054435 1021836824 /nfs/dbraw/zinc/83/68/24/1021836824.db2.gz SFSPJKAIBUKJDX-HNNXBMFYSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000037562948 1021838686 /nfs/dbraw/zinc/83/86/86/1021838686.db2.gz UBMJLSQFTBKHCR-AWEZNQCLSA-N 1 0 306.387 3.906 20 5 DHBDRO Cc1nn(C[N@@H+](CCC(C)C)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000746064208 1021844336 /nfs/dbraw/zinc/84/43/36/1021844336.db2.gz IJJZDBQNWNVZGH-UHFFFAOYSA-N 1 0 308.426 3.656 20 5 DHBDRO COc1cccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1F ZINC000619715444 1021845935 /nfs/dbraw/zinc/84/59/35/1021845935.db2.gz FOZKGTTXJVIQMK-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc2ccccc2[nH]1 ZINC000619846230 1021921899 /nfs/dbraw/zinc/92/18/99/1021921899.db2.gz OZJXNURILWVLMN-UHFFFAOYSA-N 1 0 309.369 3.751 20 5 DHBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000130689451 1021938217 /nfs/dbraw/zinc/93/82/17/1021938217.db2.gz WSCJJCXNMFEWSL-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000538267576 1033022064 /nfs/dbraw/zinc/02/20/64/1033022064.db2.gz PTYKQQXLNHAVJO-MRXNPFEDSA-N 1 0 318.398 3.776 20 5 DHBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290484685 1022048543 /nfs/dbraw/zinc/04/85/43/1022048543.db2.gz OFOQPIUZDNWMPM-HNNXBMFYSA-N 1 0 314.389 3.580 20 5 DHBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580134 1022098069 /nfs/dbraw/zinc/09/80/69/1022098069.db2.gz RKSMMOGEFRYPMQ-HZPDHXFCSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000183350477 1022112416 /nfs/dbraw/zinc/11/24/16/1022112416.db2.gz SWCYZBLUQWQQIA-SFHVURJKSA-N 1 0 311.385 3.944 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000752313929 1022124303 /nfs/dbraw/zinc/12/43/03/1022124303.db2.gz JGXCPJVJHBANTD-MRXNPFEDSA-N 1 0 300.333 3.551 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1F ZINC000852593089 1022145945 /nfs/dbraw/zinc/14/59/45/1022145945.db2.gz CFPRBYOKNRNTRQ-QGZVFWFLSA-N 1 0 322.380 3.515 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccsc3)cc2)C1 ZINC001168984989 1022199946 /nfs/dbraw/zinc/19/99/46/1022199946.db2.gz RMHHKFWGSSHRQI-WMLDXEAASA-N 1 0 316.426 3.950 20 5 DHBDRO C[C@]12CC3CC([NH2+][C@@H]4CC[C@@H](C[N+](=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC001168965548 1022202137 /nfs/dbraw/zinc/20/21/37/1022202137.db2.gz AMCKPEBKVULKOW-VWPCXCKMSA-N 1 0 306.450 3.770 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC001168967916 1022204179 /nfs/dbraw/zinc/20/41/79/1022204179.db2.gz UOBAHPHQLQEKRC-GXFFZTMASA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)C1 ZINC001168966536 1022204304 /nfs/dbraw/zinc/20/43/04/1022204304.db2.gz JEEQGZIJXWQZBR-GHMZBOCLSA-N 1 0 317.216 3.571 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(F)c1 ZINC001168974446 1022208052 /nfs/dbraw/zinc/20/80/52/1022208052.db2.gz QKGBICBTNWATAO-JFGNBEQYSA-N 1 0 300.761 3.575 20 5 DHBDRO Cc1ccccc1CC(C)(C)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169000589 1022210467 /nfs/dbraw/zinc/21/04/67/1022210467.db2.gz XTVQXLZQWKNHSZ-RDJZCZTQSA-N 1 0 304.434 3.599 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC001169006387 1022212762 /nfs/dbraw/zinc/21/27/62/1022212762.db2.gz HHOVNWJPRXSFGP-OAUYIBNBSA-N 1 0 322.836 3.869 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2c3ccccc3-c3ccccc32)C1 ZINC001169004965 1022213408 /nfs/dbraw/zinc/21/34/08/1022213408.db2.gz SVSZSYXNWSDKFK-CABCVRRESA-N 1 0 322.408 3.834 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)cc(Cl)c1 ZINC001169004166 1022213483 /nfs/dbraw/zinc/21/34/83/1022213483.db2.gz QIRZZSBOCICLIZ-ISTVAULSSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC001168988169 1022217479 /nfs/dbraw/zinc/21/74/79/1022217479.db2.gz OQXWNLUZNROVRK-JKSUJKDBSA-N 1 0 318.417 3.543 20 5 DHBDRO C[N@H+](Cc1ccccc1C(F)(F)F)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169033592 1022218679 /nfs/dbraw/zinc/21/86/79/1022218679.db2.gz CDHSUQCFVLDJPE-AAEUAGOBSA-N 1 0 316.323 3.583 20 5 DHBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169032923 1022220028 /nfs/dbraw/zinc/22/00/28/1022220028.db2.gz AAAJEVDIHUXJMO-HFTRVMKXSA-N 1 0 318.417 3.668 20 5 DHBDRO CCC[NH+](CCC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104667087 1022222203 /nfs/dbraw/zinc/22/22/03/1022222203.db2.gz WWMZQKQHORBPNT-UHFFFAOYSA-N 1 0 317.389 3.914 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Cc3cccc(F)c3)CC2)C1 ZINC001169039289 1022222367 /nfs/dbraw/zinc/22/23/67/1022222367.db2.gz PHRVDYATTPULCG-FUHWJXTLSA-N 1 0 320.408 3.526 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001169039720 1022222377 /nfs/dbraw/zinc/22/23/77/1022222377.db2.gz SPXIJRBSLXUUCP-XNRPHZJLSA-N 1 0 308.809 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2cc(F)ccc2F)C1 ZINC001169038488 1022222718 /nfs/dbraw/zinc/22/27/18/1022222718.db2.gz ZDQDLMOLRKYMBW-KFNAQCHYSA-N 1 0 310.344 3.547 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](Cc2ccccn2)C2CCCCC2)C1 ZINC001169039128 1022222975 /nfs/dbraw/zinc/22/29/75/1022222975.db2.gz NMNXDPBJGSETAA-MAUKXSAKSA-N 1 0 317.433 3.662 20 5 DHBDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035641 1022223015 /nfs/dbraw/zinc/22/30/15/1022223015.db2.gz KYSYWMBIJLOKLQ-OCCSQVGLSA-N 1 0 316.323 3.583 20 5 DHBDRO CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041683 1022224840 /nfs/dbraw/zinc/22/48/40/1022224840.db2.gz CAGXBNJQFKFCTL-FMKPAKJESA-N 1 0 320.458 3.991 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)C1 ZINC001169048374 1022228488 /nfs/dbraw/zinc/22/84/88/1022228488.db2.gz UZJIYWJFTTUSLJ-AXAPSJFSSA-N 1 0 310.344 3.547 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3ccc(F)cc3F)CC2)C1 ZINC001169054901 1022232959 /nfs/dbraw/zinc/23/29/59/1022232959.db2.gz OCNDPVQPCRQWSF-SWLSCSKDSA-N 1 0 324.371 3.590 20 5 DHBDRO CC(C)[N@H+](CCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350419 1022279610 /nfs/dbraw/zinc/27/96/10/1022279610.db2.gz JOJQSJGFJSFHON-UHFFFAOYSA-N 1 0 314.385 3.884 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000609505561 1022296520 /nfs/dbraw/zinc/29/65/20/1022296520.db2.gz MDDMCIQDZYZDKW-NSHDSACASA-N 1 0 309.391 3.744 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(C)(C)O ZINC000609707845 1022335888 /nfs/dbraw/zinc/33/58/88/1022335888.db2.gz GLWQBHYIHYZTLX-LLVKDONJSA-N 1 0 320.414 3.572 20 5 DHBDRO C[C@@H]1CCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282146538 1022344695 /nfs/dbraw/zinc/34/46/95/1022344695.db2.gz SHVJWHFHTYPKQO-IUODEOHRSA-N 1 0 315.373 3.571 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000609916586 1022381071 /nfs/dbraw/zinc/38/10/71/1022381071.db2.gz YKQFGKKWVBWKBR-MRXNPFEDSA-N 1 0 314.360 3.799 20 5 DHBDRO C[N@H+](CCCCCCCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000175514526 1022392668 /nfs/dbraw/zinc/39/26/68/1022392668.db2.gz WDMVDLROFFISNO-UHFFFAOYSA-N 1 0 314.813 3.623 20 5 DHBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc2nccn21 ZINC000179696274 1022511898 /nfs/dbraw/zinc/51/18/98/1022511898.db2.gz XVNUEVMVDSKYSC-UHFFFAOYSA-N 1 0 324.384 3.653 20 5 DHBDRO CC(C)[N@H+](Cc1cnc2ccccn12)Cc1ccc([N+](=O)[O-])cc1 ZINC000158638925 1022651791 /nfs/dbraw/zinc/65/17/91/1022651791.db2.gz VQWUBEFPDQCJMP-UHFFFAOYSA-N 1 0 324.384 3.653 20 5 DHBDRO Cc1ncsc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314143 1022678280 /nfs/dbraw/zinc/67/82/80/1022678280.db2.gz QSCJCHJNAIOXJB-OAHLLOKOSA-N 1 0 317.414 3.917 20 5 DHBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311527 1022678952 /nfs/dbraw/zinc/67/89/52/1022678952.db2.gz OYMFLWKNFNWAKH-CXAGYDPISA-N 1 0 320.433 3.749 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)cccc1[N+](=O)[O-] ZINC000616289613 1022684203 /nfs/dbraw/zinc/68/42/03/1022684203.db2.gz DDBAXZTXRADCOU-MRXNPFEDSA-N 1 0 318.323 3.959 20 5 DHBDRO CC[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000616487715 1022734599 /nfs/dbraw/zinc/73/45/99/1022734599.db2.gz NJLFJZNYECLHHV-KRWDZBQOSA-N 1 0 316.357 3.514 20 5 DHBDRO c1cn(CCC[NH2+]Cc2c3ccccc3cc3ccccc32)nn1 ZINC000184249514 1022787198 /nfs/dbraw/zinc/78/71/98/1022787198.db2.gz RKYFRGIOOMXLFO-UHFFFAOYSA-N 1 0 316.408 3.764 20 5 DHBDRO CCOc1cc(C[N@@H+]2CC[C@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000617201096 1022888246 /nfs/dbraw/zinc/88/82/46/1022888246.db2.gz FJAYOZXIIDBFDP-AWEZNQCLSA-N 1 0 316.357 3.576 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc3c(c2)COC3)C2CC2)cc1 ZINC000768338008 1022948149 /nfs/dbraw/zinc/94/81/49/1022948149.db2.gz YCYIKSJAQLJAAB-UHFFFAOYSA-N 1 0 324.380 3.790 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccco3)C2)ccc1Cl ZINC000768541925 1022985742 /nfs/dbraw/zinc/98/57/42/1022985742.db2.gz MYMVPNOLFNHZPL-LBPRGKRZSA-N 1 0 306.749 3.831 20 5 DHBDRO COc1cc(C)c([N+](=O)[O-])cc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167753270 1023044721 /nfs/dbraw/zinc/04/47/21/1023044721.db2.gz NGOLJBOWUYQXFF-AWEZNQCLSA-N 1 0 321.421 3.588 20 5 DHBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccc1F ZINC000769029615 1023070041 /nfs/dbraw/zinc/07/00/41/1023070041.db2.gz LYDHWJSDCPBUGK-TWGQIWQCSA-N 1 0 314.360 3.922 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(OCC2CC2)CC1 ZINC000876771841 1033141729 /nfs/dbraw/zinc/14/17/29/1033141729.db2.gz ALBWBFWWKYHRSB-UHFFFAOYSA-N 1 0 318.417 3.603 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000481261784 1023711682 /nfs/dbraw/zinc/71/16/82/1023711682.db2.gz QGXZQXSEOPMRHS-PBHICJAKSA-N 1 0 300.402 3.862 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000746674390 1023784196 /nfs/dbraw/zinc/78/41/96/1023784196.db2.gz VUYJPCZVILMEJV-NSHDSACASA-N 1 0 306.749 3.831 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000181813834 1023816482 /nfs/dbraw/zinc/81/64/82/1023816482.db2.gz GHIRSBJJFNJAME-MRXNPFEDSA-N 1 0 318.348 3.983 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500241 1023894914 /nfs/dbraw/zinc/89/49/14/1023894914.db2.gz ZOUQMAFVWFMLOV-SNVBAGLBSA-N 1 0 305.765 3.681 20 5 DHBDRO C[C@H]([NH2+]CC1(c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504049 1023896392 /nfs/dbraw/zinc/89/63/92/1023896392.db2.gz AIKXIKJHHQEUSQ-ZDUSSCGKSA-N 1 0 311.385 3.559 20 5 DHBDRO CC(C)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000788534637 1023907840 /nfs/dbraw/zinc/90/78/40/1023907840.db2.gz HMGTUTMKFZWOFC-HZPDHXFCSA-N 1 0 320.414 3.504 20 5 DHBDRO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000788571165 1023908933 /nfs/dbraw/zinc/90/89/33/1023908933.db2.gz JTAWXJDBRHSZFW-AWEZNQCLSA-N 1 0 313.401 3.953 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788585444 1023910621 /nfs/dbraw/zinc/91/06/21/1023910621.db2.gz VHXNTUOHBXOKPW-SECBINFHSA-N 1 0 323.755 3.820 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595432 1023911762 /nfs/dbraw/zinc/91/17/62/1023911762.db2.gz TYCPWRICZBOKCU-VXGBXAGGSA-N 1 0 317.364 3.770 20 5 DHBDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638906 1023917301 /nfs/dbraw/zinc/91/73/01/1023917301.db2.gz JYPHSTDDXWPSRK-PZROIBLQSA-N 1 0 311.385 3.761 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000788640592 1023917573 /nfs/dbraw/zinc/91/75/73/1023917573.db2.gz SULRRRGTSJQFRG-SJCJKPOMSA-N 1 0 311.385 3.824 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788813437 1023945215 /nfs/dbraw/zinc/94/52/15/1023945215.db2.gz HQFCXTDAJJNEGW-LBPRGKRZSA-N 1 0 324.384 3.552 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000893569057 1024124104 /nfs/dbraw/zinc/12/41/04/1024124104.db2.gz MACXEPVLXKNDTL-VIFPVBQESA-N 1 0 311.794 3.598 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000130727569 1024210057 /nfs/dbraw/zinc/21/00/57/1024210057.db2.gz MIOFOBHZNVTOQZ-QZTJIDSGSA-N 1 0 314.385 3.678 20 5 DHBDRO CC[C@@H](NC1CC[NH+](C2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268995747 1024216249 /nfs/dbraw/zinc/21/62/49/1024216249.db2.gz KMMLKWZGTBKBEY-GOSISDBHSA-N 1 0 317.433 3.652 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000269044108 1024230131 /nfs/dbraw/zinc/23/01/31/1024230131.db2.gz UQTIMWFAMKVDFV-WDEREUQCSA-N 1 0 320.311 3.521 20 5 DHBDRO COc1ccc(C[NH2+]C/C(C)=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000520214679 1024262651 /nfs/dbraw/zinc/26/26/51/1024262651.db2.gz RYKVCMGXZGBZLI-UVTDQMKNSA-N 1 0 312.369 3.797 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000531725101 1024295803 /nfs/dbraw/zinc/29/58/03/1024295803.db2.gz NBFOZAHTWGRICT-XJKSGUPXSA-N 1 0 306.406 3.759 20 5 DHBDRO CC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC(F)(F)C1 ZINC000883254824 1024323638 /nfs/dbraw/zinc/32/36/38/1024323638.db2.gz DFURUHKSFSJFOT-AWEZNQCLSA-N 1 0 324.371 3.941 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000883353511 1024400525 /nfs/dbraw/zinc/40/05/25/1024400525.db2.gz VWKZGQPTVUMMON-WBAXXEDZSA-N 1 0 318.417 3.767 20 5 DHBDRO CC(C)[C@@H](C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270582653 1024405762 /nfs/dbraw/zinc/40/57/62/1024405762.db2.gz IXJKMSAMGJPZNS-GFCCVEGCSA-N 1 0 303.362 3.726 20 5 DHBDRO CC[N@H+](CCc1nccs1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270789640 1024429448 /nfs/dbraw/zinc/42/94/48/1024429448.db2.gz JQULAHDEHRGIKF-LBPRGKRZSA-N 1 0 305.403 3.677 20 5 DHBDRO Cc1c(C[NH2+][C@H]2c3ccccc3NC2(C)C)cccc1[N+](=O)[O-] ZINC000883462901 1024440863 /nfs/dbraw/zinc/44/08/63/1024440863.db2.gz CWMPMVXYMSQXEX-KRWDZBQOSA-N 1 0 311.385 3.938 20 5 DHBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001320408485 1024441457 /nfs/dbraw/zinc/44/14/57/1024441457.db2.gz KIJPYIMXPFWUCU-UWVGGRQHSA-N 1 0 313.195 3.730 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000520303617 1024446757 /nfs/dbraw/zinc/44/67/57/1024446757.db2.gz JZFPPBBNRWVTKZ-KDOFPFPSSA-N 1 0 320.433 3.885 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000271267617 1024480283 /nfs/dbraw/zinc/48/02/83/1024480283.db2.gz ACBMJSPWYMZCJO-JTQLQIEISA-N 1 0 321.764 3.503 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000271295028 1024484629 /nfs/dbraw/zinc/48/46/29/1024484629.db2.gz SOGMOKCIIOUMOH-TZMCWYRMSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)C2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000453366202 1024488928 /nfs/dbraw/zinc/48/89/28/1024488928.db2.gz CWRTXNLKFOWTOM-CQSZACIVSA-N 1 0 320.433 3.885 20 5 DHBDRO CCC(C)(C)OCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453405077 1024504385 /nfs/dbraw/zinc/50/43/85/1024504385.db2.gz IULMINFTZDXTMA-INIZCTEOSA-N 1 0 320.433 3.711 20 5 DHBDRO CC1(C)C[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000453449284 1024529739 /nfs/dbraw/zinc/52/97/39/1024529739.db2.gz ZUYICESHQOEYEK-GUYCJALGSA-N 1 0 318.417 3.767 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000271520725 1024531025 /nfs/dbraw/zinc/53/10/25/1024531025.db2.gz PKWWHTSOUCNIOB-UKRRQHHQSA-N 1 0 304.390 3.656 20 5 DHBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000271550965 1024539009 /nfs/dbraw/zinc/53/90/09/1024539009.db2.gz QOKQKZZTPQCRAW-UKRRQHHQSA-N 1 0 312.797 3.541 20 5 DHBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)O1 ZINC000453628421 1024562233 /nfs/dbraw/zinc/56/22/33/1024562233.db2.gz JIOGYNPGWKRWFA-QWHCGFSZSA-N 1 0 316.357 3.512 20 5 DHBDRO CCC[NH+]1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000318979639 1024660894 /nfs/dbraw/zinc/66/08/94/1024660894.db2.gz DLVDREUGYPIODF-UHFFFAOYSA-N 1 0 313.348 3.819 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170325992 1024743891 /nfs/dbraw/zinc/74/38/91/1024743891.db2.gz ZUSPOHBXRXZSFN-UONOGXRCSA-N 1 0 320.433 3.950 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCCC23CC3)c([N+](=O)[O-])c1 ZINC001170353107 1024748078 /nfs/dbraw/zinc/74/80/78/1024748078.db2.gz VXFDTYMGWCEIOO-CYBMUJFWSA-N 1 0 304.390 3.553 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC001170354506 1024750608 /nfs/dbraw/zinc/75/06/08/1024750608.db2.gz MLSJOLTUOUYIPX-BBRMVZONSA-N 1 0 306.406 3.655 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC001170354507 1024751909 /nfs/dbraw/zinc/75/19/09/1024751909.db2.gz MLSJOLTUOUYIPX-CJNGLKHVSA-N 1 0 306.406 3.655 20 5 DHBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000792868208 1024811682 /nfs/dbraw/zinc/81/16/82/1024811682.db2.gz SDTICLKYVXYNEK-NEPJUHHUSA-N 1 0 321.377 3.902 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000877087692 1033236006 /nfs/dbraw/zinc/23/60/06/1033236006.db2.gz PLDSVPAUURIDMI-QMMMGPOBSA-N 1 0 309.580 3.532 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000539021486 1033248252 /nfs/dbraw/zinc/24/82/52/1033248252.db2.gz ZTHWHBMOBACTTA-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO CCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000793243574 1024960073 /nfs/dbraw/zinc/96/00/73/1024960073.db2.gz SXUUKGBHTGCFKA-ROUUACIJSA-N 1 0 314.385 3.587 20 5 DHBDRO Cc1ccc(C(C)(C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000353164264 1024976472 /nfs/dbraw/zinc/97/64/72/1024976472.db2.gz FBDROYQIIUETBK-SOFGYWHQSA-N 1 0 311.385 3.836 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000877139848 1033256226 /nfs/dbraw/zinc/25/62/26/1033256226.db2.gz CVCHTNQWDNDPOR-GOSISDBHSA-N 1 0 318.417 3.603 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877165616 1033261417 /nfs/dbraw/zinc/26/14/17/1033261417.db2.gz NYQAKGLNTHPUBE-SECBINFHSA-N 1 0 323.607 3.574 20 5 DHBDRO CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000353703791 1025207420 /nfs/dbraw/zinc/20/74/20/1025207420.db2.gz AWFQEDRGVYRWRM-ZDUSSCGKSA-N 1 0 322.405 3.624 20 5 DHBDRO CC(C)(C)[N@@H+]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804390699 1025270583 /nfs/dbraw/zinc/27/05/83/1025270583.db2.gz AWHDVRGZBRKSEN-UHFFFAOYSA-N 1 0 311.813 3.559 20 5 DHBDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353949229 1025302725 /nfs/dbraw/zinc/30/27/25/1025302725.db2.gz AOJNCABSLLYKTJ-GFCCVEGCSA-N 1 0 312.435 3.567 20 5 DHBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000897451938 1025341173 /nfs/dbraw/zinc/34/11/73/1025341173.db2.gz RZOJHKQJZNMHPY-ALCCZGGFSA-N 1 0 318.417 3.650 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000897458767 1025350162 /nfs/dbraw/zinc/35/01/62/1025350162.db2.gz DYZMLCWCJXEICI-CKEIUWERSA-N 1 0 320.433 3.882 20 5 DHBDRO C[C@H](C[NH2+]Cc1nc(Cl)cs1)c1ccccc1[N+](=O)[O-] ZINC000897463073 1025367418 /nfs/dbraw/zinc/36/74/18/1025367418.db2.gz ASPRVHHWMLQNCO-SECBINFHSA-N 1 0 311.794 3.598 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000897464042 1025367453 /nfs/dbraw/zinc/36/74/53/1025367453.db2.gz JUNRHNQEJHQAFC-PBHICJAKSA-N 1 0 318.417 3.637 20 5 DHBDRO CC[C@H]([NH2+]CCC1(COC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000293720702 1025368142 /nfs/dbraw/zinc/36/81/42/1025368142.db2.gz NPXVYSNEFRRGIJ-INIZCTEOSA-N 1 0 306.406 3.842 20 5 DHBDRO CCc1ncc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897469081 1025393677 /nfs/dbraw/zinc/39/36/77/1025393677.db2.gz CTQQWOQAOFWEJN-NSHDSACASA-N 1 0 305.403 3.507 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000584849773 1025418648 /nfs/dbraw/zinc/41/86/48/1025418648.db2.gz LDEMZRSHLFSSCQ-CKEIUWERSA-N 1 0 318.417 3.765 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804814794 1025486471 /nfs/dbraw/zinc/48/64/71/1025486471.db2.gz JLPZJGNRZNEGLL-FUNVUKJBSA-N 1 0 323.824 3.618 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000136818423 1025487636 /nfs/dbraw/zinc/48/76/36/1025487636.db2.gz DFJAOICZCSCQDL-ROUUACIJSA-N 1 0 314.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000886201998 1025558343 /nfs/dbraw/zinc/55/83/43/1025558343.db2.gz YVCRVUBAOWDSLP-KURKYZTESA-N 1 0 323.396 3.758 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886220956 1025562963 /nfs/dbraw/zinc/56/29/63/1025562963.db2.gz QDGDZBHOHJXZOV-XJKSGUPXSA-N 1 0 304.390 3.595 20 5 DHBDRO CC(C)[C@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877400408 1033294361 /nfs/dbraw/zinc/29/43/61/1033294361.db2.gz SWCJBJVISBEQPJ-FXQLRMTLSA-N 1 0 320.437 3.689 20 5 DHBDRO C[C@@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000886773908 1025891481 /nfs/dbraw/zinc/89/14/81/1025891481.db2.gz DIFTZPVIWLYMIT-RHSMWYFYSA-N 1 0 318.417 3.985 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000080962442 1025974484 /nfs/dbraw/zinc/97/44/84/1025974484.db2.gz CKTFOAVKMYKEET-LBPRGKRZSA-N 1 0 316.357 3.502 20 5 DHBDRO CCCC1CCC([N@H+](Cc2c([N+](=O)[O-])ncn2C)C(C)C)CC1 ZINC000356836499 1026188255 /nfs/dbraw/zinc/18/82/55/1026188255.db2.gz JFCFYSLQHDFBTG-UHFFFAOYSA-N 1 0 322.453 3.898 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2ccncc2)CC1 ZINC000289849278 1026197464 /nfs/dbraw/zinc/19/74/64/1026197464.db2.gz PWKNMXCAJSWTSJ-HWKANZROSA-N 1 0 323.396 3.883 20 5 DHBDRO COc1ccccc1CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182792529 1026525508 /nfs/dbraw/zinc/52/55/08/1026525508.db2.gz SQLGIUMMGXGAGO-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000280111176 1026595492 /nfs/dbraw/zinc/59/54/92/1026595492.db2.gz OVQLIBLBQKVVHP-IAQYHMDHSA-N 1 0 306.431 3.660 20 5 DHBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280166778 1026604870 /nfs/dbraw/zinc/60/48/70/1026604870.db2.gz FSONCCVBZFSYNT-OAHLLOKOSA-N 1 0 312.797 3.639 20 5 DHBDRO CC1=C(C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000280508993 1026662148 /nfs/dbraw/zinc/66/21/48/1026662148.db2.gz CVELVRJTZDWSIR-UHFFFAOYSA-N 1 0 313.357 3.792 20 5 DHBDRO C[C@@H](c1ccccn1)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000129365923 1026854094 /nfs/dbraw/zinc/85/40/94/1026854094.db2.gz GGNHQSHRZAPPKR-NSHDSACASA-N 1 0 305.765 3.836 20 5 DHBDRO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000811840386 1027099771 /nfs/dbraw/zinc/09/97/71/1027099771.db2.gz DULXNOQZZMGYPS-WBMJQRKESA-N 1 0 317.364 3.837 20 5 DHBDRO C[C@H]1C[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000228852782 1027149542 /nfs/dbraw/zinc/14/95/42/1027149542.db2.gz IJBKLTKFVMWOCC-IUCAKERBSA-N 1 0 318.204 3.796 20 5 DHBDRO C[C@@H]1C[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000228852771 1027150283 /nfs/dbraw/zinc/15/02/83/1027150283.db2.gz IJBKLTKFVMWOCC-BDAKNGLRSA-N 1 0 318.204 3.796 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000362385007 1027174719 /nfs/dbraw/zinc/17/47/19/1027174719.db2.gz QBJWFJJNCJYKLM-HIFRSBDPSA-N 1 0 324.446 3.709 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362384840 1027175499 /nfs/dbraw/zinc/17/54/99/1027175499.db2.gz MLUJRNNCQLBQDM-UONOGXRCSA-N 1 0 324.446 3.580 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812851050 1027446187 /nfs/dbraw/zinc/44/61/87/1027446187.db2.gz PSDQVJOMANTLGO-KDOFPFPSSA-N 1 0 314.385 3.539 20 5 DHBDRO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852390 1027449360 /nfs/dbraw/zinc/44/93/60/1027449360.db2.gz FKFVOROCVMYRJH-MLGOLLRUSA-N 1 0 320.414 3.600 20 5 DHBDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000575348080 1027477400 /nfs/dbraw/zinc/47/74/00/1027477400.db2.gz RCKMPLVBSOFRDQ-ZWNOBZJWSA-N 1 0 302.296 3.892 20 5 DHBDRO CO[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000295976625 1027507038 /nfs/dbraw/zinc/50/70/38/1027507038.db2.gz KTZUACCISLNTRM-CJNGLKHVSA-N 1 0 306.406 3.711 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000562714948 1027578548 /nfs/dbraw/zinc/57/85/48/1027578548.db2.gz MABYDKZWPOIEAG-BBRMVZONSA-N 1 0 304.390 3.737 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000576478864 1027622023 /nfs/dbraw/zinc/62/20/23/1027622023.db2.gz FORAIHWOHJQSOL-SJKOYZFVSA-N 1 0 312.369 3.942 20 5 DHBDRO Cc1c(C[NH+]2CCC(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000363446990 1027638540 /nfs/dbraw/zinc/63/85/40/1027638540.db2.gz RMHAFHYCNVMKKV-UHFFFAOYSA-N 1 0 311.385 3.678 20 5 DHBDRO C[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000813630504 1027690633 /nfs/dbraw/zinc/69/06/33/1027690633.db2.gz NCARCIUDKRDENY-GFCCVEGCSA-N 1 0 323.824 3.559 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1C ZINC000933484760 1027741619 /nfs/dbraw/zinc/74/16/19/1027741619.db2.gz QIRGQLGQYUYNOQ-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000933489816 1027744366 /nfs/dbraw/zinc/74/43/66/1027744366.db2.gz JKENMLXYUILZAX-LLVKDONJSA-N 1 0 316.332 3.520 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(NC)cc1 ZINC000600679170 1027783809 /nfs/dbraw/zinc/78/38/09/1027783809.db2.gz ZVIRIETXOGNQLV-UHFFFAOYSA-N 1 0 301.346 3.647 20 5 DHBDRO CCn1ccnc1[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000297056717 1027787870 /nfs/dbraw/zinc/78/78/70/1027787870.db2.gz VTSMXCZZRDQEOE-CHWSQXEVSA-N 1 0 302.378 3.531 20 5 DHBDRO O=[N+]([O-])c1ccccc1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000007366500 1027798595 /nfs/dbraw/zinc/79/85/95/1027798595.db2.gz CFJAVBYGTZHHSQ-UHFFFAOYSA-N 1 0 311.385 3.803 20 5 DHBDRO CN(c1ccc2ccc3ccc(Cl)nc3c2n1)C(C)(C)C[NH3+] ZINC001159054544 1027877970 /nfs/dbraw/zinc/87/79/70/1027877970.db2.gz NPKZHIVLXIRDBQ-UHFFFAOYSA-N 1 0 314.820 3.610 20 5 DHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCSCC1 ZINC000779034791 1027947846 /nfs/dbraw/zinc/94/78/46/1027947846.db2.gz BYNGXKLLBCPYSC-JTQLQIEISA-N 1 0 314.838 3.870 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(C(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000601101836 1027985619 /nfs/dbraw/zinc/98/56/19/1027985619.db2.gz YRIJQCCMEIGHLV-JTQLQIEISA-N 1 0 307.300 3.778 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000601173594 1028012293 /nfs/dbraw/zinc/01/22/93/1028012293.db2.gz DIBWEOXPOJCYIU-HNNXBMFYSA-N 1 0 314.389 3.539 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000601304036 1028067244 /nfs/dbraw/zinc/06/72/44/1028067244.db2.gz JLEJRKUYNGBPGH-AFAVFJNCSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000601305361 1028072309 /nfs/dbraw/zinc/07/23/09/1028072309.db2.gz WMNUITHHCFDBGK-YOEHRIQHSA-N 1 0 318.417 3.985 20 5 DHBDRO COc1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)cc1[N+](=O)[O-] ZINC000295197767 1028074740 /nfs/dbraw/zinc/07/47/40/1028074740.db2.gz YFEIZDJJGDNGOZ-GFCCVEGCSA-N 1 0 314.332 3.519 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)c(Cl)c1 ZINC000934699063 1028079869 /nfs/dbraw/zinc/07/98/69/1028079869.db2.gz SQKGPWJZCDLHCI-INIZCTEOSA-N 1 0 317.776 3.884 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934836987 1028123262 /nfs/dbraw/zinc/12/32/62/1028123262.db2.gz QHVVXEJQXOOQKY-BZUAXINKSA-N 1 0 318.417 3.794 20 5 DHBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579279488 1028368136 /nfs/dbraw/zinc/36/81/36/1028368136.db2.gz LUSFMYXYDFIOCP-WBMJQRKESA-N 1 0 301.390 3.787 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368612164 1028385191 /nfs/dbraw/zinc/38/51/91/1028385191.db2.gz IFNQOFQYZLIGGG-GDBMZVCRSA-N 1 0 311.385 3.615 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000449214734 1028457259 /nfs/dbraw/zinc/45/72/59/1028457259.db2.gz YZXZQKPCDJMDNT-FRFSOERESA-N 1 0 320.433 3.709 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000449309052 1028528396 /nfs/dbraw/zinc/52/83/96/1028528396.db2.gz BNOHOYQDENJZBM-RBSFLKMASA-N 1 0 320.433 3.709 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000449319287 1028549835 /nfs/dbraw/zinc/54/98/35/1028549835.db2.gz JJWHKZAFXOHQJX-OLZOCXBDSA-N 1 0 324.384 3.753 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC000815575767 1028551966 /nfs/dbraw/zinc/55/19/66/1028551966.db2.gz ZQXVCQWOMJMRCL-LRDDRELGSA-N 1 0 314.389 3.764 20 5 DHBDRO Cc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815582306 1028553208 /nfs/dbraw/zinc/55/32/08/1028553208.db2.gz CBCKWZQSLGCVRY-CMPLNLGQSA-N 1 0 319.430 3.829 20 5 DHBDRO Cc1ccc([C@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815583021 1028554626 /nfs/dbraw/zinc/55/46/26/1028554626.db2.gz VGDMHSVRZWAZIP-KGLIPLIRSA-N 1 0 313.401 3.940 20 5 DHBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000815584293 1028554929 /nfs/dbraw/zinc/55/49/29/1028554929.db2.gz ZLMWKIJMJBAPTM-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583623 1028557554 /nfs/dbraw/zinc/55/75/54/1028557554.db2.gz KJULYMDDLKNXLV-CTHBEMJXSA-N 1 0 303.406 3.796 20 5 DHBDRO C[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000449346771 1028559130 /nfs/dbraw/zinc/55/91/30/1028559130.db2.gz DDQGGHFPHOAJGN-JSGCOSHPSA-N 1 0 321.380 3.894 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000565219696 1028560503 /nfs/dbraw/zinc/56/05/03/1028560503.db2.gz YAELCHIUYXHBTG-NUTKFTJISA-N 1 0 318.417 3.765 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000449481022 1028679977 /nfs/dbraw/zinc/67/99/77/1028679977.db2.gz QKINOKZPJINQCZ-LBPRGKRZSA-N 1 0 324.808 3.687 20 5 DHBDRO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449462328 1028683775 /nfs/dbraw/zinc/68/37/75/1028683775.db2.gz SJRMCMZTDZXNSP-PWSUYJOCSA-N 1 0 302.296 3.758 20 5 DHBDRO Cc1ncsc1CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449467277 1028685892 /nfs/dbraw/zinc/68/58/92/1028685892.db2.gz LLWGFDZXIHUVBL-UHFFFAOYSA-N 1 0 319.430 3.815 20 5 DHBDRO Cc1cccnc1CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449490513 1028702245 /nfs/dbraw/zinc/70/22/45/1028702245.db2.gz YGYRAHWCXGRPGU-UHFFFAOYSA-N 1 0 313.401 3.754 20 5 DHBDRO CCc1nocc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449503845 1028723536 /nfs/dbraw/zinc/72/35/36/1028723536.db2.gz UXDFRUONKLHGEU-AWEZNQCLSA-N 1 0 315.373 3.525 20 5 DHBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1(C)C ZINC000449504825 1028723857 /nfs/dbraw/zinc/72/38/57/1028723857.db2.gz WFAOSLZAKIBFGA-QGZVFWFLSA-N 1 0 320.433 3.965 20 5 DHBDRO Cc1cccnc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505398 1028728488 /nfs/dbraw/zinc/72/84/88/1028728488.db2.gz XHHDXFWIIIJXII-INIZCTEOSA-N 1 0 311.385 3.678 20 5 DHBDRO CCO[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000449510318 1028737412 /nfs/dbraw/zinc/73/74/12/1028737412.db2.gz XCGNAKACWQWIKY-ZLTRSOCKSA-N 1 0 318.417 3.745 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000566750218 1028776848 /nfs/dbraw/zinc/77/68/48/1028776848.db2.gz NHOATKQPSJSHDM-XJKSGUPXSA-N 1 0 304.390 3.737 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)cs1 ZINC000449564691 1028804841 /nfs/dbraw/zinc/80/48/41/1028804841.db2.gz GINWVFYQRUBDLI-UHFFFAOYSA-N 1 0 306.362 3.660 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000042096654 1028889748 /nfs/dbraw/zinc/88/97/48/1028889748.db2.gz JFMPFETXCWKPCS-CYBMUJFWSA-N 1 0 309.366 3.510 20 5 DHBDRO CN1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000449653958 1028890741 /nfs/dbraw/zinc/89/07/41/1028890741.db2.gz UICPEKGRIXPOQC-AWEZNQCLSA-N 1 0 317.414 3.717 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449708172 1028932299 /nfs/dbraw/zinc/93/22/99/1028932299.db2.gz UGZXRHPPSFUZST-KPKJPENVSA-N 1 0 313.357 3.653 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCC12CCOCC2 ZINC000567752329 1028946852 /nfs/dbraw/zinc/94/68/52/1028946852.db2.gz GMNFWYYDLZMUIP-WBVHZDCISA-N 1 0 316.401 3.521 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000449733547 1028950696 /nfs/dbraw/zinc/95/06/96/1028950696.db2.gz PAZCCYOXVCWOOU-INIZCTEOSA-N 1 0 306.431 3.622 20 5 DHBDRO CCC(CC)[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000568134094 1029012342 /nfs/dbraw/zinc/01/23/42/1029012342.db2.gz NPKPZIHOEXFIMJ-UHFFFAOYSA-N 1 0 321.421 3.742 20 5 DHBDRO Cc1ccc([C@H](C)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000373519028 1029070421 /nfs/dbraw/zinc/07/04/21/1029070421.db2.gz DUVNTNKLZRZOSL-OOHWJJMZSA-N 1 0 317.433 3.571 20 5 DHBDRO CNC(=O)[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000817414090 1029153461 /nfs/dbraw/zinc/15/34/61/1029153461.db2.gz BVSXHJHVJFZIAY-QGZVFWFLSA-N 1 0 318.420 3.561 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000570176415 1029326400 /nfs/dbraw/zinc/32/64/00/1029326400.db2.gz SDZOSFRPGDRLAB-SFHVURJKSA-N 1 0 321.380 3.896 20 5 DHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCC3CCCCCC3)CC2)n1 ZINC000570727877 1029410438 /nfs/dbraw/zinc/41/04/38/1029410438.db2.gz KBOPQMQQHZOLOL-UHFFFAOYSA-N 1 0 320.437 3.789 20 5 DHBDRO CC[N+](C)(C)Cc1ccccc1NCC(F)(F)c1ccccn1 ZINC001170910070 1029410582 /nfs/dbraw/zinc/41/05/82/1029410582.db2.gz YGCBCFKFQCZXPY-UHFFFAOYSA-N 1 0 320.407 3.882 20 5 DHBDRO [NH3+]C[C@H]1CC[C@H](COc2cc(F)c([N+](=O)[O-])cc2Cl)CC1 ZINC000818619638 1029422183 /nfs/dbraw/zinc/42/21/83/1029422183.db2.gz HLJASHWVHDEABV-MGCOHNPYSA-N 1 0 316.760 3.531 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000450686215 1029613122 /nfs/dbraw/zinc/61/31/22/1029613122.db2.gz MSHBWYSZYGXNLV-GOEBONIOSA-N 1 0 314.385 3.503 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCC1(F)F ZINC000450972978 1029753857 /nfs/dbraw/zinc/75/38/57/1029753857.db2.gz JPDQZVQSIHNIPV-AWEZNQCLSA-N 1 0 312.360 3.895 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000451167513 1029810475 /nfs/dbraw/zinc/81/04/75/1029810475.db2.gz UZYKYEKZHXWZKP-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451332986 1029850579 /nfs/dbraw/zinc/85/05/79/1029850579.db2.gz ADZADYBRGRVGJP-IIVZCXTMSA-N 1 0 318.417 3.671 20 5 DHBDRO CC(C)[C@@H](CO)[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000451612707 1029946365 /nfs/dbraw/zinc/94/63/65/1029946365.db2.gz MNPZPXLYBNRSQM-LXZKKBNFSA-N 1 0 308.422 3.535 20 5 DHBDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000865700935 1029982903 /nfs/dbraw/zinc/98/29/03/1029982903.db2.gz CRNFHIZNONZVSU-MRVPVSSYSA-N 1 0 311.794 3.864 20 5 DHBDRO Cc1csc([C@@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866256783 1030181798 /nfs/dbraw/zinc/18/17/98/1030181798.db2.gz POQRJFFLLOIHRP-MWLCHTKSSA-N 1 0 323.393 3.781 20 5 DHBDRO CC(C)c1cc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])on1 ZINC000866267666 1030189644 /nfs/dbraw/zinc/18/96/44/1030189644.db2.gz PSSPELQXEJAZNO-NSHDSACASA-N 1 0 321.352 3.566 20 5 DHBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267035 1030190188 /nfs/dbraw/zinc/19/01/88/1030190188.db2.gz YPSIRSXLIMMHRL-ZJUUUORDSA-N 1 0 321.352 3.621 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000866271803 1030194159 /nfs/dbraw/zinc/19/41/59/1030194159.db2.gz FBPIRBKTMCXVHZ-WBMJQRKESA-N 1 0 317.364 3.801 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCC(F)(F)CC1 ZINC000866309762 1030219956 /nfs/dbraw/zinc/21/99/56/1030219956.db2.gz BLXPXMUCRZFBSK-JTQLQIEISA-N 1 0 316.323 3.832 20 5 DHBDRO CC[C@H](C)[NH2+][C@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000557695952 1030251633 /nfs/dbraw/zinc/25/16/33/1030251633.db2.gz WZLDYXAPDXJPCO-WCQYABFASA-N 1 0 321.352 3.868 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC000290988307 1030273410 /nfs/dbraw/zinc/27/34/10/1030273410.db2.gz ZMDLAWBAPJQSJX-NSHDSACASA-N 1 0 319.188 3.560 20 5 DHBDRO CCSC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866392719 1030275483 /nfs/dbraw/zinc/27/54/83/1030275483.db2.gz IKNYKYRFQJUMLQ-LLVKDONJSA-N 1 0 312.410 3.540 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H]1CCCS1 ZINC000866480121 1030315814 /nfs/dbraw/zinc/31/58/14/1030315814.db2.gz FJQLTAVZSYTGFW-WCQYABFASA-N 1 0 310.419 3.540 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000866510182 1030335705 /nfs/dbraw/zinc/33/57/05/1030335705.db2.gz KMXCGUFAPXVXIF-YEWWUXTCSA-N 1 0 318.417 3.759 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533423300 1030344686 /nfs/dbraw/zinc/34/46/86/1030344686.db2.gz BUSHGTJSXFFRMZ-CQSZACIVSA-N 1 0 315.373 3.667 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000866527739 1030345255 /nfs/dbraw/zinc/34/52/55/1030345255.db2.gz NHZIGAUOAFBABU-ZBFHGGJFSA-N 1 0 318.417 3.761 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866538373 1030356846 /nfs/dbraw/zinc/35/68/46/1030356846.db2.gz RGWDOGCIZVCSEL-YEWWUXTCSA-N 1 0 318.417 3.617 20 5 DHBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000805839047 1030388799 /nfs/dbraw/zinc/38/87/99/1030388799.db2.gz NGTCJWRPZMQRKN-UKPHBRMFSA-N 1 0 320.433 3.775 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358357402 1030454096 /nfs/dbraw/zinc/45/40/96/1030454096.db2.gz VTTDJXRTQULAPT-ZWKOTPCHSA-N 1 0 319.449 3.898 20 5 DHBDRO Cc1ccc2ncc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])n2c1 ZINC000291674863 1030592630 /nfs/dbraw/zinc/59/26/30/1030592630.db2.gz GYSIKOXPDMRDAG-UHFFFAOYSA-N 1 0 324.384 3.576 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3CC(F)(F)C3)o2)c1 ZINC000291725354 1030617639 /nfs/dbraw/zinc/61/76/39/1030617639.db2.gz NCXHDTQCSDCIEX-UHFFFAOYSA-N 1 0 322.311 3.990 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(C3CC3)cc2F)cc1 ZINC000291787375 1030644680 /nfs/dbraw/zinc/64/46/80/1030644680.db2.gz VQCPULPZGGNMGM-UHFFFAOYSA-N 1 0 300.333 3.901 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@]1(C)CC1(Cl)Cl ZINC000824968152 1030688675 /nfs/dbraw/zinc/68/86/75/1030688675.db2.gz ASJMHVYYRYHREB-CYBMUJFWSA-N 1 0 317.216 3.967 20 5 DHBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)CO1 ZINC000076147785 1030746317 /nfs/dbraw/zinc/74/63/17/1030746317.db2.gz QAIXKWDJNJBVEP-KSSFIOAISA-N 1 0 312.369 3.557 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359080658 1030767443 /nfs/dbraw/zinc/76/74/43/1030767443.db2.gz GNYUAIXOFZMGQE-CYBMUJFWSA-N 1 0 308.426 3.529 20 5 DHBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000359085730 1030770356 /nfs/dbraw/zinc/77/03/56/1030770356.db2.gz UBJSXXJLPOPMDE-HNNXBMFYSA-N 1 0 320.437 3.673 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000926946346 1031010380 /nfs/dbraw/zinc/01/03/80/1031010380.db2.gz TUTOJNDWMBWNRY-XHNCKOQMSA-N 1 0 306.259 3.583 20 5 DHBDRO CCC[C@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000927021268 1031038096 /nfs/dbraw/zinc/03/80/96/1031038096.db2.gz MLNBNSKWWKEWEU-YPMHNXCESA-N 1 0 312.435 3.518 20 5 DHBDRO O=C(CC[NH2+]C1CCCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000844257485 1031038289 /nfs/dbraw/zinc/03/82/89/1031038289.db2.gz ZNWCKKLIEUGGSM-UHFFFAOYSA-N 1 0 319.405 3.626 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000927025192 1031041934 /nfs/dbraw/zinc/04/19/34/1031041934.db2.gz BKHJFZORFBIHIG-PVXIVEMSSA-N 1 0 306.431 3.846 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000927068041 1031068878 /nfs/dbraw/zinc/06/88/78/1031068878.db2.gz QCUKYCIGVOVWFB-PPHDSNJXSA-N 1 0 322.380 3.590 20 5 DHBDRO C[C@@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000192450347 1031167809 /nfs/dbraw/zinc/16/78/09/1031167809.db2.gz JSYSLBOHVQFIGX-LLVKDONJSA-N 1 0 320.418 3.593 20 5 DHBDRO C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017633 1031401086 /nfs/dbraw/zinc/40/10/86/1031401086.db2.gz DCSLAFJZEFICER-LLVKDONJSA-N 1 0 323.412 3.694 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000872027824 1031412588 /nfs/dbraw/zinc/41/25/88/1031412588.db2.gz MHCRYLNPBKGVKA-WCQYABFASA-N 1 0 310.419 3.536 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccncc1 ZINC000872041053 1031426320 /nfs/dbraw/zinc/42/63/20/1031426320.db2.gz PGSAFVYANADFJW-NEPJUHHUSA-N 1 0 303.337 3.583 20 5 DHBDRO CCC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872042031 1031428208 /nfs/dbraw/zinc/42/82/08/1031428208.db2.gz YWCRUELEFWZBSB-LBPRGKRZSA-N 1 0 310.369 3.591 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCc1ccncc1)C1CC1 ZINC000360471740 1031438609 /nfs/dbraw/zinc/43/86/09/1031438609.db2.gz CFPXCWNCUAGYQW-UHFFFAOYSA-N 1 0 311.385 3.587 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)SC ZINC000872050869 1031438748 /nfs/dbraw/zinc/43/87/48/1031438748.db2.gz DEOCVZACEPZNEB-VHSXEESVSA-N 1 0 300.449 3.719 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000872052092 1031440608 /nfs/dbraw/zinc/44/06/08/1031440608.db2.gz BQLBTZUSQJEJJB-RYUDHWBXSA-N 1 0 310.419 3.536 20 5 DHBDRO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000536842234 1031450622 /nfs/dbraw/zinc/45/06/22/1031450622.db2.gz XLYJOZHDRUDOAG-KPZWWZAWSA-N 1 0 314.360 3.800 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000536848099 1031453612 /nfs/dbraw/zinc/45/36/12/1031453612.db2.gz XQIUKXQRBHEGAL-UONOGXRCSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000872061122 1031453894 /nfs/dbraw/zinc/45/38/94/1031453894.db2.gz BUOAEKWERCHHKP-ZJUUUORDSA-N 1 0 309.366 3.645 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000536848096 1031454923 /nfs/dbraw/zinc/45/49/23/1031454923.db2.gz XQIUKXQRBHEGAL-KGLIPLIRSA-N 1 0 304.390 3.656 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@H]1CCO ZINC000872064697 1031460832 /nfs/dbraw/zinc/46/08/32/1031460832.db2.gz KAEAUPKXILSMSW-HUBLWGQQSA-N 1 0 324.446 3.518 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872068958 1031465181 /nfs/dbraw/zinc/46/51/81/1031465181.db2.gz KDRIQJDWXIBPTA-IUODEOHRSA-N 1 0 322.380 3.734 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000872071242 1031466908 /nfs/dbraw/zinc/46/69/08/1031466908.db2.gz LXPXCYMBPVIKQZ-KWBADKCTSA-N 1 0 312.460 3.719 20 5 DHBDRO Cc1cccnc1CCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872076842 1031472901 /nfs/dbraw/zinc/47/29/01/1031472901.db2.gz UIERIUHHNCVONR-CYBMUJFWSA-N 1 0 317.364 3.721 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCC(O)CC1 ZINC000872087467 1031483406 /nfs/dbraw/zinc/48/34/06/1031483406.db2.gz FEGOZWWASXJGMN-LKSINWNRSA-N 1 0 324.446 3.518 20 5 DHBDRO COCC(C)(C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000872104406 1031492984 /nfs/dbraw/zinc/49/29/84/1031492984.db2.gz DFPCXNYVHUHOOB-INIZCTEOSA-N 1 0 320.433 3.568 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000293703466 1031579207 /nfs/dbraw/zinc/57/92/07/1031579207.db2.gz OODGIBGAYLCJNX-SNVBAGLBSA-N 1 0 314.332 3.689 20 5 DHBDRO COc1ccc(CNCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000035368096 1031634545 /nfs/dbraw/zinc/63/45/45/1031634545.db2.gz YOLDVSJLPBSDPA-UHFFFAOYSA-N 1 0 306.749 3.547 20 5 DHBDRO CC(C)([NH3+])CNc1nc2c(ccc3ccccc32)nc1Cl ZINC001171196586 1031674996 /nfs/dbraw/zinc/67/49/96/1031674996.db2.gz YLDRASDAJKTJON-UHFFFAOYSA-N 1 0 300.793 3.586 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000873104805 1031712300 /nfs/dbraw/zinc/71/23/00/1031712300.db2.gz QZPPJTRBHNPTML-ZFWWWQNUSA-N 1 0 306.406 3.506 20 5 DHBDRO Cc1c(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873122821 1031718061 /nfs/dbraw/zinc/71/80/61/1031718061.db2.gz VGXIEXYEAHDOAM-STQMWFEESA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000873131379 1031719237 /nfs/dbraw/zinc/71/92/37/1031719237.db2.gz OQFXMMBNODXLGB-HNNXBMFYSA-N 1 0 318.417 3.651 20 5 DHBDRO C[C@H](C[N+](C)(C)C)O[C@@H]1CCc2cc(Br)ccc21 ZINC001224013251 1031734340 /nfs/dbraw/zinc/73/43/40/1031734340.db2.gz XYTXZKNXQLQBQS-IAQYHMDHSA-N 1 0 313.259 3.548 20 5 DHBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@@]1(F)Cl ZINC000846040515 1031835531 /nfs/dbraw/zinc/83/55/31/1031835531.db2.gz UZQHQMQTJDHHJT-OLZOCXBDSA-N 1 0 304.724 3.528 20 5 DHBDRO CO[C@@]1(C)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000361412767 1031915911 /nfs/dbraw/zinc/91/59/11/1031915911.db2.gz MPOABMJFPYXVSG-HNNXBMFYSA-N 1 0 312.797 3.639 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000846188255 1031921183 /nfs/dbraw/zinc/92/11/83/1031921183.db2.gz MRYXGMBOKNAKTB-DEYYWGMASA-N 1 0 314.385 3.542 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC12CCCC2 ZINC000898110861 1031949970 /nfs/dbraw/zinc/94/99/70/1031949970.db2.gz IAVJZXIMBWWQQK-PBHICJAKSA-N 1 0 318.417 3.607 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898326286 1032024217 /nfs/dbraw/zinc/02/42/17/1032024217.db2.gz VGKLMHBDLZPWPH-YZTRRJNXSA-N 1 0 309.369 3.744 20 5 DHBDRO CCCC[N@H+](CC)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955079 1032037527 /nfs/dbraw/zinc/03/75/27/1032037527.db2.gz LBJCTEKPXOKZMT-UHFFFAOYSA-N 1 0 302.378 3.538 20 5 DHBDRO CC[C@@]1(C)CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777963093 1032057313 /nfs/dbraw/zinc/05/73/13/1032057313.db2.gz GSAIIUGSVOIHLN-KRWDZBQOSA-N 1 0 314.389 3.538 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@](C)(O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000477867427 1033358368 /nfs/dbraw/zinc/35/83/68/1033358368.db2.gz TVTVKPYEAFOTJH-KDOFPFPSSA-N 1 0 320.433 3.885 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(c3ccncc3)CC1)CC2 ZINC001172901050 1033435365 /nfs/dbraw/zinc/43/53/65/1033435365.db2.gz IXIKCCCCTHFUMI-KRWDZBQOSA-N 1 0 323.396 3.516 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCc3cccnc31)CC2 ZINC001172901436 1033435467 /nfs/dbraw/zinc/43/54/67/1033435467.db2.gz NDWOPBXNWLOBJU-FUHWJXTLSA-N 1 0 323.396 3.514 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C[C@H]3CCC[C@@H]3C1)CC2 ZINC001172907908 1033440167 /nfs/dbraw/zinc/44/01/67/1033440167.db2.gz JLVLFRDRWXXMHU-BRWVUGGUSA-N 1 0 300.402 3.574 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)o1 ZINC001172895683 1033461232 /nfs/dbraw/zinc/46/12/32/1033461232.db2.gz HHRQRFNIPVJMRJ-OAHLLOKOSA-N 1 0 300.358 3.533 20 5 DHBDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000877813024 1033462626 /nfs/dbraw/zinc/46/26/26/1033462626.db2.gz IHHJLORVIUKKDR-CQSZACIVSA-N 1 0 317.414 3.658 20 5 DHBDRO C[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H]1C ZINC001172917849 1033464680 /nfs/dbraw/zinc/46/46/80/1033464680.db2.gz XMKXZPZYBPNMLB-JKIFEVAISA-N 1 0 302.418 3.963 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(CF)CC1)CC2 ZINC001172915096 1033464724 /nfs/dbraw/zinc/46/47/24/1033464724.db2.gz LFFFYXLXNOZYDN-MRXNPFEDSA-N 1 0 306.381 3.524 20 5 DHBDRO CCC[N@H+](CC1CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910020 1033483248 /nfs/dbraw/zinc/48/32/48/1033483248.db2.gz WMWXAQIZCASUQH-QGZVFWFLSA-N 1 0 302.418 3.964 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c1F ZINC001173181732 1033581510 /nfs/dbraw/zinc/58/15/10/1033581510.db2.gz PXCCWFZNCGOKED-NWDGAFQWSA-N 1 0 324.396 3.842 20 5 DHBDRO CCCCC[N@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184784 1033584438 /nfs/dbraw/zinc/58/44/38/1033584438.db2.gz OXSSXIPOXMCJQT-LBPRGKRZSA-N 1 0 312.385 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCCC[C@@H]2C)c1F ZINC001173190081 1033584654 /nfs/dbraw/zinc/58/46/54/1033584654.db2.gz QAZOKDWCAKDRLF-QWHCGFSZSA-N 1 0 324.396 3.938 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@H](C)CC23CC3)c1F ZINC001173191699 1033585101 /nfs/dbraw/zinc/58/51/01/1033585101.db2.gz GKMQIBXHCYOWRE-VXGBXAGGSA-N 1 0 322.380 3.548 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173197363 1033590809 /nfs/dbraw/zinc/59/08/09/1033590809.db2.gz UNLUWAYDNLZKMY-CHWSQXEVSA-N 1 0 324.396 3.796 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215222 1033597885 /nfs/dbraw/zinc/59/78/85/1033597885.db2.gz UJZGEXQUUQWTOU-ZIAGYGMSSA-N 1 0 316.376 3.886 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)cc1F ZINC001173217441 1033598569 /nfs/dbraw/zinc/59/85/69/1033598569.db2.gz UVIHJPDTEDSWPX-LLVKDONJSA-N 1 0 306.312 3.594 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2ccncc21 ZINC001173224779 1033602682 /nfs/dbraw/zinc/60/26/82/1033602682.db2.gz GZYDSLXRZFFIOO-FZKQIMNGSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)Cc1cccnc1 ZINC001173227507 1033605389 /nfs/dbraw/zinc/60/53/89/1033605389.db2.gz GLKXXUPJKSDIIZ-CQSZACIVSA-N 1 0 313.401 3.532 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001173228379 1033605856 /nfs/dbraw/zinc/60/58/56/1033605856.db2.gz VTXOBXIQDUQEOQ-AAEUAGOBSA-N 1 0 316.323 3.800 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001173233906 1033608448 /nfs/dbraw/zinc/60/84/48/1033608448.db2.gz LDRALKSMCCRBFT-FZKQIMNGSA-N 1 0 311.385 3.662 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOc1ccccc1 ZINC001173231544 1033609219 /nfs/dbraw/zinc/60/92/19/1033609219.db2.gz AONAPIBCXUSRDA-OAHLLOKOSA-N 1 0 314.385 3.585 20 5 DHBDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001173232003 1033609410 /nfs/dbraw/zinc/60/94/10/1033609410.db2.gz CHVFSZHVYBMUCW-RDTXWAMCSA-N 1 0 313.401 3.908 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc2ccccc2n1C ZINC001173213484 1033615093 /nfs/dbraw/zinc/61/50/93/1033615093.db2.gz HVRANKWJQJBDMI-CQSZACIVSA-N 1 0 323.396 3.807 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)cc1[N+](=O)[O-] ZINC000878371022 1033678975 /nfs/dbraw/zinc/67/89/75/1033678975.db2.gz FOQCBKYUBZDROP-UKRRQHHQSA-N 1 0 304.390 3.513 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC(F)(F)C1 ZINC000862284607 1033810887 /nfs/dbraw/zinc/81/08/87/1033810887.db2.gz KQEPUPLMQQGNSJ-MRVPVSSYSA-N 1 0 304.724 3.772 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266041291 1033904865 /nfs/dbraw/zinc/90/48/65/1033904865.db2.gz VYCLQCGVLDEYIU-AWEZNQCLSA-N 1 0 304.390 3.548 20 5 DHBDRO Cc1c([C@H](C)NCC2([NH+](C)C)CCCCC2)cccc1[N+](=O)[O-] ZINC000480087777 1034055397 /nfs/dbraw/zinc/05/53/97/1034055397.db2.gz YQVVWPYEOMVYJD-HNNXBMFYSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1c(CNc2ccc(C[NH+](C)C)cc2F)cccc1[N+](=O)[O-] ZINC000864039661 1034268937 /nfs/dbraw/zinc/26/89/37/1034268937.db2.gz HLOLXYOBQZCGJQ-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)cccc1[N+](=O)[O-] ZINC000480543820 1034308091 /nfs/dbraw/zinc/30/80/91/1034308091.db2.gz XQFRRUUAMXATSA-CABCVRRESA-N 1 0 307.438 3.530 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000480618833 1034352973 /nfs/dbraw/zinc/35/29/73/1034352973.db2.gz WSTULPYHHKXJJA-OAGGEKHMSA-N 1 0 319.449 3.817 20 5 DHBDRO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000480642920 1034363139 /nfs/dbraw/zinc/36/31/39/1034363139.db2.gz NVZDPDMTENYCOE-ILXRZTDVSA-N 1 0 305.422 3.508 20 5 DHBDRO Cc1ccc(C[N@@H+](C)C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000183253644 1034367340 /nfs/dbraw/zinc/36/73/40/1034367340.db2.gz QYAXOJMZDVLTSQ-LBPRGKRZSA-N 1 0 305.403 3.595 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927164542 1034434100 /nfs/dbraw/zinc/43/41/00/1034434100.db2.gz XPCISRNZVXWYQI-RHSMWYFYSA-N 1 0 318.417 3.607 20 5 DHBDRO Cc1c([C@@H](C)NC[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000480904019 1034493621 /nfs/dbraw/zinc/49/36/21/1034493621.db2.gz HOWLAOYWOHSYMV-GOEBONIOSA-N 1 0 319.449 3.676 20 5 DHBDRO C[C@@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000481028078 1034560471 /nfs/dbraw/zinc/56/04/71/1034560471.db2.gz XRUSFRYQSBPRCU-LSDHHAIUSA-N 1 0 319.449 3.756 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000481169731 1034626699 /nfs/dbraw/zinc/62/66/99/1034626699.db2.gz FKCLYFVFWIARNR-IMJJTQAJSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000186571574 1034644603 /nfs/dbraw/zinc/64/46/03/1034644603.db2.gz VKJVZICMVSAFHE-ZYHUDNBSSA-N 1 0 305.403 3.814 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000186724941 1034655939 /nfs/dbraw/zinc/65/59/39/1034655939.db2.gz VZCLJBMBVSYZOE-ZYHUDNBSSA-N 1 0 305.403 3.814 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000600209170 1034816246 /nfs/dbraw/zinc/81/62/46/1034816246.db2.gz XVBKQCQJTLWANJ-UVTDQMKNSA-N 1 0 324.380 3.762 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000555720958 1034875589 /nfs/dbraw/zinc/87/55/89/1034875589.db2.gz BLMYKAZIUQMOAA-HUUCEWRRSA-N 1 0 304.390 3.614 20 5 DHBDRO CC(C)[N@H+](CCc1nccs1)Cc1csc([N+](=O)[O-])c1 ZINC000159834738 1035095335 /nfs/dbraw/zinc/09/53/35/1035095335.db2.gz AABSBSOSUVNZDP-UHFFFAOYSA-N 1 0 311.432 3.566 20 5 DHBDRO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000482497687 1035120558 /nfs/dbraw/zinc/12/05/58/1035120558.db2.gz DCMFGLHOBNUPLW-SGTLLEGYSA-N 1 0 314.360 3.800 20 5 DHBDRO Cc1cc(Nc2cc3nc4ccccc4nc3cc2N)cc(C)[nH+]1 ZINC001176055893 1035198196 /nfs/dbraw/zinc/19/81/96/1035198196.db2.gz NDZBRXVKGCOJJU-UHFFFAOYSA-N 1 0 315.380 3.543 20 5 DHBDRO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000483422672 1035268152 /nfs/dbraw/zinc/26/81/52/1035268152.db2.gz YBFHSKZARULJME-MCKRRDHZSA-N 1 0 318.417 3.745 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000483830600 1035303376 /nfs/dbraw/zinc/30/33/76/1035303376.db2.gz CWYJNVINFWNONA-XOKHGSTOSA-N 1 0 318.417 3.983 20 5 DHBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@@H+]1C ZINC000484640040 1035378680 /nfs/dbraw/zinc/37/86/80/1035378680.db2.gz PSFBRWVDQKPAAU-JSGCOSHPSA-N 1 0 321.421 3.667 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(F)cc2Cl)cc1 ZINC001177683528 1035386967 /nfs/dbraw/zinc/38/69/67/1035386967.db2.gz IESUVZGEKKHEIQ-UHFFFAOYSA-N 1 0 324.739 3.556 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000924798327 1035410442 /nfs/dbraw/zinc/41/04/42/1035410442.db2.gz MJZCLLDGAQDOMV-NEPJUHHUSA-N 1 0 314.341 3.735 20 5 DHBDRO COc1cc[nH+]c(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC001178386552 1035425190 /nfs/dbraw/zinc/42/51/90/1035425190.db2.gz CSSWZRYTBWNHCZ-UHFFFAOYSA-N 1 0 301.346 3.734 20 5 DHBDRO Cc1ccc(C[NH2+]CCC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC001178488025 1035431229 /nfs/dbraw/zinc/43/12/29/1035431229.db2.gz MHJKOLROPFBFIC-UHFFFAOYSA-N 1 0 310.397 3.798 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)cc1[N+](=O)[O-] ZINC001179320026 1035474350 /nfs/dbraw/zinc/47/43/50/1035474350.db2.gz ACEOECRBKANZDU-NVXWUHKLSA-N 1 0 320.433 3.747 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000494533781 1035536499 /nfs/dbraw/zinc/53/64/99/1035536499.db2.gz XHHIPQQAJONJQQ-XNRPHZJLSA-N 1 0 322.405 3.602 20 5 DHBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000190928084 1035644605 /nfs/dbraw/zinc/64/46/05/1035644605.db2.gz AQVCGGMMBDVVCH-CHWSQXEVSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC001203362585 1035673152 /nfs/dbraw/zinc/67/31/52/1035673152.db2.gz DKIJELYCWHCBKT-GOSISDBHSA-N 1 0 320.433 3.714 20 5 DHBDRO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC001180646802 1035736721 /nfs/dbraw/zinc/73/67/21/1035736721.db2.gz REARLIPYBOWJEU-GFCCVEGCSA-N 1 0 311.341 3.629 20 5 DHBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)[C@@H]1OC ZINC001194093281 1035845164 /nfs/dbraw/zinc/84/51/64/1035845164.db2.gz UDSRESFVIYQPKY-LYRGGWFBSA-N 1 0 324.396 3.663 20 5 DHBDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC001194193311 1035872282 /nfs/dbraw/zinc/87/22/82/1035872282.db2.gz SMYRPZIGKZKIOO-HOTGVXAUSA-N 1 0 306.406 3.668 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595075277 1035904083 /nfs/dbraw/zinc/90/40/83/1035904083.db2.gz XWYZUAVIEZHZTB-LBPRGKRZSA-N 1 0 324.446 3.787 20 5 DHBDRO C[C@@H]1CSCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000539840671 1035905269 /nfs/dbraw/zinc/90/52/69/1035905269.db2.gz JLKXAHKTFVWNMA-GFCCVEGCSA-N 1 0 318.398 3.792 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[N@H+](C)C2(CCCCC2)C1 ZINC001194477546 1035944174 /nfs/dbraw/zinc/94/41/74/1035944174.db2.gz MDVZRVLGAHAWGA-OAHLLOKOSA-N 1 0 317.433 3.606 20 5 DHBDRO CC(C)C1([NH2+]Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001194561392 1035961501 /nfs/dbraw/zinc/96/15/01/1035961501.db2.gz CWNDNQFAGOAUIY-UHFFFAOYSA-N 1 0 313.195 3.636 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C ZINC000540139907 1035982768 /nfs/dbraw/zinc/98/27/68/1035982768.db2.gz HOBTUPLQFKNLHL-CJNGLKHVSA-N 1 0 308.422 3.597 20 5 DHBDRO C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000494845605 1036086402 /nfs/dbraw/zinc/08/64/02/1036086402.db2.gz IKRAHCITENYOOS-SECBINFHSA-N 1 0 308.275 3.945 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC000540646264 1036125829 /nfs/dbraw/zinc/12/58/29/1036125829.db2.gz FBUDQCBOLMVXQT-UHFFFAOYSA-N 1 0 314.360 3.846 20 5 DHBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000774411868 1036321666 /nfs/dbraw/zinc/32/16/66/1036321666.db2.gz SKMUNWKGQSHNST-ROUUACIJSA-N 1 0 314.385 3.615 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000774516717 1036392118 /nfs/dbraw/zinc/39/21/18/1036392118.db2.gz BDZCBYZZKYZZKV-UXLLHSPISA-N 1 0 317.433 3.745 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCCCO1)CCC2 ZINC000193276018 1036460928 /nfs/dbraw/zinc/46/09/28/1036460928.db2.gz ZRHVRDYBXDNBPH-RDJZCZTQSA-N 1 0 304.390 3.521 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000495370072 1036572761 /nfs/dbraw/zinc/57/27/61/1036572761.db2.gz ZVJISRZWQXLCGE-IUODEOHRSA-N 1 0 306.406 3.900 20 5 DHBDRO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000443774519 1036582100 /nfs/dbraw/zinc/58/21/00/1036582100.db2.gz AHNMELZSDZIONO-KEYYUXOJSA-N 1 0 320.433 3.700 20 5 DHBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000774625066 1036583943 /nfs/dbraw/zinc/58/39/43/1036583943.db2.gz OIEITSTXHLNXRQ-DYVFJYSZSA-N 1 0 314.389 3.536 20 5 DHBDRO CC(C)[N@H+](CC1CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636831 1036601906 /nfs/dbraw/zinc/60/19/06/1036601906.db2.gz YLZNLQTUNVJKJM-UHFFFAOYSA-N 1 0 322.796 3.676 20 5 DHBDRO C[NH+]1CCC(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC001203571317 1036616616 /nfs/dbraw/zinc/61/66/16/1036616616.db2.gz JZULHPAJICNLNY-UHFFFAOYSA-N 1 0 312.373 3.543 20 5 DHBDRO C[C@@H]([N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1(C)CC1 ZINC000774638221 1036617389 /nfs/dbraw/zinc/61/73/89/1036617389.db2.gz QNIFRRIZSGKERI-SNVBAGLBSA-N 1 0 322.796 3.676 20 5 DHBDRO Cc1cccc(OCC[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000487681299 1036709706 /nfs/dbraw/zinc/70/97/06/1036709706.db2.gz YMGABLXDHFRZMZ-OAHLLOKOSA-N 1 0 314.385 3.975 20 5 DHBDRO C[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252477 1036986707 /nfs/dbraw/zinc/98/67/07/1036986707.db2.gz VOUHIHLMZRSOHC-MAQMMGONSA-N 1 0 304.365 3.602 20 5 DHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001184999291 1036999349 /nfs/dbraw/zinc/99/93/49/1036999349.db2.gz VZXBXZWVUJCIAW-FRRDWIJNSA-N 1 0 309.385 3.512 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000492786882 1037010829 /nfs/dbraw/zinc/01/08/29/1037010829.db2.gz ZZITVJXFRUPHCL-CXAGYDPISA-N 1 0 306.406 3.759 20 5 DHBDRO CCC(CC)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000488509806 1037053295 /nfs/dbraw/zinc/05/32/95/1037053295.db2.gz BBOQXYORJAELMI-ZDUSSCGKSA-N 1 0 321.421 3.680 20 5 DHBDRO CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774903864 1037196016 /nfs/dbraw/zinc/19/60/16/1037196016.db2.gz ALRZYGQEBMYCJX-GFCCVEGCSA-N 1 0 307.350 3.515 20 5 DHBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000489126525 1037269151 /nfs/dbraw/zinc/26/91/51/1037269151.db2.gz CFLLUWFLWWOYRI-UHFFFAOYSA-N 1 0 300.358 3.628 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000489154046 1037287018 /nfs/dbraw/zinc/28/70/18/1037287018.db2.gz OPLVABOBZXHURL-DOTOQJQBSA-N 1 0 317.433 3.524 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)c1cccc([N+](=O)[O-])c1 ZINC000193902061 1037306813 /nfs/dbraw/zinc/30/68/13/1037306813.db2.gz IWQHTUBIJORAFM-OLZOCXBDSA-N 1 0 312.369 3.942 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)COc2ccccc2F)cccc1[N+](=O)[O-] ZINC001199689798 1037310464 /nfs/dbraw/zinc/31/04/64/1037310464.db2.gz YVWIVQHKEUVKGS-LBPRGKRZSA-N 1 0 318.348 3.599 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000776016670 1037311497 /nfs/dbraw/zinc/31/14/97/1037311497.db2.gz UBSCGIZTANWDJZ-DLBZAZTESA-N 1 0 306.406 3.577 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000776028598 1037355173 /nfs/dbraw/zinc/35/51/73/1037355173.db2.gz DGNRWHDOMUKKJT-CQSZACIVSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@@H](C)[NH2+][C@H](CNc1ccsc1[N+](=O)[O-])c1ccco1 ZINC001186405362 1037389378 /nfs/dbraw/zinc/38/93/78/1037389378.db2.gz KACVZGOSHUGNAP-ZYHUDNBSSA-N 1 0 309.391 3.791 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090727881 1037442223 /nfs/dbraw/zinc/44/22/23/1037442223.db2.gz LDYWFEPBNXEYMP-RYUDHWBXSA-N 1 0 317.389 3.962 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc2c[nH+]cn2c1 ZINC001186661812 1037463635 /nfs/dbraw/zinc/46/36/35/1037463635.db2.gz MIBSZXBXADVJOO-UHFFFAOYSA-N 1 0 302.721 3.508 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c(F)c1 ZINC000490545010 1037730252 /nfs/dbraw/zinc/73/02/52/1037730252.db2.gz MWXTZXMKDKSYOO-MRXNPFEDSA-N 1 0 322.380 3.658 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC001201635145 1037800535 /nfs/dbraw/zinc/80/05/35/1037800535.db2.gz YYDPKGCXRXBEJE-HNNXBMFYSA-N 1 0 306.406 3.767 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)SC)cc1[N+](=O)[O-] ZINC000154090032 1037806112 /nfs/dbraw/zinc/80/61/12/1037806112.db2.gz MHEAJSNKDHKXJG-NSHDSACASA-N 1 0 312.435 3.786 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2cnccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000324251584 1037922952 /nfs/dbraw/zinc/92/29/52/1037922952.db2.gz HXHWOLAJJYFUBX-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO COc1cc(C[NH+]2CCC3(CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000586783449 1037967248 /nfs/dbraw/zinc/96/72/48/1037967248.db2.gz SLYJILHTNRLLHV-UHFFFAOYSA-N 1 0 308.353 3.509 20 5 DHBDRO Cc1cccc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000570935904 1038040276 /nfs/dbraw/zinc/04/02/76/1038040276.db2.gz LRLBECQFTHNSJH-XHSDSOJGSA-N 1 0 317.433 3.745 20 5 DHBDRO Cc1oc2ccccc2c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001202228293 1038094344 /nfs/dbraw/zinc/09/43/44/1038094344.db2.gz UBZKDZASSVEGPD-UHFFFAOYSA-N 1 0 310.353 3.982 20 5 DHBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000917040884 1038124448 /nfs/dbraw/zinc/12/44/48/1038124448.db2.gz WJTHIFYHYLLKPJ-CQSZACIVSA-N 1 0 312.369 3.593 20 5 DHBDRO CC[N@H+](CCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917059912 1038145019 /nfs/dbraw/zinc/14/50/19/1038145019.db2.gz RIZLHPHBXFBIDY-UHFFFAOYSA-N 1 0 302.349 3.799 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000589199936 1038449019 /nfs/dbraw/zinc/44/90/19/1038449019.db2.gz NPLXEGQBYGPFOE-NVXWUHKLSA-N 1 0 318.417 3.542 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000589199940 1038449924 /nfs/dbraw/zinc/44/99/24/1038449924.db2.gz NPLXEGQBYGPFOE-WBVHZDCISA-N 1 0 318.417 3.542 20 5 DHBDRO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000589343987 1038461592 /nfs/dbraw/zinc/46/15/92/1038461592.db2.gz FDBOSUSZEWCRAA-CABCVRRESA-N 1 0 307.438 3.674 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000590203761 1038604150 /nfs/dbraw/zinc/60/41/50/1038604150.db2.gz ZCOTXRDAFDVAOK-HUUCEWRRSA-N 1 0 304.390 3.614 20 5 DHBDRO CC(C)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC001192224940 1038610951 /nfs/dbraw/zinc/61/09/51/1038610951.db2.gz UDOFKCLPKNIOFR-UHFFFAOYSA-N 1 0 308.422 3.978 20 5 DHBDRO Cc1nc(C)c(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000590757626 1038699501 /nfs/dbraw/zinc/69/95/01/1038699501.db2.gz RZMHAUGXXYHSBQ-HNNXBMFYSA-N 1 0 315.373 3.579 20 5 DHBDRO C[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000590780105 1038703856 /nfs/dbraw/zinc/70/38/56/1038703856.db2.gz HGNJQGIEJNEJLG-JKDOVBDQSA-N 1 0 314.332 3.796 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000775550221 1038704042 /nfs/dbraw/zinc/70/40/42/1038704042.db2.gz VYTHDEJSCZTCRU-GXSJLCMTSA-N 1 0 303.189 3.748 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(Cc2ccsc2)C1 ZINC000598679106 1038820108 /nfs/dbraw/zinc/82/01/08/1038820108.db2.gz XIUZQBXXWKLWKE-HWKANZROSA-N 1 0 314.410 3.844 20 5 DHBDRO CCC(F)(F)C(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000598962702 1038955300 /nfs/dbraw/zinc/95/53/00/1038955300.db2.gz HMUSMZVAVNHHAG-UHFFFAOYSA-N 1 0 300.349 3.798 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000598993781 1038985528 /nfs/dbraw/zinc/98/55/28/1038985528.db2.gz OMACJWQCQYYFNA-SFHVURJKSA-N 1 0 311.385 3.929 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599064137 1039018203 /nfs/dbraw/zinc/01/82/03/1039018203.db2.gz KHLGSEVHASXTMG-KDOFPFPSSA-N 1 0 317.433 3.652 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2C)cc1[N+](=O)[O-] ZINC000599072800 1039028222 /nfs/dbraw/zinc/02/82/22/1039028222.db2.gz IQWVGKNGLNDGJU-GFCCVEGCSA-N 1 0 315.373 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C1CC1)C1CCCCC1 ZINC000061162653 1039057864 /nfs/dbraw/zinc/05/78/64/1039057864.db2.gz VFTORXWGAWSTKI-UHFFFAOYSA-N 1 0 304.390 3.901 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000593714813 1039091615 /nfs/dbraw/zinc/09/16/15/1039091615.db2.gz BQHWDUZXYHYURT-FZKQIMNGSA-N 1 0 318.417 3.759 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCC[C@@H]3CCOC3)C2)cc1 ZINC000592126849 1039123180 /nfs/dbraw/zinc/12/31/80/1039123180.db2.gz RIOCGXHEODBTLX-NVXWUHKLSA-N 1 0 318.417 3.591 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CC1CCC1)[C@H]1CC[C@H](O)CC1 ZINC000592131038 1039123675 /nfs/dbraw/zinc/12/36/75/1039123675.db2.gz REIZJUXUXAHTAT-QAQDUYKDSA-N 1 0 318.417 3.500 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCC[C@@H]3CCOC3)C2)cc1 ZINC000592126852 1039123799 /nfs/dbraw/zinc/12/37/99/1039123799.db2.gz RIOCGXHEODBTLX-WBVHZDCISA-N 1 0 318.417 3.591 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000592140179 1039135392 /nfs/dbraw/zinc/13/53/92/1039135392.db2.gz NNLOFPASFWHBQZ-ZBFHGGJFSA-N 1 0 311.385 3.849 20 5 DHBDRO Cc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC2CC2)cn1 ZINC000592145510 1039137183 /nfs/dbraw/zinc/13/71/83/1039137183.db2.gz UANZSFZMRUFSGZ-UHFFFAOYSA-N 1 0 311.385 3.710 20 5 DHBDRO CCC[C@@H](C)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599387089 1039148070 /nfs/dbraw/zinc/14/80/70/1039148070.db2.gz HMABMGPSUBKYGS-CQSZACIVSA-N 1 0 308.426 3.645 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592395858 1039176064 /nfs/dbraw/zinc/17/60/64/1039176064.db2.gz SVQPGTOESVPSIK-JJXSEGSLSA-N 1 0 324.446 3.545 20 5 DHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000603860460 1039181300 /nfs/dbraw/zinc/18/13/00/1039181300.db2.gz BADZJUSZRNQMMK-KBPBESRZSA-N 1 0 323.412 3.904 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000592380904 1039184099 /nfs/dbraw/zinc/18/40/99/1039184099.db2.gz UKAIXKCOGTXJIL-NHYWBVRUSA-N 1 0 318.398 3.838 20 5 DHBDRO Cc1cc(NCCCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000603860147 1039204507 /nfs/dbraw/zinc/20/45/07/1039204507.db2.gz SDHPUQYJRCEEII-AWEZNQCLSA-N 1 0 305.422 3.827 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000604484435 1039480862 /nfs/dbraw/zinc/48/08/62/1039480862.db2.gz MQYABAIHOVSDJW-GOSISDBHSA-N 1 0 312.369 3.680 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000604532803 1039496183 /nfs/dbraw/zinc/49/61/83/1039496183.db2.gz KXRFOENBUFAGJO-HNNXBMFYSA-N 1 0 319.449 3.540 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000058932558 1039632623 /nfs/dbraw/zinc/63/26/23/1039632623.db2.gz FYDAIYBKVQJBDZ-SFHVURJKSA-N 1 0 312.369 3.811 20 5 DHBDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230143986 1039721867 /nfs/dbraw/zinc/72/18/67/1039721867.db2.gz CXRCDNRNXTYDKA-JQWIXIFHSA-N 1 0 300.811 3.622 20 5 DHBDRO Cc1cnc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000594509738 1039814771 /nfs/dbraw/zinc/81/47/71/1039814771.db2.gz LZBZNNALMKMACF-HNNXBMFYSA-N 1 0 313.401 3.808 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000594513595 1039816852 /nfs/dbraw/zinc/81/68/52/1039816852.db2.gz LWKKAXVAPZAACM-DOMZBBRYSA-N 1 0 322.405 3.613 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000594515557 1039820327 /nfs/dbraw/zinc/82/03/27/1039820327.db2.gz UKXQQVLLIUZFDQ-DGCLKSJQSA-N 1 0 322.405 3.532 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H](C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000594516284 1039822864 /nfs/dbraw/zinc/82/28/64/1039822864.db2.gz CDTBZKAQBGFJQW-AWEZNQCLSA-N 1 0 313.401 3.834 20 5 DHBDRO COc1c(C)cccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000594518053 1039823441 /nfs/dbraw/zinc/82/34/41/1039823441.db2.gz BNEWXVBECLEMNP-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c(Cl)c1 ZINC000594523134 1039829005 /nfs/dbraw/zinc/82/90/05/1039829005.db2.gz OAEUGVMVGZAHNE-AWEZNQCLSA-N 1 0 324.808 3.830 20 5 DHBDRO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594738856 1039902402 /nfs/dbraw/zinc/90/24/02/1039902402.db2.gz IDDBPBJLHZOADR-MRXNPFEDSA-N 1 0 317.776 3.608 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC(C)(C)C ZINC000594978060 1039952168 /nfs/dbraw/zinc/95/21/68/1039952168.db2.gz WQIFJLWRUROWOI-SDNWHVSQSA-N 1 0 306.406 3.793 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)c1ccccn1 ZINC000594952307 1039963969 /nfs/dbraw/zinc/96/39/69/1039963969.db2.gz BJHDNTQYFRXRRG-LTBFUDJGSA-N 1 0 311.385 3.786 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1(CSC)CC1 ZINC000594964082 1039967950 /nfs/dbraw/zinc/96/79/50/1039967950.db2.gz VMGDRRSBMUUGKY-UHFFFAOYSA-N 1 0 324.446 3.616 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000595013103 1039973580 /nfs/dbraw/zinc/97/35/80/1039973580.db2.gz QPPBBSXSDHBCOC-JSGCOSHPSA-N 1 0 312.369 3.594 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cc1ccsc1 ZINC000595018078 1039980876 /nfs/dbraw/zinc/98/08/76/1039980876.db2.gz PRSOFWOPOWZOBH-VXGBXAGGSA-N 1 0 320.414 3.947 20 5 DHBDRO COCc1csc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000594985749 1040000008 /nfs/dbraw/zinc/00/00/08/1040000008.db2.gz OUTSIYHZFWUOIN-GQCTYLIASA-N 1 0 318.398 3.606 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000594984494 1040000686 /nfs/dbraw/zinc/00/06/86/1040000686.db2.gz IQGQZIFRKRRDCE-GBLSNTLBSA-N 1 0 304.390 3.545 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000594996633 1040010494 /nfs/dbraw/zinc/01/04/94/1040010494.db2.gz UOIABTVXLMKLAF-QGVAGMINSA-N 1 0 324.355 3.675 20 5 DHBDRO CC1(C)C[C@]1(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594996438 1040011218 /nfs/dbraw/zinc/01/12/18/1040011218.db2.gz NIQSLXVFAKRYJB-INIZCTEOSA-N 1 0 317.414 3.997 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CC)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595056913 1040023100 /nfs/dbraw/zinc/02/31/00/1040023100.db2.gz SOERNYVMZFOIKQ-DOTOQJQBSA-N 1 0 306.406 3.841 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000595056914 1040023351 /nfs/dbraw/zinc/02/33/51/1040023351.db2.gz SOERNYVMZFOIKQ-NVXWUHKLSA-N 1 0 306.406 3.841 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000595032581 1040039338 /nfs/dbraw/zinc/03/93/38/1040039338.db2.gz NLYHTVKKTNTOOM-AAEUAGOBSA-N 1 0 310.419 3.540 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000595031490 1040039856 /nfs/dbraw/zinc/03/98/56/1040039856.db2.gz HNDHXQGQIWHGST-QWRGUYRKSA-N 1 0 321.402 3.514 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000595048802 1040050643 /nfs/dbraw/zinc/05/06/43/1040050643.db2.gz JTVDTDZSNYBIKF-VIFPVBQESA-N 1 0 318.295 3.597 20 5 DHBDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595102477 1040066309 /nfs/dbraw/zinc/06/63/09/1040066309.db2.gz INKCWYHGIWPJKC-JEBQAFNWSA-N 1 0 314.385 3.758 20 5 DHBDRO COCc1csc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000595077055 1040069344 /nfs/dbraw/zinc/06/93/44/1040069344.db2.gz LDEHIRFANXGIHM-GFCCVEGCSA-N 1 0 320.414 3.962 20 5 DHBDRO CC1(C)[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1(F)F ZINC000595091385 1040078769 /nfs/dbraw/zinc/07/87/69/1040078769.db2.gz HZYWDWQZLXGQHQ-UONOGXRCSA-N 1 0 310.344 3.853 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595329911 1040099234 /nfs/dbraw/zinc/09/92/34/1040099234.db2.gz DOVPNIQCTLYIRM-UONOGXRCSA-N 1 0 312.410 3.840 20 5 DHBDRO Cc1noc(C[N@@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595539398 1040168796 /nfs/dbraw/zinc/16/87/96/1040168796.db2.gz LZIPYNLLYARWIT-CABCVRRESA-N 1 0 315.373 3.659 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000063282681 1040171072 /nfs/dbraw/zinc/17/10/72/1040171072.db2.gz YOWQFHOEJWZSFU-UHFFFAOYSA-N 1 0 321.396 3.800 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ccco3)CC2)cc1 ZINC000595618147 1040192148 /nfs/dbraw/zinc/19/21/48/1040192148.db2.gz MXSOWLLEEXFSAL-UHFFFAOYSA-N 1 0 300.358 3.610 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595787653 1040256344 /nfs/dbraw/zinc/25/63/44/1040256344.db2.gz FQSRPGYBVJXGIT-DYVFJYSZSA-N 1 0 322.380 3.515 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595790438 1040258588 /nfs/dbraw/zinc/25/85/88/1040258588.db2.gz QJAVGOUCLIMJCQ-FUHWJXTLSA-N 1 0 318.417 3.684 20 5 DHBDRO Cc1cc(N[C@@H]2CN(C)Cc3ccccc32)c([N+](=O)[O-])s1 ZINC000596174469 1040336806 /nfs/dbraw/zinc/33/68/06/1040336806.db2.gz BDROJHGGOJCJJF-CQSZACIVSA-N 1 0 303.387 3.563 20 5 DHBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])s2)[NH+]2CCCC2)o1 ZINC000608779063 1040611500 /nfs/dbraw/zinc/61/15/00/1040611500.db2.gz CHDCQOFWGGPCBF-LBPRGKRZSA-N 1 0 321.402 3.807 20 5 DHBDRO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000064029451 1040641953 /nfs/dbraw/zinc/64/19/53/1040641953.db2.gz NURJKNGSZBIWPJ-UHFFFAOYSA-N 1 0 317.414 3.864 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2cccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000608982497 1040658482 /nfs/dbraw/zinc/65/84/82/1040658482.db2.gz OHSQPDOYNPXEMF-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO C[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000602019001 1040864613 /nfs/dbraw/zinc/86/46/13/1040864613.db2.gz DEOQCNZRFCFHRO-HIFRSBDPSA-N 1 0 311.385 3.845 20 5 DHBDRO CC[C@H](C)[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602438585 1041032076 /nfs/dbraw/zinc/03/20/76/1041032076.db2.gz FXAAJCJGGRIJPH-ZETCQYMHSA-N 1 0 307.213 3.649 20 5 DHBDRO COc1cccc(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000602633955 1041136859 /nfs/dbraw/zinc/13/68/59/1041136859.db2.gz MWVFLSSOAMNHRY-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO Cc1cc[nH+]c(NCc2nc3cc([N+](=O)[O-])ccc3o2)c1C1CC1 ZINC000602710766 1041172353 /nfs/dbraw/zinc/17/23/53/1041172353.db2.gz YVJJXWKRIZTWBR-UHFFFAOYSA-N 1 0 324.340 3.929 20 5 DHBDRO O=[N+]([O-])c1sc(C[NH2+]CC2=CCCC2)cc1Br ZINC000602717926 1041176349 /nfs/dbraw/zinc/17/63/49/1041176349.db2.gz KTULACGACAWDIK-UHFFFAOYSA-N 1 0 317.208 3.619 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@@H]3CC=CCC3)nc2c1 ZINC000602724654 1041178258 /nfs/dbraw/zinc/17/82/58/1041178258.db2.gz JMCUOXZNMNXFBK-GFCCVEGCSA-N 1 0 301.346 3.572 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857964 1041264785 /nfs/dbraw/zinc/26/47/85/1041264785.db2.gz ZNAXGOMQBLNQQG-PBHICJAKSA-N 1 0 311.385 3.930 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761279215 1041273439 /nfs/dbraw/zinc/27/34/39/1041273439.db2.gz IHDVEMAVWGVTLA-LBPRGKRZSA-N 1 0 304.394 3.577 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ccc(F)cn3)CC2)c1 ZINC000602904853 1041304013 /nfs/dbraw/zinc/30/40/13/1041304013.db2.gz PPMDZOLRBPTYNS-UHFFFAOYSA-N 1 0 315.348 3.509 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104661651 194023230 /nfs/dbraw/zinc/02/32/30/194023230.db2.gz JVMLLIDPRWKMDF-CYBMUJFWSA-N 1 0 315.373 3.667 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000273171515 130094135 /nfs/dbraw/zinc/09/41/35/130094135.db2.gz CDLYJLORZRKNRB-OWCLPIDISA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000273171509 130094812 /nfs/dbraw/zinc/09/48/12/130094812.db2.gz CDLYJLORZRKNRB-OAGGEKHMSA-N 1 0 320.433 3.711 20 5 DHBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000274344244 130227466 /nfs/dbraw/zinc/22/74/66/130227466.db2.gz VBPVDPLRVUTHKH-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO C[C@@H](O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000278678051 130711627 /nfs/dbraw/zinc/71/16/27/130711627.db2.gz OTQPXSYRGWJCIS-GFCCVEGCSA-N 1 0 320.414 3.574 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289484381 131389986 /nfs/dbraw/zinc/38/99/86/131389986.db2.gz IOROJLZPPYOOGI-XOKHGSTOSA-N 1 0 316.401 3.689 20 5 DHBDRO CCC1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000296040625 131936916 /nfs/dbraw/zinc/93/69/16/131936916.db2.gz ANPQOWQTHJWKCH-UHFFFAOYSA-N 1 0 319.405 3.544 20 5 DHBDRO CC[C@H]([NH2+]CCCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000163840588 132125045 /nfs/dbraw/zinc/12/50/45/132125045.db2.gz ORRPIBVTRMCZAS-INIZCTEOSA-N 1 0 314.389 3.533 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000090224765 331822574 /nfs/dbraw/zinc/82/25/74/331822574.db2.gz UFDLWIQWBDWSRV-HNNXBMFYSA-N 1 0 314.341 3.564 20 5 DHBDRO COc1cc(COc2cc(C)[nH+]c(C)c2C)ccc1[N+](=O)[O-] ZINC000580094703 332936383 /nfs/dbraw/zinc/93/63/83/332936383.db2.gz SVMKVWNFOPUBRJ-UHFFFAOYSA-N 1 0 302.330 3.503 20 5 DHBDRO CCO[C@H](CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449181059 331937570 /nfs/dbraw/zinc/93/75/70/331937570.db2.gz DRQKFYBKLXECAL-WMLDXEAASA-N 1 0 308.422 3.567 20 5 DHBDRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000142079872 332150077 /nfs/dbraw/zinc/15/00/77/332150077.db2.gz NSCICNJVHHVXMU-UTUOFQBUSA-N 1 0 318.377 3.730 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000448023576 332189530 /nfs/dbraw/zinc/18/95/30/332189530.db2.gz UEWVSEGDYZRBJK-RHSMWYFYSA-N 1 0 319.449 3.674 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000408201456 332241133 /nfs/dbraw/zinc/24/11/33/332241133.db2.gz FMSRIMIXJGXCSK-KGLIPLIRSA-N 1 0 304.390 3.547 20 5 DHBDRO CCOc1cc(NCCC[NH2+]C2CCCCC2)ccc1[N+](=O)[O-] ZINC000536516576 332255266 /nfs/dbraw/zinc/25/52/66/332255266.db2.gz DXNYTCLEDMLVBL-UHFFFAOYSA-N 1 0 321.421 3.718 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000559753200 332279269 /nfs/dbraw/zinc/27/92/69/332279269.db2.gz XQNKWOAFBHSSDV-MRXNPFEDSA-N 1 0 304.390 3.806 20 5 DHBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000559842192 332284524 /nfs/dbraw/zinc/28/45/24/332284524.db2.gz RHJZSIRKVDSYNU-OCCSQVGLSA-N 1 0 316.405 3.920 20 5 DHBDRO COCC1(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000559879009 332289105 /nfs/dbraw/zinc/28/91/05/332289105.db2.gz SOSULAYIMVSWRS-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCO)C1CCCCC1 ZINC000560319936 332330382 /nfs/dbraw/zinc/33/03/82/332330382.db2.gz JFPMFIJMWMDNMT-RDTXWAMCSA-N 1 0 320.433 3.885 20 5 DHBDRO Cc1c(C[NH2+]Cc2cnc(C3CC3)s2)cccc1[N+](=O)[O-] ZINC000569640803 332597521 /nfs/dbraw/zinc/59/75/21/332597521.db2.gz HPOVCNLHHURORF-UHFFFAOYSA-N 1 0 303.387 3.527 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000525694970 332618110 /nfs/dbraw/zinc/61/81/10/332618110.db2.gz BIHJATIZFNLXJX-RRFJBIMHSA-N 1 0 304.390 3.662 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCSC3)o2)c1 ZINC000570034681 332704542 /nfs/dbraw/zinc/70/45/42/332704542.db2.gz HIHBNXWLCFWYDC-LBPRGKRZSA-N 1 0 318.398 3.698 20 5 DHBDRO Cc1cc(NCC(C)(C)C[C@@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302212706 332984200 /nfs/dbraw/zinc/98/42/00/332984200.db2.gz YZXXMRXXDOPVRO-GFCCVEGCSA-N 1 0 317.389 3.660 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000178110025 333001816 /nfs/dbraw/zinc/00/18/16/333001816.db2.gz UIWSLHYKBLEYKR-CJNGLKHVSA-N 1 0 312.369 3.558 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCCC2 ZINC000323353899 333019848 /nfs/dbraw/zinc/01/98/48/333019848.db2.gz JKIRIOIMSGKBJL-IAGOWNOFSA-N 1 0 318.417 3.731 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000314227087 333095296 /nfs/dbraw/zinc/09/52/96/333095296.db2.gz UQDYAWSIKZXXHT-SJORKVTESA-N 1 0 305.422 3.510 20 5 DHBDRO CC[C@@H](NCC[NH+](C(C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314391072 333107733 /nfs/dbraw/zinc/10/77/33/333107733.db2.gz SGDFUBMLSKTCCQ-QGZVFWFLSA-N 1 0 307.438 3.754 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654293 333141982 /nfs/dbraw/zinc/14/19/82/333141982.db2.gz VLWHWTTYTZRIDX-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO CC(C)[N@H+](C)CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000318989324 333238906 /nfs/dbraw/zinc/23/89/06/333238906.db2.gz LUTDPYMQGLMBAJ-UHFFFAOYSA-N 1 0 319.327 3.756 20 5 DHBDRO CCOC1(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000319293040 333281162 /nfs/dbraw/zinc/28/11/62/333281162.db2.gz VFMIHKJMXBXTOC-MRXNPFEDSA-N 1 0 306.406 3.985 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000019992278 333294870 /nfs/dbraw/zinc/29/48/70/333294870.db2.gz SKBKMCICTBIDRI-GFCCVEGCSA-N 1 0 311.813 3.925 20 5 DHBDRO COc1ccc(C[N@@H+]2CCCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000498904495 333312463 /nfs/dbraw/zinc/31/24/63/333312463.db2.gz ITQPPJIZZLJTBR-UHFFFAOYSA-N 1 0 312.369 3.552 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)c(F)c1 ZINC000390849810 333399371 /nfs/dbraw/zinc/39/93/71/333399371.db2.gz HXJPMLDBWOHOFB-NSHDSACASA-N 1 0 302.296 3.649 20 5 DHBDRO COc1ccccc1C1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000320157394 333431771 /nfs/dbraw/zinc/43/17/71/333431771.db2.gz AHWNOMIFBQIAIK-UHFFFAOYSA-N 1 0 312.369 3.639 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC2(CC2)CC1 ZINC000434772002 333715697 /nfs/dbraw/zinc/71/56/97/333715697.db2.gz BSYFSLNFCXGOIC-UHFFFAOYSA-N 1 0 304.390 3.806 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000411963925 333717220 /nfs/dbraw/zinc/71/72/20/333717220.db2.gz CRLUZZRGHVPHDF-BONVTDFDSA-N 1 0 312.797 3.541 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccccc1C ZINC000430218534 333997486 /nfs/dbraw/zinc/99/74/86/333997486.db2.gz MIPBKRMKTPNWGN-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CC(C)[N@@H+](Cc1cccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269694026 334003385 /nfs/dbraw/zinc/00/33/85/334003385.db2.gz VYTVYOXMFSVBAK-INIZCTEOSA-N 1 0 320.414 3.600 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@H]2C[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414514500 334003607 /nfs/dbraw/zinc/00/36/07/334003607.db2.gz LYWNDZYKDYZHJM-VNHYZAJKSA-N 1 0 306.406 3.621 20 5 DHBDRO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)CC(F)(F)F ZINC000414517485 334004908 /nfs/dbraw/zinc/00/49/08/334004908.db2.gz RMZKACXJSPHWTM-NSHDSACASA-N 1 0 304.312 3.971 20 5 DHBDRO C[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414529022 334008120 /nfs/dbraw/zinc/00/81/20/334008120.db2.gz PCBOGSVXOABZCA-QZPNVGJNSA-N 1 0 302.296 3.786 20 5 DHBDRO C/C(=C\c1nc([C@@H]([NH3+])CC(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000414624468 334045651 /nfs/dbraw/zinc/04/56/51/334045651.db2.gz VNRILOMPIUBMRQ-MARXPDLDSA-N 1 0 316.361 3.584 20 5 DHBDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000323740602 334272503 /nfs/dbraw/zinc/27/25/03/334272503.db2.gz RAZSQPUBUFIYND-UHFFFAOYSA-N 1 0 309.369 3.685 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cccc2c1CCCN2 ZINC000415041385 334260986 /nfs/dbraw/zinc/26/09/86/334260986.db2.gz TWYFGHDLYSQKTQ-XBXARRHUSA-N 1 0 323.396 3.756 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000531938900 334299717 /nfs/dbraw/zinc/29/97/17/334299717.db2.gz UBEHYOQFYAITNE-ZBFHGGJFSA-N 1 0 319.449 3.676 20 5 DHBDRO Cc1nc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000531942531 334302218 /nfs/dbraw/zinc/30/22/18/334302218.db2.gz ZBYVSODYYMIZCJ-NSHDSACASA-N 1 0 305.403 3.561 20 5 DHBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000341215866 334418390 /nfs/dbraw/zinc/41/83/90/334418390.db2.gz VNYYYKOOVBGCKF-QGZVFWFLSA-N 1 0 300.358 3.715 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)CCCC2 ZINC000417313619 334705276 /nfs/dbraw/zinc/70/52/76/334705276.db2.gz POQLDHWVGOAXKR-FDQGKXFDSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]1CCO)CCCC2 ZINC000417342816 334705776 /nfs/dbraw/zinc/70/57/76/334705776.db2.gz NHMNTHAXWSERNL-JCGIZDLHSA-N 1 0 318.417 3.503 20 5 DHBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417331159 334709374 /nfs/dbraw/zinc/70/93/74/334709374.db2.gz LXIYVYHEAXABHF-DDUZABMNSA-N 1 0 318.417 3.625 20 5 DHBDRO COCC[C@H](C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417379464 334769225 /nfs/dbraw/zinc/76/92/25/334769225.db2.gz UORQAPOABZVRMN-SUMWQHHRSA-N 1 0 306.406 3.625 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000189680520 334905872 /nfs/dbraw/zinc/90/58/72/334905872.db2.gz SJEUJPCDSVQTMH-ZDUSSCGKSA-N 1 0 320.418 3.546 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000343984204 335205477 /nfs/dbraw/zinc/20/54/77/335205477.db2.gz ULRHTUGPKKHANN-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000344339231 335242419 /nfs/dbraw/zinc/24/24/19/335242419.db2.gz WGTZJKLPPSBTQU-UHOFOFEASA-N 1 0 304.390 3.593 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]CC3(C)CC3)o2)c([N+](=O)[O-])c1 ZINC000344690711 335266987 /nfs/dbraw/zinc/26/69/87/335266987.db2.gz GEYZADZYYNKECH-UHFFFAOYSA-N 1 0 316.357 3.753 20 5 DHBDRO CC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000344711866 335274775 /nfs/dbraw/zinc/27/47/75/335274775.db2.gz OKDOTPDVZJRZJI-UHFFFAOYSA-N 1 0 303.387 3.608 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCSC2)o1 ZINC000344713249 335275039 /nfs/dbraw/zinc/27/50/39/335275039.db2.gz CBYWDPVEUSYLBK-GFCCVEGCSA-N 1 0 318.398 3.840 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)c1nccs1 ZINC000344812130 335280684 /nfs/dbraw/zinc/28/06/84/335280684.db2.gz NBOHPSWLOWOJDV-FSBNRTBOSA-N 1 0 317.414 3.848 20 5 DHBDRO CO[C@H](CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000345483022 335328919 /nfs/dbraw/zinc/32/89/19/335328919.db2.gz KQFUHMYTOAZFEE-ZWNOBZJWSA-N 1 0 320.311 3.521 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000348638198 335600820 /nfs/dbraw/zinc/60/08/20/335600820.db2.gz DZVCXPWDRGHDIC-MLGOLLRUSA-N 1 0 315.373 3.800 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000532188654 335912762 /nfs/dbraw/zinc/91/27/62/335912762.db2.gz WMEMIAQBPIYHFA-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000158913051 338511908 /nfs/dbraw/zinc/51/19/08/338511908.db2.gz GVOSSDYANPBYPT-HNNXBMFYSA-N 1 0 302.761 3.505 20 5 DHBDRO COc1cc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)ccc1[N+](=O)[O-] ZINC000445881361 338514214 /nfs/dbraw/zinc/51/42/14/338514214.db2.gz SLRLARWJNIIBAU-NSHDSACASA-N 1 0 320.311 3.670 20 5 DHBDRO Cc1c(C[NH2+][C@@H](CC(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000445889541 338514537 /nfs/dbraw/zinc/51/45/37/338514537.db2.gz GSTVXSXCYVLTNI-LBPRGKRZSA-N 1 0 304.312 3.970 20 5 DHBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000331545424 336139781 /nfs/dbraw/zinc/13/97/81/336139781.db2.gz HLCLWDALEHLQII-KMUNFCNLSA-N 1 0 306.431 3.658 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000332025706 336156241 /nfs/dbraw/zinc/15/62/41/336156241.db2.gz RTLNFPZILYPAKO-XHDPSFHLSA-N 1 0 306.431 3.802 20 5 DHBDRO CC1(C)CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332149833 336160553 /nfs/dbraw/zinc/16/05/53/336160553.db2.gz IMCCWCXHPHCRMN-CQSZACIVSA-N 1 0 302.378 3.530 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000352546541 336223840 /nfs/dbraw/zinc/22/38/40/336223840.db2.gz WRBFQRBAVPKMGZ-QAPCUYQASA-N 1 0 318.417 3.857 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000532575216 336256966 /nfs/dbraw/zinc/25/69/66/336256966.db2.gz NGIFWAFTOYBCTD-QWHCGFSZSA-N 1 0 315.373 3.523 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc(SC)s2)cc1[N+](=O)[O-] ZINC000352833492 336270812 /nfs/dbraw/zinc/27/08/12/336270812.db2.gz IBJSAXDIKKCKNE-UHFFFAOYSA-N 1 0 324.427 3.677 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000527033036 336280071 /nfs/dbraw/zinc/28/00/71/336280071.db2.gz HNUQGBZKURQHBZ-UHFFFAOYSA-N 1 0 306.312 3.865 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000527074580 336282742 /nfs/dbraw/zinc/28/27/42/336282742.db2.gz URENYNJASSFZKD-MRXNPFEDSA-N 1 0 317.776 3.884 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192958644 336286005 /nfs/dbraw/zinc/28/60/05/336286005.db2.gz IIHMUQXWDINZJC-MRXNPFEDSA-N 1 0 311.385 3.529 20 5 DHBDRO CC(C)(C)[NH+]1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301072553 336288407 /nfs/dbraw/zinc/28/84/07/336288407.db2.gz HLYFXXQLZINIDH-UHFFFAOYSA-N 1 0 311.813 3.923 20 5 DHBDRO Cc1ccnc(NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000301483863 336309724 /nfs/dbraw/zinc/30/97/24/336309724.db2.gz UUDLKSCVXDLCKK-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000301934702 336338868 /nfs/dbraw/zinc/33/88/68/336338868.db2.gz OLSLIXHJJYOQLP-UHFFFAOYSA-N 1 0 317.414 3.733 20 5 DHBDRO Cc1ccc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000302035172 336344625 /nfs/dbraw/zinc/34/46/25/336344625.db2.gz FFXSQYVNENUEST-LSDHHAIUSA-N 1 0 317.433 3.968 20 5 DHBDRO Cc1cccc(NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000302518381 336360722 /nfs/dbraw/zinc/36/07/22/336360722.db2.gz WJRBZDAWFJSECD-CYBMUJFWSA-N 1 0 305.403 3.680 20 5 DHBDRO CCOc1cc(NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000320903528 336384267 /nfs/dbraw/zinc/38/42/67/336384267.db2.gz VOOSONXXBAVETA-AWEZNQCLSA-N 1 0 321.421 3.527 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CO)c1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000358376787 336627190 /nfs/dbraw/zinc/62/71/90/336627190.db2.gz HYRIIYYXPBAMQP-CABCVRRESA-N 1 0 320.414 3.739 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000361345734 336752480 /nfs/dbraw/zinc/75/24/80/336752480.db2.gz JWXBSPHYPXXPNY-IRXDYDNUSA-N 1 0 305.422 3.510 20 5 DHBDRO CC[C@@H]([NH2+][C@H](CC)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000361733871 336770429 /nfs/dbraw/zinc/77/04/29/336770429.db2.gz DHHLXYQTXIKCHI-IAGOWNOFSA-N 1 0 306.406 3.841 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361763980 336772007 /nfs/dbraw/zinc/77/20/07/336772007.db2.gz KBUFCZBUHXRHBA-NXOAAHMSSA-N 1 0 318.417 3.839 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C2CC(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000368030339 336835882 /nfs/dbraw/zinc/83/58/82/336835882.db2.gz NCTAHCZAXLFOLX-IUDNXUCKSA-N 1 0 311.385 3.895 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000389603074 336874782 /nfs/dbraw/zinc/87/47/82/336874782.db2.gz MJFHMEJQRIQGFI-MRXNPFEDSA-N 1 0 304.390 3.566 20 5 DHBDRO C[C@H](CCOCc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000389958343 336927721 /nfs/dbraw/zinc/92/77/21/336927721.db2.gz FZVKHECCHRGCQP-OAHLLOKOSA-N 1 0 314.385 3.680 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000372896338 336942247 /nfs/dbraw/zinc/94/22/47/336942247.db2.gz BRFHLDINTRMBMV-OAHLLOKOSA-N 1 0 316.332 3.656 20 5 DHBDRO CC[C@@H](NC1CC([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000373521116 336963566 /nfs/dbraw/zinc/96/35/66/336963566.db2.gz KBVWYHGBNXALBV-VMWRSERWSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000375345887 337008720 /nfs/dbraw/zinc/00/87/20/337008720.db2.gz VVANQNYSMLLZNJ-MEDUHNTESA-N 1 0 316.332 3.908 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000180259641 337175536 /nfs/dbraw/zinc/17/55/36/337175536.db2.gz PMBFRDIAGUKFAJ-ZFWWWQNUSA-N 1 0 322.405 3.603 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000582877417 337209755 /nfs/dbraw/zinc/20/97/55/337209755.db2.gz OBLWUTPFODPYFW-YQCJOKCJSA-N 1 0 310.344 3.975 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000188878508 337275970 /nfs/dbraw/zinc/27/59/70/337275970.db2.gz VUFXCLDSYYPNOB-MRXNPFEDSA-N 1 0 312.369 3.825 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000421349403 337527934 /nfs/dbraw/zinc/52/79/34/337527934.db2.gz JBBOWKYSYLHPMS-CQSZACIVSA-N 1 0 306.431 3.526 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1[N+](=O)[O-] ZINC000247150112 337558065 /nfs/dbraw/zinc/55/80/65/337558065.db2.gz RLNQTLQZFOFZMX-CRNXPOROSA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000252801578 337593006 /nfs/dbraw/zinc/59/30/06/337593006.db2.gz COTVZUOYTMSRSV-KKBVYLPWSA-N 1 0 316.401 3.593 20 5 DHBDRO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000421855163 337650340 /nfs/dbraw/zinc/65/03/40/337650340.db2.gz LQITZIUQMLEABY-LXZKKBNFSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H](NCC[NH2+]C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423264585 337708170 /nfs/dbraw/zinc/70/81/70/337708170.db2.gz AGFMAORVZUKDQL-CQSZACIVSA-N 1 0 305.422 3.558 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000423362785 337714551 /nfs/dbraw/zinc/71/45/51/337714551.db2.gz YEVLDOSUHFRWPW-XIKOKIGWSA-N 1 0 311.385 3.905 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1NCc1ccc(CC[NH+](C)C)cc1 ZINC000527209794 337737789 /nfs/dbraw/zinc/73/77/89/337737789.db2.gz BVEPBZGDXRPEDO-UHFFFAOYSA-N 1 0 313.401 3.619 20 5 DHBDRO COc1ccc(-c2ccc(C[NH+]3[C@H](C)C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000527238456 337740042 /nfs/dbraw/zinc/74/00/42/337740042.db2.gz DIWQGKXSTJJHHJ-VXGBXAGGSA-N 1 0 316.357 3.846 20 5 DHBDRO CCC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000428552371 338055944 /nfs/dbraw/zinc/05/59/44/338055944.db2.gz MFWQOVOVCCZFGF-UHFFFAOYSA-N 1 0 302.321 3.722 20 5 DHBDRO COC1(C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000429434588 338080901 /nfs/dbraw/zinc/08/09/01/338080901.db2.gz XQHZOTOZPSQJQQ-LLVKDONJSA-N 1 0 312.797 3.686 20 5 DHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000429673485 338086975 /nfs/dbraw/zinc/08/69/75/338086975.db2.gz RVWATJMGPYMXSD-HOTGVXAUSA-N 1 0 308.447 3.791 20 5 DHBDRO C[NH+](C)[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000432311844 338152732 /nfs/dbraw/zinc/15/27/32/338152732.db2.gz HKOACSCOLDLFAP-GFCCVEGCSA-N 1 0 309.753 3.556 20 5 DHBDRO CC(C)C[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])[NH+](C)C ZINC000432333611 338153303 /nfs/dbraw/zinc/15/33/03/338153303.db2.gz CKZQDVRRFVJUPH-ZDUSSCGKSA-N 1 0 316.405 3.531 20 5 DHBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccc([N+](=O)[O-])cc3)cccc21 ZINC000432922569 338173343 /nfs/dbraw/zinc/17/33/43/338173343.db2.gz OFUIQFXUPVVUPI-INIZCTEOSA-N 1 0 313.357 3.724 20 5 DHBDRO CC1(C)CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433073619 338180209 /nfs/dbraw/zinc/18/02/09/338180209.db2.gz GEMOYLKVBPEDOD-XJKSGUPXSA-N 1 0 318.417 3.864 20 5 DHBDRO CSC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433077780 338180600 /nfs/dbraw/zinc/18/06/00/338180600.db2.gz PLNYZJLVLMVMQM-CQSZACIVSA-N 1 0 306.431 3.802 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCOC2CCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153746 338183171 /nfs/dbraw/zinc/18/31/71/338183171.db2.gz QRHVHMGXZATVEF-KRWDZBQOSA-N 1 0 318.417 3.866 20 5 DHBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433156934 338183389 /nfs/dbraw/zinc/18/33/89/338183389.db2.gz DFGLYVLDUVUXRD-IFIJOSMWSA-N 1 0 318.417 3.864 20 5 DHBDRO CCCCOCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163958 338183589 /nfs/dbraw/zinc/18/35/89/338183589.db2.gz ZBNCMQBCTXALQK-MRXNPFEDSA-N 1 0 306.406 3.724 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000433304639 338190708 /nfs/dbraw/zinc/19/07/08/338190708.db2.gz NYFJCVLNZGNCNU-YESZJQIVSA-N 1 0 318.417 3.864 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)cc1 ZINC000435736295 338246992 /nfs/dbraw/zinc/24/69/92/338246992.db2.gz VZZKRFYCPFXLHX-KOMQPUFPSA-N 1 0 300.333 3.770 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCc2c(F)ccc(F)c2C1 ZINC000437528934 338312788 /nfs/dbraw/zinc/31/27/88/338312788.db2.gz YXBWHIKHAFSFLE-LLVKDONJSA-N 1 0 318.323 3.992 20 5 DHBDRO Cc1c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000437531573 338312840 /nfs/dbraw/zinc/31/28/40/338312840.db2.gz AORXFTOLMLNDDK-HOTGVXAUSA-N 1 0 306.431 3.763 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCCOc2ccccc2)cc1 ZINC000437783155 338321213 /nfs/dbraw/zinc/32/12/13/338321213.db2.gz HJCODUSAIHNVCF-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO CC(C)c1ccc(CN2CCc3ncsc3C2)cc1[N+](=O)[O-] ZINC000438362929 338341329 /nfs/dbraw/zinc/34/13/29/338341329.db2.gz ZBHZRCORMLYJEB-UHFFFAOYSA-N 1 0 317.414 3.733 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)nc2c1 ZINC000446849979 338538494 /nfs/dbraw/zinc/53/84/94/338538494.db2.gz SYFMUHLAGOPOJH-UONOGXRCSA-N 1 0 314.389 3.530 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000447559859 338556686 /nfs/dbraw/zinc/55/66/86/338556686.db2.gz BIKFYUFYSBWSNI-CVEARBPZSA-N 1 0 306.406 3.623 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000447596000 338560934 /nfs/dbraw/zinc/56/09/34/338560934.db2.gz BFLRXYTULWFHBZ-YOEHRIQHSA-N 1 0 317.433 3.571 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000447598658 338561229 /nfs/dbraw/zinc/56/12/29/338561229.db2.gz IMCUFWSIOWHGAY-JKSUJKDBSA-N 1 0 318.417 3.908 20 5 DHBDRO CCC(O)(CC)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447602015 338561495 /nfs/dbraw/zinc/56/14/95/338561495.db2.gz SBKVITUVGRVUTD-MRXNPFEDSA-N 1 0 306.406 3.503 20 5 DHBDRO COc1cc(C)cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449209065 338602608 /nfs/dbraw/zinc/60/26/08/338602608.db2.gz RRQWZSCPYCMELN-AWEZNQCLSA-N 1 0 314.385 3.633 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000449223353 338603906 /nfs/dbraw/zinc/60/39/06/338603906.db2.gz YBIARSNBBZSQLP-UHFFFAOYSA-N 1 0 318.417 3.955 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000449350373 338616395 /nfs/dbraw/zinc/61/63/95/338616395.db2.gz VLFLFFZGRSRJMT-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000449350588 338616577 /nfs/dbraw/zinc/61/65/77/338616577.db2.gz MKAGMCJSMHNXMW-INIZCTEOSA-N 1 0 300.333 3.901 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449476050 338628705 /nfs/dbraw/zinc/62/87/05/338628705.db2.gz MFRCSPSUSLGLCN-VFQAQYNWSA-N 1 0 316.401 3.547 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC1(F)F ZINC000449491263 338630571 /nfs/dbraw/zinc/63/05/71/338630571.db2.gz GAMVYADFYVUXBU-OCCSQVGLSA-N 1 0 312.360 3.941 20 5 DHBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449520214 338633988 /nfs/dbraw/zinc/63/39/88/338633988.db2.gz FQVNEOAAUKDJAS-RHSMWYFYSA-N 1 0 316.357 3.512 20 5 DHBDRO CCCc1ncc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)o1 ZINC000449610434 338640666 /nfs/dbraw/zinc/64/06/66/338640666.db2.gz GNSQLMDTKOZUAT-JYRVWZFOSA-N 1 0 315.373 3.728 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc(C)cc1C ZINC000449735126 338649130 /nfs/dbraw/zinc/64/91/30/338649130.db2.gz PLBQYMGYCWRYBC-QPEQYQDCSA-N 1 0 311.385 3.800 20 5 DHBDRO C[C@H](CCCc1cccnc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000453188150 338804856 /nfs/dbraw/zinc/80/48/56/338804856.db2.gz ZAFQRYZGYOYRMG-OAHLLOKOSA-N 1 0 313.401 3.533 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1(C)C ZINC000453281569 338818149 /nfs/dbraw/zinc/81/81/49/338818149.db2.gz HHZPHLNCYNPIAF-IUODEOHRSA-N 1 0 324.446 3.623 20 5 DHBDRO CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000453321406 338824549 /nfs/dbraw/zinc/82/45/49/338824549.db2.gz QUAXBXWRWDGIHK-JJRVBVJISA-N 1 0 306.406 3.697 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000453336514 338826962 /nfs/dbraw/zinc/82/69/62/338826962.db2.gz ACCCDLSBCIFXPU-USXIJHARSA-N 1 0 306.406 3.577 20 5 DHBDRO CC(C)(O)C(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453347937 338828962 /nfs/dbraw/zinc/82/89/62/338828962.db2.gz GQIUMRJCLFKPCN-HNNXBMFYSA-N 1 0 320.433 3.704 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000453395136 338837365 /nfs/dbraw/zinc/83/73/65/338837365.db2.gz XCYFDLPGSFKFPT-CYBMUJFWSA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC1CC(F)(F)C1)C1CC1 ZINC000453411616 338840112 /nfs/dbraw/zinc/84/01/12/338840112.db2.gz IOTYBAXLTLFMMT-OAHLLOKOSA-N 1 0 324.371 3.941 20 5 DHBDRO CCC(C)(C)OCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000453622577 338851298 /nfs/dbraw/zinc/85/12/98/338851298.db2.gz YHUQLEXJQIDMEB-KAMYIIQDSA-N 1 0 306.406 3.793 20 5 DHBDRO Cc1cc(N[C@H](C)CC[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461773587 339066839 /nfs/dbraw/zinc/06/68/39/339066839.db2.gz JGJRCYTWNVLJFE-SNVBAGLBSA-N 1 0 319.327 3.674 20 5 DHBDRO CO[C@@](C)(C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000462911502 339097641 /nfs/dbraw/zinc/09/76/41/339097641.db2.gz NQGXPZWNTFKWKW-KRWDZBQOSA-N 1 0 306.406 3.623 20 5 DHBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000463022527 339100786 /nfs/dbraw/zinc/10/07/86/339100786.db2.gz JRCHGEONUWCGNE-DAXOMENPSA-N 1 0 306.406 3.838 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000463470908 339118956 /nfs/dbraw/zinc/11/89/56/339118956.db2.gz UEMSHJCDWYVCBR-SWLSCSKDSA-N 1 0 322.380 3.897 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000466472917 339206521 /nfs/dbraw/zinc/20/65/21/339206521.db2.gz IRAHKCHMAWPKCA-HOTGVXAUSA-N 1 0 324.808 3.543 20 5 DHBDRO Cc1cncc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000467638620 339243833 /nfs/dbraw/zinc/24/38/33/339243833.db2.gz SJERXNODUAHGDN-LBPRGKRZSA-N 1 0 319.792 3.845 20 5 DHBDRO C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000467834145 339247158 /nfs/dbraw/zinc/24/71/58/339247158.db2.gz PGCJUHZDJJUHQC-KSSFIOAISA-N 1 0 319.449 3.756 20 5 DHBDRO C[C@@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467836857 339247225 /nfs/dbraw/zinc/24/72/25/339247225.db2.gz TUCXCLVKMDNFII-BZUAXINKSA-N 1 0 319.449 3.613 20 5 DHBDRO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000467839284 339247420 /nfs/dbraw/zinc/24/74/20/339247420.db2.gz MXOKHFPCAXTRHV-ILXRZTDVSA-N 1 0 305.422 3.508 20 5 DHBDRO COc1cc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000467851280 339247604 /nfs/dbraw/zinc/24/76/04/339247604.db2.gz MDVWPUAGVBOKEA-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000468002530 339250858 /nfs/dbraw/zinc/25/08/58/339250858.db2.gz GSKKCHNPRXSSRN-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000468027506 339251404 /nfs/dbraw/zinc/25/14/04/339251404.db2.gz SPTGRKLPVXPTIQ-ZJUUUORDSA-N 1 0 320.311 3.985 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000468622622 339267292 /nfs/dbraw/zinc/26/72/92/339267292.db2.gz UVMDZBJZBRQRMB-VNNZXZIOSA-N 1 0 316.401 3.545 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccc(F)c1 ZINC000468628503 339267340 /nfs/dbraw/zinc/26/73/40/339267340.db2.gz QNLPPGZINRROJZ-GXDHUFHOSA-N 1 0 314.360 3.970 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000468627844 339267348 /nfs/dbraw/zinc/26/73/48/339267348.db2.gz OTDPMNBHQVPPGZ-RXEWJAMOSA-N 1 0 318.417 3.529 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC1CCCC1 ZINC000468650084 339268025 /nfs/dbraw/zinc/26/80/25/339268025.db2.gz STMCLBCDIWIASS-QINSGFPZSA-N 1 0 318.417 3.937 20 5 DHBDRO COCC[C@@H]1CCCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000468692168 339268676 /nfs/dbraw/zinc/26/86/76/339268676.db2.gz ZZEZSZSFDZWVFN-FSNWXROXSA-N 1 0 318.417 3.747 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470949204 339332436 /nfs/dbraw/zinc/33/24/36/339332436.db2.gz WBPZSNDJOSTFHS-BREBYQMCSA-N 1 0 302.296 3.929 20 5 DHBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCCC1 ZINC000475196278 339440940 /nfs/dbraw/zinc/44/09/40/339440940.db2.gz UMPLUPRIEYBWOG-GFCCVEGCSA-N 1 0 316.405 3.920 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000477867429 339503414 /nfs/dbraw/zinc/50/34/14/339503414.db2.gz TVTVKPYEAFOTJH-RDTXWAMCSA-N 1 0 320.433 3.885 20 5 DHBDRO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000483549091 339668710 /nfs/dbraw/zinc/66/87/10/339668710.db2.gz XKIRVDQZYPCJQJ-CHWSQXEVSA-N 1 0 318.348 3.852 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000483713072 339672366 /nfs/dbraw/zinc/67/23/66/339672366.db2.gz MDPMIBFVTWRSPT-XOKHGSTOSA-N 1 0 318.417 3.902 20 5 DHBDRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000489133092 339802306 /nfs/dbraw/zinc/80/23/06/339802306.db2.gz YOBOTEWJZPNSAC-CYBMUJFWSA-N 1 0 300.358 3.991 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000502590083 340108689 /nfs/dbraw/zinc/10/86/89/340108689.db2.gz BQHODEDGODIUGJ-TZMCWYRMSA-N 1 0 314.332 3.543 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC[C@H]2OC(F)F)cccc1[N+](=O)[O-] ZINC000503909047 340136437 /nfs/dbraw/zinc/13/64/37/340136437.db2.gz IQQFUFJJNAUINT-MPKXVKKWSA-N 1 0 314.332 3.714 20 5 DHBDRO COc1cc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1F ZINC000504900207 340155233 /nfs/dbraw/zinc/15/52/33/340155233.db2.gz TWNTVZWWMIMUSM-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000505612108 340172965 /nfs/dbraw/zinc/17/29/65/340172965.db2.gz OJSWMHTVICHEPR-OAHLLOKOSA-N 1 0 314.360 3.941 20 5 DHBDRO COc1cccc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000505642512 340174041 /nfs/dbraw/zinc/17/40/41/340174041.db2.gz WKDVWSCRYBZVCK-RMKNXTFCSA-N 1 0 312.369 3.749 20 5 DHBDRO CC(C)[NH+](CCN(C)[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000505869326 340180167 /nfs/dbraw/zinc/18/01/67/340180167.db2.gz LMMHEIZCCZJUMO-OAHLLOKOSA-N 1 0 307.438 3.706 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(OC)CCC1 ZINC000507444744 340219843 /nfs/dbraw/zinc/21/98/43/340219843.db2.gz UOWRCLOVXYQTNV-ZDUSSCGKSA-N 1 0 324.446 3.624 20 5 DHBDRO CC[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000402608896 340246432 /nfs/dbraw/zinc/24/64/32/340246432.db2.gz QPKJGIRXXMCVBX-NSHDSACASA-N 1 0 304.312 3.971 20 5 DHBDRO C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000510682894 340306483 /nfs/dbraw/zinc/30/64/83/340306483.db2.gz FMSRPLDJOWITCQ-GFCCVEGCSA-N 1 0 320.339 3.984 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000511000022 340317623 /nfs/dbraw/zinc/31/76/23/340317623.db2.gz PXLXSVKHPWPYNV-HUUCEWRRSA-N 1 0 308.809 3.959 20 5 DHBDRO CCOCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173315439 340362157 /nfs/dbraw/zinc/36/21/57/340362157.db2.gz RETKXWADFSQJNJ-CQSZACIVSA-N 1 0 314.385 3.982 20 5 DHBDRO C[C@@H]([NH2+]CCCCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000173379301 340363822 /nfs/dbraw/zinc/36/38/22/340363822.db2.gz UHPAHGAUJCYBAX-CQSZACIVSA-N 1 0 314.389 3.533 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000173450473 340365221 /nfs/dbraw/zinc/36/52/21/340365221.db2.gz HSSPVAWEROAGMM-QWHCGFSZSA-N 1 0 318.348 3.852 20 5 DHBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000512863804 340381342 /nfs/dbraw/zinc/38/13/42/340381342.db2.gz GTHNELYQBJYMJQ-NHYWBVRUSA-N 1 0 318.398 3.696 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000513859462 340429092 /nfs/dbraw/zinc/42/90/92/340429092.db2.gz MAXGVHWUDKJRTB-MRXNPFEDSA-N 1 0 300.333 3.554 20 5 DHBDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178653839 340451295 /nfs/dbraw/zinc/45/12/95/340451295.db2.gz KMPDDBGXORFTPS-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO CC(C)CO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000315688248 340676455 /nfs/dbraw/zinc/67/64/55/340676455.db2.gz QVHNQQWZCUKGTM-CVEARBPZSA-N 1 0 306.406 3.524 20 5 DHBDRO Cc1cccc(OCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000537971756 340794567 /nfs/dbraw/zinc/79/45/67/340794567.db2.gz GGAZUNYHQZMMNE-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO Cc1c([C@@H](C)NCC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000542486473 341009784 /nfs/dbraw/zinc/00/97/84/341009784.db2.gz JWQQJNUQJDHETE-GOEBONIOSA-N 1 0 319.449 3.818 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000542497855 341010572 /nfs/dbraw/zinc/01/05/72/341010572.db2.gz FHBHFJIRPUQVMJ-SNVBAGLBSA-N 1 0 324.302 3.905 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CSc2ccccc21 ZINC000542707209 341018445 /nfs/dbraw/zinc/01/84/45/341018445.db2.gz VMAOQXGARRYELL-OAHLLOKOSA-N 1 0 300.383 3.840 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000130413199 341021138 /nfs/dbraw/zinc/02/11/38/341021138.db2.gz XUMZHVYSRCUJQW-NUEKZKHPSA-N 1 0 320.458 3.791 20 5 DHBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCSC1 ZINC000130547794 341027274 /nfs/dbraw/zinc/02/72/74/341027274.db2.gz SJSVBBJGHYHRHM-GFCCVEGCSA-N 1 0 318.398 3.792 20 5 DHBDRO CCOc1cc(NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000543196020 341036365 /nfs/dbraw/zinc/03/63/65/341036365.db2.gz DCTMTQCKNWWDFY-CQSZACIVSA-N 1 0 321.421 3.670 20 5 DHBDRO C[C@@H]1CCC[C@@H](CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000543481236 341046676 /nfs/dbraw/zinc/04/66/76/341046676.db2.gz SHHUHDRNERMLNJ-KGLIPLIRSA-N 1 0 303.406 3.564 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000071959363 341055755 /nfs/dbraw/zinc/05/57/55/341055755.db2.gz BHDQIRPKPINTQR-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000544432612 341081848 /nfs/dbraw/zinc/08/18/48/341081848.db2.gz KNORAMUQEWZKRE-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000075612029 341179566 /nfs/dbraw/zinc/17/95/66/341179566.db2.gz FPORMVFKBLRHQJ-AWEZNQCLSA-N 1 0 313.401 3.854 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075831255 341184972 /nfs/dbraw/zinc/18/49/72/341184972.db2.gz XGJJAERVWACGRZ-AWEZNQCLSA-N 1 0 322.380 3.658 20 5 DHBDRO CC(C)(C)C1CCC(O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000236817232 341202172 /nfs/dbraw/zinc/20/21/72/341202172.db2.gz FTESMQIBYQRWMM-UHFFFAOYSA-N 1 0 320.433 3.652 20 5 DHBDRO CCc1cccc2c(CC[NH2+]Cc3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000237007830 341205745 /nfs/dbraw/zinc/20/57/45/341205745.db2.gz UGHNLTRYEJKRBK-UHFFFAOYSA-N 1 0 323.396 3.971 20 5 DHBDRO C[C@@H]1CC(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000548993651 341283180 /nfs/dbraw/zinc/28/31/80/341283180.db2.gz QCQFQKWCFMFWFU-IPKOWEFYSA-N 1 0 318.417 3.791 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000549236717 341289338 /nfs/dbraw/zinc/28/93/38/341289338.db2.gz FLWZCBFKUYCJBO-XGUBFFRZSA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245516666 341298790 /nfs/dbraw/zinc/29/87/90/341298790.db2.gz FZQDLUUTFKHVGV-RLFYNMQTSA-N 1 0 318.417 3.591 20 5 DHBDRO CCC[N@H+](C)C[C@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245520979 341299681 /nfs/dbraw/zinc/29/96/81/341299681.db2.gz KBKXAQKJQUWKOD-HZPDHXFCSA-N 1 0 319.449 3.628 20 5 DHBDRO C[C@H](Cc1ccsc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549810761 341303691 /nfs/dbraw/zinc/30/36/91/341303691.db2.gz WUBXZMNDIZWXJQ-CYBMUJFWSA-N 1 0 304.415 3.762 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000551307534 341337973 /nfs/dbraw/zinc/33/79/73/341337973.db2.gz FDKGZHQFIUXXFA-XZDPQHSOSA-N 1 0 306.381 3.786 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000551307531 341338006 /nfs/dbraw/zinc/33/80/06/341338006.db2.gz FDKGZHQFIUXXFA-MIGQKNRLSA-N 1 0 306.381 3.786 20 5 DHBDRO COc1cc(C[N@@H+]2CCC=C(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000551707391 341349566 /nfs/dbraw/zinc/34/95/66/341349566.db2.gz HAUOVFDCUSYWBK-UHFFFAOYSA-N 1 0 324.380 3.893 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)C1 ZINC000246918809 341358693 /nfs/dbraw/zinc/35/86/93/341358693.db2.gz YJRIKRLDZAWVPY-NEPJUHHUSA-N 1 0 303.362 3.604 20 5 DHBDRO CC[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)OC ZINC000565624860 341533045 /nfs/dbraw/zinc/53/30/45/341533045.db2.gz FFNVJLAKOMFHPB-CQSZACIVSA-N 1 0 320.414 3.838 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(C)(C)C ZINC000154908140 341597758 /nfs/dbraw/zinc/59/77/58/341597758.db2.gz ZSXKYCCFONGWCV-DOTOQJQBSA-N 1 0 320.433 3.567 20 5 DHBDRO CC[C@H]([NH2+]CCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000271476555 341622762 /nfs/dbraw/zinc/62/27/62/341622762.db2.gz JUDVFELJPVVZKR-AWEZNQCLSA-N 1 0 305.403 3.725 20 5 DHBDRO COC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000575116192 341778856 /nfs/dbraw/zinc/77/88/56/341778856.db2.gz XSAATRKIFJSNRV-CVEARBPZSA-N 1 0 306.406 3.578 20 5 DHBDRO C[C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000575832361 341807470 /nfs/dbraw/zinc/80/74/70/341807470.db2.gz ZGPPVHLQYBADLX-GXTWGEPZSA-N 1 0 301.390 3.787 20 5 DHBDRO CC(C)[NH+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000183057071 519651316 /nfs/dbraw/zinc/65/13/16/519651316.db2.gz DWPUKGNQHZUOTL-UHFFFAOYSA-N 1 0 317.389 3.911 20 5 DHBDRO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266721543 520273303 /nfs/dbraw/zinc/27/33/03/520273303.db2.gz HOPOAESAKZLUNN-LSDHHAIUSA-N 1 0 306.406 3.937 20 5 DHBDRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1O ZINC000266804358 520731123 /nfs/dbraw/zinc/73/11/23/520731123.db2.gz SSZAKUAEWYGJJM-GFCCVEGCSA-N 1 0 316.357 3.550 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000159949172 521172279 /nfs/dbraw/zinc/17/22/79/521172279.db2.gz GJISMUITUJLLII-ZBFHGGJFSA-N 1 0 306.406 3.983 20 5 DHBDRO CCOC1CC(CC[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000189260978 521646088 /nfs/dbraw/zinc/64/60/88/521646088.db2.gz ZXCPBPOZWNXHAJ-IMRCBTMISA-N 1 0 306.406 3.841 20 5 DHBDRO CCOC1CC(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000189262733 521647302 /nfs/dbraw/zinc/64/73/02/521647302.db2.gz PESHRUZHWUITEZ-WLYUNCDWSA-N 1 0 306.406 3.759 20 5 DHBDRO CCc1nc(CC[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000157128444 522285361 /nfs/dbraw/zinc/28/53/61/522285361.db2.gz ZOABVEUPTLHUDJ-OAHLLOKOSA-N 1 0 319.430 3.897 20 5 DHBDRO CC[C@@H]([NH2+][C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338016383 522943927 /nfs/dbraw/zinc/94/39/27/522943927.db2.gz KVQKGRGTQBWLLX-DOTOQJQBSA-N 1 0 306.406 3.577 20 5 DHBDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000158055793 524759040 /nfs/dbraw/zinc/75/90/40/524759040.db2.gz DODQDKMVKUETFV-OAHLLOKOSA-N 1 0 312.369 3.593 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000122741894 525729344 /nfs/dbraw/zinc/72/93/44/525729344.db2.gz BTNQBMYTHMZVGJ-GFCCVEGCSA-N 1 0 319.792 3.845 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCCCCn2cccn2)cc1[N+](=O)[O-] ZINC000181827877 525920837 /nfs/dbraw/zinc/92/08/37/525920837.db2.gz YMTNMQOLHXUAHH-HNNXBMFYSA-N 1 0 316.405 3.621 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000157955658 525924907 /nfs/dbraw/zinc/92/49/07/525924907.db2.gz LYTZUHYQMNVSCQ-JDFRZJQESA-N 1 0 304.390 3.511 20 5 DHBDRO COc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000158646838 526030810 /nfs/dbraw/zinc/03/08/10/526030810.db2.gz ZLPSDRDVCYOSDX-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccncc2)CC1 ZINC000191623587 526077743 /nfs/dbraw/zinc/07/77/43/526077743.db2.gz MWMSGISLXCLIHM-AWEZNQCLSA-N 1 0 311.385 3.930 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189152148 526084003 /nfs/dbraw/zinc/08/40/03/526084003.db2.gz RVQVIWIBXISFGC-CXAGYDPISA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266538280 526119320 /nfs/dbraw/zinc/11/93/20/526119320.db2.gz PBWRHQAOLCYKSI-CQSZACIVSA-N 1 0 304.390 3.548 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)CC1CCCC1)CCC2 ZINC000338026750 527380217 /nfs/dbraw/zinc/38/02/17/527380217.db2.gz KNLANBVPQVVRJA-MAUKXSAKSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCOC2)s1 ZINC000237956996 527395885 /nfs/dbraw/zinc/39/58/85/527395885.db2.gz JWKWZVQDPZOUQF-GFCCVEGCSA-N 1 0 318.398 3.592 20 5 DHBDRO CC[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000273184777 535905254 /nfs/dbraw/zinc/90/52/54/535905254.db2.gz FRJYTJOFJMDXSV-CPUCHLNUSA-N 1 0 306.406 3.841 20 5 DHBDRO CCN(Cc1c(Br)cccc1[N+](=O)[O-])CC(C)C ZINC000725263943 563570206 /nfs/dbraw/zinc/57/02/06/563570206.db2.gz VUJPCVNPZJFWEG-UHFFFAOYSA-N 1 0 315.211 3.835 20 5 DHBDRO CCOc1ncccc1CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000151199966 1013067286 /nfs/dbraw/zinc/06/72/86/1013067286.db2.gz MXAMIGBGMNFXIL-INIZCTEOSA-N 1 0 315.373 3.629 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCc2ccccc2O)cccc1[N+](=O)[O-] ZINC000154960115 1013115177 /nfs/dbraw/zinc/11/51/77/1013115177.db2.gz YQTUITZZUWUFHD-CYBMUJFWSA-N 1 0 300.358 3.502 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC001167255106 1013453480 /nfs/dbraw/zinc/45/34/80/1013453480.db2.gz CVMKXYRFTJUITO-INIZCTEOSA-N 1 0 303.406 3.925 20 5 DHBDRO CCc1cc(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000519784595 1013606365 /nfs/dbraw/zinc/60/63/65/1013606365.db2.gz DDPUEOKNIPHGFY-ZDUSSCGKSA-N 1 0 317.389 3.737 20 5 DHBDRO [NH3+]Cc1cnc2c(ccn2-c2ccc([N+](=O)[O-])c3ccccc32)c1 ZINC001167316568 1013830549 /nfs/dbraw/zinc/83/05/49/1013830549.db2.gz ZMYQEEFBLMERNL-UHFFFAOYSA-N 1 0 318.336 3.546 20 5 DHBDRO O=[N+]([O-])c1c(F)cccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000049980464 1014045438 /nfs/dbraw/zinc/04/54/38/1014045438.db2.gz YKXDCOZXRKOKII-AWEZNQCLSA-N 1 0 319.336 3.576 20 5 DHBDRO COc1ccccc1CN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000160416535 1014052292 /nfs/dbraw/zinc/05/22/92/1014052292.db2.gz CJIFNRSPGXRQEH-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO [NH3+]CCCCCCCOc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000818619642 1029421359 /nfs/dbraw/zinc/42/13/59/1029421359.db2.gz HNMKNRXZPWCUBU-UHFFFAOYSA-N 1 0 304.749 3.675 20 5 DHBDRO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H]1CC=CCC1 ZINC000485101072 1014444247 /nfs/dbraw/zinc/44/42/47/1014444247.db2.gz BFPYRJXEBXIMAV-INIZCTEOSA-N 1 0 318.417 3.708 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000610469583 1014476038 /nfs/dbraw/zinc/47/60/38/1014476038.db2.gz AWZDKLZKZCDBSO-UHFFFAOYSA-N 1 0 309.435 3.865 20 5 DHBDRO Cc1ccc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000520946730 1014616570 /nfs/dbraw/zinc/61/65/70/1014616570.db2.gz CPUYVCWPRWXGEQ-UHFFFAOYSA-N 1 0 302.374 3.952 20 5 DHBDRO CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521221436 1014669714 /nfs/dbraw/zinc/66/97/14/1014669714.db2.gz DOGOSLWWMJAJIN-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO CC(C)[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000121330563 1014794836 /nfs/dbraw/zinc/79/48/36/1014794836.db2.gz PZWZOMGPACDLKV-UHFFFAOYSA-N 1 0 313.195 3.730 20 5 DHBDRO CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)C ZINC000521819955 1014812412 /nfs/dbraw/zinc/81/24/12/1014812412.db2.gz OSJASRNDPLDSAQ-UHFFFAOYSA-N 1 0 318.377 3.513 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1c[nH]c2ccccc12 ZINC000581558369 1014993998 /nfs/dbraw/zinc/99/39/98/1014993998.db2.gz NZOIJSJPDHBGKJ-SFHVURJKSA-N 1 0 321.380 3.896 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC2(CCCCO2)CC1 ZINC000895656763 1015243938 /nfs/dbraw/zinc/24/39/38/1015243938.db2.gz SSTDHTURFBVJJU-UHFFFAOYSA-N 1 0 318.417 3.747 20 5 DHBDRO Cc1ccc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000895658901 1015246607 /nfs/dbraw/zinc/24/66/07/1015246607.db2.gz PGXJMTYIRIUSPQ-QGZVFWFLSA-N 1 0 314.385 3.505 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000090909795 1015297885 /nfs/dbraw/zinc/29/78/85/1015297885.db2.gz JICKFDJEZHZGED-INIZCTEOSA-N 1 0 314.410 3.964 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000895846877 1015331871 /nfs/dbraw/zinc/33/18/71/1015331871.db2.gz RJLMQVJIJLEKQO-MAUKXSAKSA-N 1 0 318.417 3.719 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000051231144 1015344001 /nfs/dbraw/zinc/34/40/01/1015344001.db2.gz BZGUSRRYMRKXDN-CQSZACIVSA-N 1 0 318.398 3.872 20 5 DHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000341601727 1015582525 /nfs/dbraw/zinc/58/25/25/1015582525.db2.gz WVIMBGUXHAPANC-AWEZNQCLSA-N 1 0 316.405 3.595 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000522660924 1015790294 /nfs/dbraw/zinc/79/02/94/1015790294.db2.gz XAHOKBVBDMWEIB-UHFFFAOYSA-N 1 0 314.360 3.941 20 5 DHBDRO Cc1occc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610805275 1015848349 /nfs/dbraw/zinc/84/83/49/1015848349.db2.gz PNQALBYJACFFEE-MRXNPFEDSA-N 1 0 300.358 3.607 20 5 DHBDRO Cc1ccccc1[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000341925456 1015850454 /nfs/dbraw/zinc/85/04/54/1015850454.db2.gz DOLBJSAYIONBEC-HNNXBMFYSA-N 1 0 316.405 3.514 20 5 DHBDRO CCC[C@@H](N[C@H](C)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000320343929 1016101682 /nfs/dbraw/zinc/10/16/82/1016101682.db2.gz JSNSAPAWDDDAPL-RHSMWYFYSA-N 1 0 307.438 3.754 20 5 DHBDRO CCC[C@@H](N[C@@H](C)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000320343933 1016101866 /nfs/dbraw/zinc/10/18/66/1016101866.db2.gz JSNSAPAWDDDAPL-WMLDXEAASA-N 1 0 307.438 3.754 20 5 DHBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000065534904 1016202344 /nfs/dbraw/zinc/20/23/44/1016202344.db2.gz IYOYNAQTNPBKMN-UHFFFAOYSA-N 1 0 314.385 3.538 20 5 DHBDRO Cc1ccc([C@H](C)[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000065534833 1016204919 /nfs/dbraw/zinc/20/49/19/1016204919.db2.gz CTKAINFEZIZZTB-HNNXBMFYSA-N 1 0 314.385 3.975 20 5 DHBDRO Cc1ccc2c(CC[NH2+]Cc3ccccc3[N+](=O)[O-])c[nH]c2c1 ZINC000237885636 1032145529 /nfs/dbraw/zinc/14/55/29/1032145529.db2.gz SMLHPBGFPKISGQ-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO C[C@@H](c1ccccc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051428934 1016358709 /nfs/dbraw/zinc/35/87/09/1016358709.db2.gz JGONRMWKUPLNGF-AWEZNQCLSA-N 1 0 300.358 3.667 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579707 1016458983 /nfs/dbraw/zinc/45/89/83/1016458983.db2.gz NRIXTWXRFQJGAR-AAEUAGOBSA-N 1 0 314.332 3.668 20 5 DHBDRO CC[C@@H]([NH2+]CCn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000346801017 1016553608 /nfs/dbraw/zinc/55/36/08/1016553608.db2.gz ZZJNQZJRJVPKSJ-MRXNPFEDSA-N 1 0 324.384 3.685 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1ccccc1 ZINC000072555595 1016555281 /nfs/dbraw/zinc/55/52/81/1016555281.db2.gz AFGSOGQXSDONKJ-CQSZACIVSA-N 1 0 300.358 3.667 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000582340053 1016599564 /nfs/dbraw/zinc/59/95/64/1016599564.db2.gz ANFQAIBVOWXCJX-FHMRSRPSSA-N 1 0 314.307 3.882 20 5 DHBDRO CCC(CC)[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000478249962 1016657171 /nfs/dbraw/zinc/65/71/71/1016657171.db2.gz HNELCEHFCSNBQK-MRXNPFEDSA-N 1 0 312.385 3.665 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)C2CCCCC2)C2CC2)c1 ZINC000475054967 1016760601 /nfs/dbraw/zinc/76/06/01/1016760601.db2.gz QHPGIKPLCHFGKO-GOSISDBHSA-N 1 0 318.417 3.500 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000323600806 1016906532 /nfs/dbraw/zinc/90/65/32/1016906532.db2.gz HORQDRNNRLWTHM-RKVPGOIHSA-N 1 0 320.433 3.824 20 5 DHBDRO CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000089513418 1032151998 /nfs/dbraw/zinc/15/19/98/1032151998.db2.gz KFFBZAKGDBBBAP-OAHLLOKOSA-N 1 0 300.358 3.991 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC001168528466 1016962923 /nfs/dbraw/zinc/96/29/23/1016962923.db2.gz DOVHIGBMZFJYNF-QGZVFWFLSA-N 1 0 314.360 3.845 20 5 DHBDRO CO[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000072924579 1016995278 /nfs/dbraw/zinc/99/52/78/1016995278.db2.gz DODIAXNHAHAULE-QGZVFWFLSA-N 1 0 318.373 3.615 20 5 DHBDRO Cc1cc(NC2CCC([NH+]3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000080247889 1032212058 /nfs/dbraw/zinc/21/20/58/1032212058.db2.gz YBWQUDSHUOXXMX-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000368218128 1032447455 /nfs/dbraw/zinc/44/74/55/1032447455.db2.gz DTCOTJDZMMIRGK-KGLIPLIRSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000773134784 1032568899 /nfs/dbraw/zinc/56/88/99/1032568899.db2.gz BGBOKBGROSKAQY-CJYSPXJISA-N 1 0 324.471 3.625 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000610214984 1012423750 /nfs/dbraw/zinc/42/37/50/1012423750.db2.gz GXEVZIVCHWFJOQ-HNNXBMFYSA-N 1 0 314.360 3.799 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000515184687 1012571870 /nfs/dbraw/zinc/57/18/70/1012571870.db2.gz IJPCXCGUVFJWTL-HOCLYGCPSA-N 1 0 318.417 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3F)o2)cc1 ZINC000515676963 1012694504 /nfs/dbraw/zinc/69/45/04/1012694504.db2.gz DGAOPYZJBMGZRR-LSDHHAIUSA-N 1 0 304.321 3.835 20 5 DHBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)cc(Cl)c1F ZINC001225909337 1012856810 /nfs/dbraw/zinc/85/68/10/1012856810.db2.gz AECPWCXZRDRNGC-QMMMGPOBSA-N 1 0 314.730 3.971 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000037565858 1032667261 /nfs/dbraw/zinc/66/72/61/1032667261.db2.gz MXPLTDSPVJXJIT-LBPRGKRZSA-N 1 0 302.761 3.678 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000517616992 1013026866 /nfs/dbraw/zinc/02/68/66/1013026866.db2.gz QUZCSIOKZCZBBI-SCLBCKFNSA-N 1 0 312.369 3.812 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000475271327 1017111282 /nfs/dbraw/zinc/11/12/82/1017111282.db2.gz CLUHHHASYFDDPY-GWCFXTLKSA-N 1 0 302.296 3.676 20 5 DHBDRO CC[C@@H](Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000611480934 1017216348 /nfs/dbraw/zinc/21/63/48/1017216348.db2.gz WTNQIFYAGQMOBO-QGZVFWFLSA-N 1 0 323.356 3.739 20 5 DHBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCC1 ZINC000475578008 1017460933 /nfs/dbraw/zinc/46/09/33/1017460933.db2.gz KOMLZDSBCSOHBW-UHFFFAOYSA-N 1 0 314.332 3.818 20 5 DHBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168465 1017596320 /nfs/dbraw/zinc/59/63/20/1017596320.db2.gz WHRIBPWQLLWVLB-NWDGAFQWSA-N 1 0 303.362 3.747 20 5 DHBDRO Cc1cccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC000444686030 1017615309 /nfs/dbraw/zinc/61/53/09/1017615309.db2.gz UJASOCLBLXATPZ-CYBMUJFWSA-N 1 0 324.384 3.939 20 5 DHBDRO Cc1cccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC000444686031 1017616340 /nfs/dbraw/zinc/61/63/40/1017616340.db2.gz UJASOCLBLXATPZ-ZDUSSCGKSA-N 1 0 324.384 3.939 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)nc2c1 ZINC000083213187 1017638489 /nfs/dbraw/zinc/63/84/89/1017638489.db2.gz AQNUDDXRQQGNAJ-FZMZJTMJSA-N 1 0 301.346 3.501 20 5 DHBDRO Cc1cc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000444732301 1017646624 /nfs/dbraw/zinc/64/66/24/1017646624.db2.gz IMDTYKWZLWTCGH-UHFFFAOYSA-N 1 0 302.349 3.983 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000444828577 1017691048 /nfs/dbraw/zinc/69/10/48/1017691048.db2.gz OGRFCVFNXCENNN-RYUDHWBXSA-N 1 0 309.797 3.595 20 5 DHBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000524266074 1017944691 /nfs/dbraw/zinc/94/46/91/1017944691.db2.gz RHQXTXAFLKLLRJ-GFCCVEGCSA-N 1 0 309.385 3.656 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000613180024 1017963469 /nfs/dbraw/zinc/96/34/69/1017963469.db2.gz FERIRVVAYBWUTC-GDBMZVCRSA-N 1 0 311.385 3.615 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000268929247 1018110191 /nfs/dbraw/zinc/11/01/91/1018110191.db2.gz LRXOIMMVXLHGCA-XCRHUMRWSA-N 1 0 312.369 3.776 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000525694968 1018357076 /nfs/dbraw/zinc/35/70/76/1018357076.db2.gz BIHJATIZFNLXJX-QLFBSQMISA-N 1 0 304.390 3.662 20 5 DHBDRO CC(C)C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000447542955 1018413649 /nfs/dbraw/zinc/41/36/49/1018413649.db2.gz QDDWSJNYCGZHPY-FUHWJXTLSA-N 1 0 319.449 3.538 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764884231 1018416627 /nfs/dbraw/zinc/41/66/27/1018416627.db2.gz YLYWZQJJVBJQAI-JSGCOSHPSA-N 1 0 316.405 3.721 20 5 DHBDRO Cc1cccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1C ZINC001168757353 1018457600 /nfs/dbraw/zinc/45/76/00/1018457600.db2.gz CCXUGCRGFAADGT-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO Cn1cccc1[C@H]1CCCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000175130453 1018501774 /nfs/dbraw/zinc/50/17/74/1018501774.db2.gz RLKMRGMDZWHZBZ-QGZVFWFLSA-N 1 0 317.364 3.800 20 5 DHBDRO COCC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1C ZINC000349974074 1018851028 /nfs/dbraw/zinc/85/10/28/1018851028.db2.gz LMQYHAPKZTUQOD-UHFFFAOYSA-N 1 0 320.414 3.613 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCC2CCOCC2)c1 ZINC000765937229 1018906312 /nfs/dbraw/zinc/90/63/12/1018906312.db2.gz GHIMNIQUCMTAGP-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO CC1(C)C[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000922951341 1018936134 /nfs/dbraw/zinc/93/61/34/1018936134.db2.gz NEFCSKPRBZWCHR-VIHMKRCTSA-N 1 0 318.417 3.791 20 5 DHBDRO COc1cc(C[NH+]2CCC(C)(C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000584141601 1018978416 /nfs/dbraw/zinc/97/84/16/1018978416.db2.gz GKICPEJUAMOPNI-UHFFFAOYSA-N 1 0 322.380 3.755 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000777010206 1032817828 /nfs/dbraw/zinc/81/78/28/1032817828.db2.gz YMHKYMKHZGITPU-STQMWFEESA-N 1 0 320.311 3.603 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000601304037 1019294303 /nfs/dbraw/zinc/29/43/03/1019294303.db2.gz JLEJRKUYNGBPGH-JCURWCKSSA-N 1 0 304.390 3.593 20 5 DHBDRO CC[C@@H](CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000077452366 1019323240 /nfs/dbraw/zinc/32/32/40/1019323240.db2.gz VQLSRPCMDYFMGL-LBPRGKRZSA-N 1 0 320.414 3.574 20 5 DHBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC001171671214 1032828382 /nfs/dbraw/zinc/82/83/82/1032828382.db2.gz RTOQMNJKHPFZIT-CYBMUJFWSA-N 1 0 314.360 3.896 20 5 DHBDRO CCc1ccc([C@@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000090844000 1019419432 /nfs/dbraw/zinc/41/94/32/1019419432.db2.gz NACFIFMWBLMXIM-SCLBCKFNSA-N 1 0 314.385 3.541 20 5 DHBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCCC1 ZINC000611253264 1019420558 /nfs/dbraw/zinc/42/05/58/1019420558.db2.gz NYLJHMNRWRIQFA-UHFFFAOYSA-N 1 0 320.389 3.521 20 5 DHBDRO C[C@@](CO)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000255413320 1019437236 /nfs/dbraw/zinc/43/72/36/1019437236.db2.gz LSDCAOMOYBJKSE-CNRGFGOASA-N 1 0 318.417 3.529 20 5 DHBDRO C[C@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000611413469 1019477138 /nfs/dbraw/zinc/47/71/38/1019477138.db2.gz WHVYFBGQGJMMNY-GXTWGEPZSA-N 1 0 317.414 3.731 20 5 DHBDRO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000255673007 1019555360 /nfs/dbraw/zinc/55/53/60/1019555360.db2.gz NYXMRLINIRXZOJ-ALCCZGGFSA-N 1 0 317.414 3.629 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000727822869 1019824470 /nfs/dbraw/zinc/82/44/70/1019824470.db2.gz DFUQKWRDQKUVMK-SNVBAGLBSA-N 1 0 307.375 3.704 20 5 DHBDRO CCC[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000318319053 1020037382 /nfs/dbraw/zinc/03/73/82/1020037382.db2.gz VXPSXBJMYHXFCA-MRXNPFEDSA-N 1 0 305.422 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CSc3ccccc32)cc1 ZINC000092274906 1020081591 /nfs/dbraw/zinc/08/15/91/1020081591.db2.gz VPJZJVBJEFCBRI-CYBMUJFWSA-N 1 0 300.383 3.574 20 5 DHBDRO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC000922537866 1020118268 /nfs/dbraw/zinc/11/82/68/1020118268.db2.gz LQBOSIAGKHDYIM-LLVKDONJSA-N 1 0 305.765 3.802 20 5 DHBDRO COc1ccccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000154560938 1020127172 /nfs/dbraw/zinc/12/71/72/1020127172.db2.gz UXVGNXYPWUOIID-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccccn2)C2CC2)ccc1Cl ZINC000922585140 1020143840 /nfs/dbraw/zinc/14/38/40/1020143840.db2.gz IQHLONPUGFBWPU-MRXNPFEDSA-N 1 0 317.776 3.884 20 5 DHBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000093315548 1020146081 /nfs/dbraw/zinc/14/60/81/1020146081.db2.gz CJVGCFNVSYNNAX-ZDUSSCGKSA-N 1 0 300.358 3.802 20 5 DHBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000093445085 1020152311 /nfs/dbraw/zinc/15/23/11/1020152311.db2.gz CJXVVDXTPFSAER-KRWDZBQOSA-N 1 0 311.385 3.944 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154974213 1020173032 /nfs/dbraw/zinc/17/30/32/1020173032.db2.gz RLTTZGPSNGDIME-AWEZNQCLSA-N 1 0 305.422 3.510 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000154965338 1020173379 /nfs/dbraw/zinc/17/33/79/1020173379.db2.gz QYZXFWMRYYPUMR-QGZVFWFLSA-N 1 0 314.385 3.974 20 5 DHBDRO C[C@@H](C1CC1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555299250 1020196706 /nfs/dbraw/zinc/19/67/06/1020196706.db2.gz AVUNHVJJLZXKQQ-VIFPVBQESA-N 1 0 302.296 3.844 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000922674357 1020207331 /nfs/dbraw/zinc/20/73/31/1020207331.db2.gz VPWUDJKRLQGWNT-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1ccc(OCC[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000487546549 1032885019 /nfs/dbraw/zinc/88/50/19/1032885019.db2.gz DBEGYPLWJZNXSF-HNNXBMFYSA-N 1 0 314.385 3.975 20 5 DHBDRO CC(C)N1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000330658670 1020236402 /nfs/dbraw/zinc/23/64/02/1020236402.db2.gz QULQXDXQWNYAEB-WMLDXEAASA-N 1 0 305.422 3.508 20 5 DHBDRO Cc1c([C@@H](C)NCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000156244664 1020333637 /nfs/dbraw/zinc/33/36/37/1020333637.db2.gz OOWKIVUTEFIITC-OAHLLOKOSA-N 1 0 307.438 3.673 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccsc2)cc1[N+](=O)[O-] ZINC000179395984 1020336948 /nfs/dbraw/zinc/33/69/48/1020336948.db2.gz SFKPQIFODOINFV-GFCCVEGCSA-N 1 0 320.414 3.948 20 5 DHBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000347631182 1020356006 /nfs/dbraw/zinc/35/60/06/1020356006.db2.gz BERUDVSMNGUNOT-STQMWFEESA-N 1 0 315.373 3.719 20 5 DHBDRO Cc1cc(N[C@@H]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000125929650 1020362775 /nfs/dbraw/zinc/36/27/75/1020362775.db2.gz ODZINKYAHKFHOE-GFCCVEGCSA-N 1 0 315.373 3.821 20 5 DHBDRO Cc1cc(NCC2(O)CCCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302215315 1020419618 /nfs/dbraw/zinc/41/96/18/1020419618.db2.gz ZYMPZJOTAGTLFJ-UHFFFAOYSA-N 1 0 315.373 3.559 20 5 DHBDRO COc1cc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000490093168 1020426761 /nfs/dbraw/zinc/42/67/61/1020426761.db2.gz XMDHOOOMNOHTDF-BPLDGKMQSA-N 1 0 304.390 3.756 20 5 DHBDRO C[C@@H](Cc1cccs1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774968 1020517270 /nfs/dbraw/zinc/51/72/70/1020517270.db2.gz CVKBMNRUJSHSDX-NSHDSACASA-N 1 0 308.378 3.858 20 5 DHBDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000554721571 1020564371 /nfs/dbraw/zinc/56/43/71/1020564371.db2.gz CYNVRMYUKODVMH-WIRRBCGGSA-N 1 0 310.353 3.720 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000163153043 1020578246 /nfs/dbraw/zinc/57/82/46/1020578246.db2.gz UZLBOKGZUXLAAB-IRXDYDNUSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000353508895 1020578631 /nfs/dbraw/zinc/57/86/31/1020578631.db2.gz HNSJXPVRAHDNIE-IRXDYDNUSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000411807801 1020604643 /nfs/dbraw/zinc/60/46/43/1020604643.db2.gz RUGZPSZJKRJEOF-HNNXBMFYSA-N 1 0 321.421 3.728 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cs1 ZINC000136734458 1020628308 /nfs/dbraw/zinc/62/83/08/1020628308.db2.gz JMBIOCCDEQHQTG-CYBMUJFWSA-N 1 0 310.419 3.628 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000612578236 1020630231 /nfs/dbraw/zinc/63/02/31/1020630231.db2.gz XVZOVARZMCXLDW-GOSISDBHSA-N 1 0 312.369 3.946 20 5 DHBDRO CC[S@@](=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000735084781 1020690547 /nfs/dbraw/zinc/69/05/47/1020690547.db2.gz UAYSVDNSBVPLSU-JOCHJYFZSA-N 1 0 311.450 3.851 20 5 DHBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001218030728 1020838045 /nfs/dbraw/zinc/83/80/45/1020838045.db2.gz UPJLKGUGYXXMAY-SCZZXKLOSA-N 1 0 319.188 3.669 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000580802737 1020861639 /nfs/dbraw/zinc/86/16/39/1020861639.db2.gz OYXZRLTZQHDGRC-RRQGHBQHSA-N 1 0 318.417 3.854 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000414107843 1020901395 /nfs/dbraw/zinc/90/13/95/1020901395.db2.gz ZGNRGQQHCHSQRO-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO CCN(CCC(F)(F)F)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000613377896 1020925691 /nfs/dbraw/zinc/92/56/91/1020925691.db2.gz KSWVUZHZVDCZIK-UHFFFAOYSA-N 1 0 324.274 3.517 20 5 DHBDRO CO[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000582431077 1020935906 /nfs/dbraw/zinc/93/59/06/1020935906.db2.gz RJPRAISWPHVUEQ-SJLPKXTDSA-N 1 0 312.369 3.559 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CS1 ZINC000414238742 1021024294 /nfs/dbraw/zinc/02/42/94/1021024294.db2.gz YAXJROVEXSMEHP-VDERGJSUSA-N 1 0 320.458 3.790 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C1CC1 ZINC000414335098 1021105854 /nfs/dbraw/zinc/10/58/54/1021105854.db2.gz JABSOJPMOVBHTC-BZUAXINKSA-N 1 0 312.369 3.655 20 5 DHBDRO C[NH+](C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000742393125 1021110941 /nfs/dbraw/zinc/11/09/41/1021110941.db2.gz ZMWZFGOXFCKGHU-OAHLLOKOSA-N 1 0 309.385 3.656 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000537989318 1032965951 /nfs/dbraw/zinc/96/59/51/1032965951.db2.gz BBJGRPDKLAZMLF-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154469909 1021334593 /nfs/dbraw/zinc/33/45/93/1021334593.db2.gz CPQREOUOUPMZFX-RDJZCZTQSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618568496 1021425991 /nfs/dbraw/zinc/42/59/91/1021425991.db2.gz XKHFJNOYTWPHJM-HWPZZCPQSA-N 1 0 315.373 3.928 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000618577710 1021429259 /nfs/dbraw/zinc/42/92/59/1021429259.db2.gz BOWCVOUKTOULAC-WMLDXEAASA-N 1 0 317.433 3.571 20 5 DHBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414479463 1021479360 /nfs/dbraw/zinc/47/93/60/1021479360.db2.gz IDGKQJBBNBNUSE-CYBMUJFWSA-N 1 0 318.373 3.617 20 5 DHBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 ZINC000850342358 1021480893 /nfs/dbraw/zinc/48/08/93/1021480893.db2.gz PZELFCJDNMWHAV-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000290249339 1021555930 /nfs/dbraw/zinc/55/59/30/1021555930.db2.gz JSUHKVGKYDCDCT-IYOUNJFTSA-N 1 0 314.385 3.676 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000290249345 1021564697 /nfs/dbraw/zinc/56/46/97/1021564697.db2.gz JSUHKVGKYDCDCT-SUNYJGFJSA-N 1 0 314.385 3.676 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000619499395 1021775399 /nfs/dbraw/zinc/77/53/99/1021775399.db2.gz KSMQAKWHNMICKA-CQSZACIVSA-N 1 0 317.414 3.590 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000290319444 1021797555 /nfs/dbraw/zinc/79/75/55/1021797555.db2.gz ODUQEVFCWGBEFD-DZGCQCFKSA-N 1 0 312.369 3.730 20 5 DHBDRO COc1cccc([C@@H](C)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000194984301 1021831890 /nfs/dbraw/zinc/83/18/90/1021831890.db2.gz JZSXDQXNLMDEBF-CYBMUJFWSA-N 1 0 300.358 3.796 20 5 DHBDRO CCc1onc(C)c1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000893091704 1021902722 /nfs/dbraw/zinc/90/27/22/1021902722.db2.gz FDOUPTZIQPVWLV-UHFFFAOYSA-N 1 0 317.389 3.566 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nccc2ccccc21 ZINC000619846236 1021920700 /nfs/dbraw/zinc/92/07/00/1021920700.db2.gz RWUHNDPSOIOCST-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000556888143 1021932038 /nfs/dbraw/zinc/93/20/38/1021932038.db2.gz ZFLDWKXTUWJXSE-SOFGYWHQSA-N 1 0 316.401 3.643 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000893114062 1021947574 /nfs/dbraw/zinc/94/75/74/1021947574.db2.gz UKZAVQIMXRPSPF-AWEZNQCLSA-N 1 0 324.808 3.830 20 5 DHBDRO CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051202756 1022060716 /nfs/dbraw/zinc/06/07/16/1022060716.db2.gz JJUWGKDGMJBFIQ-UHFFFAOYSA-N 1 0 300.358 3.626 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000183311788 1022100946 /nfs/dbraw/zinc/10/09/46/1022100946.db2.gz KDZPYNXWLFMOFS-KRWDZBQOSA-N 1 0 311.385 3.590 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000195326841 1022108784 /nfs/dbraw/zinc/10/87/84/1022108784.db2.gz ATUQMUSHJOAYFD-UHFFFAOYSA-N 1 0 318.417 3.561 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000195340169 1022121314 /nfs/dbraw/zinc/12/13/14/1022121314.db2.gz LKWCUSBEIUBQDB-AWEZNQCLSA-N 1 0 317.414 3.739 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000752313928 1022125214 /nfs/dbraw/zinc/12/52/14/1022125214.db2.gz JGXCPJVJHBANTD-INIZCTEOSA-N 1 0 300.333 3.551 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852598748 1022148255 /nfs/dbraw/zinc/14/82/55/1022148255.db2.gz YNXOJINPNQGFSP-DYVFJYSZSA-N 1 0 322.380 3.515 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000183562653 1022179590 /nfs/dbraw/zinc/17/95/90/1022179590.db2.gz PPLKTRRGMQPMDF-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC001168958766 1022200770 /nfs/dbraw/zinc/20/07/70/1022200770.db2.gz PGWWUXOKDDXLPS-ZJUUUORDSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2c3ccccc3-c3ccccc32)C1 ZINC001168976048 1022195623 /nfs/dbraw/zinc/19/56/23/1022195623.db2.gz YUSRIAQKHHFGTH-KBPBESRZSA-N 1 0 308.381 3.791 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cc(Cl)cc(Cl)c2)C1 ZINC001168976778 1022197312 /nfs/dbraw/zinc/19/73/12/1022197312.db2.gz GLHGACRUOGDKIV-BXUZGUMPSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)C1 ZINC001168980307 1022197413 /nfs/dbraw/zinc/19/74/13/1022197413.db2.gz CSFHZFJRJMHUHD-JLZZUVOBSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(F)c2)C2CCC2)C1 ZINC001168984310 1022199916 /nfs/dbraw/zinc/19/99/16/1022199916.db2.gz LTRBFKCBZVEVBT-JLZZUVOBSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC001168965984 1022203518 /nfs/dbraw/zinc/20/35/18/1022203518.db2.gz FJGXUWRPMHIBFW-VQIMIIECSA-N 1 0 310.397 3.889 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(C(F)(F)F)c1 ZINC001168970706 1022205014 /nfs/dbraw/zinc/20/50/14/1022205014.db2.gz IODOGEISJJHXGC-MJVIPROJSA-N 1 0 316.323 3.801 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)c(Cl)c1 ZINC001168973304 1022205191 /nfs/dbraw/zinc/20/51/91/1022205191.db2.gz NVGXUNKIHBJVML-FOGDFJRCSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)C1 ZINC001168991611 1022207437 /nfs/dbraw/zinc/20/74/37/1022207437.db2.gz IAVDOVCTCWMDOZ-IUODEOHRSA-N 1 0 308.809 3.754 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(F)c1 ZINC001168974444 1022207967 /nfs/dbraw/zinc/20/79/67/1022207967.db2.gz QKGBICBTNWATAO-CKYFFXLPSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)C1 ZINC001168991610 1022208040 /nfs/dbraw/zinc/20/80/40/1022208040.db2.gz IAVDOVCTCWMDOZ-DOMZBBRYSA-N 1 0 308.809 3.754 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CC2)c2ccc(F)cc2)C1 ZINC001168997568 1022210549 /nfs/dbraw/zinc/21/05/49/1022210549.db2.gz DLZHWHUKDLZKSI-XYPHTWIQSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)C1 ZINC001169006960 1022212079 /nfs/dbraw/zinc/21/20/79/1022212079.db2.gz ZVOLYMQKBSXPGV-NXHRZFHOSA-N 1 0 302.418 3.953 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)cc(Cl)c1 ZINC001169004162 1022212824 /nfs/dbraw/zinc/21/28/24/1022212824.db2.gz QIRZZSBOCICLIZ-BFVZDQMLSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001169007683 1022213401 /nfs/dbraw/zinc/21/34/01/1022213401.db2.gz PFMNIUXBYPCBOK-BGTYHANMSA-N 1 0 302.418 3.748 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2c3ccccc3Oc3ccccc32)C1 ZINC001168989310 1022219390 /nfs/dbraw/zinc/21/93/90/1022219390.db2.gz VVKOQKOYYWTPSS-ZIAGYGMSSA-N 1 0 324.380 3.917 20 5 DHBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036171 1022222837 /nfs/dbraw/zinc/22/28/37/1022222837.db2.gz FPELEXPEHUVXPF-GXTWGEPZSA-N 1 0 316.323 3.583 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2F)C1 ZINC001169048428 1022229643 /nfs/dbraw/zinc/22/96/43/1022229643.db2.gz UZJIYWJFTTUSLJ-FFSVYQOJSA-N 1 0 310.344 3.547 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)C1 ZINC001169057502 1022233496 /nfs/dbraw/zinc/23/34/96/1022233496.db2.gz WDDAPLUWUDDOQH-KNXALSJPSA-N 1 0 310.344 3.547 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cc(F)cc(F)c2)C1 ZINC001169057501 1022233936 /nfs/dbraw/zinc/23/39/36/1022233936.db2.gz WDDAPLUWUDDOQH-IUIKQTSFSA-N 1 0 310.344 3.547 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1ccncc1[N+](=O)[O-])c1ccsc1 ZINC000066808745 1022261241 /nfs/dbraw/zinc/26/12/41/1022261241.db2.gz CMKWNYWIQXUVBY-AWEZNQCLSA-N 1 0 320.418 3.546 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC001169136425 1022263684 /nfs/dbraw/zinc/26/36/84/1022263684.db2.gz LBTHFTQTFLUDIX-SUMWQHHRSA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169144464 1022275418 /nfs/dbraw/zinc/27/54/18/1022275418.db2.gz MJFVCYUWSLFQER-CXAGYDPISA-N 1 0 305.422 3.859 20 5 DHBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169144968 1022275556 /nfs/dbraw/zinc/27/55/56/1022275556.db2.gz BMVFAKJZDPRNIR-SJKOYZFVSA-N 1 0 323.412 3.998 20 5 DHBDRO Cc1cccc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169145997 1022276545 /nfs/dbraw/zinc/27/65/45/1022276545.db2.gz QKQYOWIENHHOJV-DYVFJYSZSA-N 1 0 305.422 3.859 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1F ZINC001169153828 1022284244 /nfs/dbraw/zinc/28/42/44/1022284244.db2.gz USCVCIKHSONXRF-SJCJKPOMSA-N 1 0 323.412 3.998 20 5 DHBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000763453600 1022290785 /nfs/dbraw/zinc/29/07/85/1022290785.db2.gz PMQAWMMXZNEKEC-JKSUJKDBSA-N 1 0 322.380 3.513 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000181586256 1022301155 /nfs/dbraw/zinc/30/11/55/1022301155.db2.gz XXKLDVOTVGFYKT-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO C[N@H+](CCc1ccc(Cl)cc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000609595965 1022315698 /nfs/dbraw/zinc/31/56/98/1022315698.db2.gz UQDFKZLWIHBBJD-UHFFFAOYSA-N 1 0 318.804 3.965 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000609744683 1022340676 /nfs/dbraw/zinc/34/06/76/1022340676.db2.gz STEBWOFSMZJZKM-UHFFFAOYSA-N 1 0 314.360 3.941 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800771 1022352070 /nfs/dbraw/zinc/35/20/70/1022352070.db2.gz SCNZCSYOUUONKF-KRWDZBQOSA-N 1 0 314.410 3.885 20 5 DHBDRO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)C(C)C ZINC000128464267 1022407089 /nfs/dbraw/zinc/40/70/89/1022407089.db2.gz GUUNYQTWGAXBDD-GFCCVEGCSA-N 1 0 318.377 3.511 20 5 DHBDRO COCC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000615836076 1022568484 /nfs/dbraw/zinc/56/84/84/1022568484.db2.gz OEJJBUWLNIRYJO-QINSGFPZSA-N 1 0 318.417 3.889 20 5 DHBDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000767195614 1022661345 /nfs/dbraw/zinc/66/13/45/1022661345.db2.gz MYKAFHBOPRSBLW-JKSUJKDBSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417318397 1022674270 /nfs/dbraw/zinc/67/42/70/1022674270.db2.gz YTCQKJXDBAMATR-IAGOWNOFSA-N 1 0 304.390 3.521 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cccs1 ZINC000417307787 1022676020 /nfs/dbraw/zinc/67/60/20/1022676020.db2.gz HHTITFIDFNWEMA-VHDGCEQUSA-N 1 0 316.426 3.981 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(C(F)F)CC1)CCCC2 ZINC000417326061 1022687371 /nfs/dbraw/zinc/68/73/71/1022687371.db2.gz FWLSYSUVEBAIPD-CQSZACIVSA-N 1 0 310.344 3.997 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000804355262 1022712085 /nfs/dbraw/zinc/71/20/85/1022712085.db2.gz UHJFVALTCUKSBG-UHFFFAOYSA-N 1 0 323.824 3.560 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173342685 1022817199 /nfs/dbraw/zinc/81/71/99/1022817199.db2.gz JAFTWLISGHTOBN-SUMWQHHRSA-N 1 0 300.358 3.633 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOC3CCC3)o2)cc1 ZINC000742385887 1022827814 /nfs/dbraw/zinc/82/78/14/1022827814.db2.gz ZZULILPKPMKDIT-UHFFFAOYSA-N 1 0 316.357 3.514 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000857083244 1022946252 /nfs/dbraw/zinc/94/62/52/1022946252.db2.gz VOPNUZLCCDKORV-MWLCHTKSSA-N 1 0 303.189 3.829 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnc(Cl)c1 ZINC000123249160 1023015558 /nfs/dbraw/zinc/01/55/58/1023015558.db2.gz OLYYUUMFAXECMO-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO COc1cc(NCCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC001167753544 1023042362 /nfs/dbraw/zinc/04/23/62/1023042362.db2.gz PNPACULDIOXKJC-CYBMUJFWSA-N 1 0 321.421 3.588 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000339018237 1033101104 /nfs/dbraw/zinc/10/11/04/1033101104.db2.gz TZFOIKVJZOPMRS-UHFFFAOYSA-N 1 0 314.307 3.990 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181406823 1023082946 /nfs/dbraw/zinc/08/29/46/1023082946.db2.gz PNAOUDFMVRJIEE-ZWKOTPCHSA-N 1 0 314.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCC(F)(F)F)CCC2 ZINC000278837235 1023233867 /nfs/dbraw/zinc/23/38/67/1023233867.db2.gz UNRGZKGWERTTAV-ZDUSSCGKSA-N 1 0 302.296 3.904 20 5 DHBDRO CC[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770306527 1023295368 /nfs/dbraw/zinc/29/53/68/1023295368.db2.gz YFRXDEMENZUEKS-SNVBAGLBSA-N 1 0 313.195 3.589 20 5 DHBDRO CC(C)[C@H](CNc1ccsc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000063258429 1023480632 /nfs/dbraw/zinc/48/06/32/1023480632.db2.gz WPLFZZGMMIURDE-AWEZNQCLSA-N 1 0 311.451 3.825 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCSC(F)(F)F)cccc1[N+](=O)[O-] ZINC000178418642 1023596457 /nfs/dbraw/zinc/59/64/57/1023596457.db2.gz JVLRIWXEDKIKHD-VIFPVBQESA-N 1 0 308.325 3.807 20 5 DHBDRO CC(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000788534639 1023907682 /nfs/dbraw/zinc/90/76/82/1023907682.db2.gz HMGTUTMKFZWOFC-JKSUJKDBSA-N 1 0 320.414 3.504 20 5 DHBDRO CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788588313 1023910162 /nfs/dbraw/zinc/91/01/62/1023910162.db2.gz LKBRACKISRXATK-CZUORRHYSA-N 1 0 313.401 3.849 20 5 DHBDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000788595429 1023911254 /nfs/dbraw/zinc/91/12/54/1023911254.db2.gz TYCPWRICZBOKCU-NWDGAFQWSA-N 1 0 317.364 3.770 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788606642 1023913116 /nfs/dbraw/zinc/91/31/16/1023913116.db2.gz KCFGUGCZWLQLGA-NSHDSACASA-N 1 0 319.430 3.867 20 5 DHBDRO C[C@H]([NH2+]CCCc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788804970 1023936913 /nfs/dbraw/zinc/93/69/13/1023936913.db2.gz ZBWZWBKHXKVKKZ-LBPRGKRZSA-N 1 0 317.364 3.600 20 5 DHBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876920652 1033184258 /nfs/dbraw/zinc/18/42/58/1033184258.db2.gz YWZXRPKVQUENTI-GMEATFMZSA-N 1 0 320.437 3.689 20 5 DHBDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001170117697 1024156014 /nfs/dbraw/zinc/15/60/14/1024156014.db2.gz MGBNJTZMGVCIPH-CVEARBPZSA-N 1 0 306.406 3.668 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268764627 1024155899 /nfs/dbraw/zinc/15/58/99/1024155899.db2.gz PKLVXJRFSLOIME-WBMJQRKESA-N 1 0 319.430 3.610 20 5 DHBDRO CCC[C@@H]([NH2+]CCCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000268881376 1024185781 /nfs/dbraw/zinc/18/57/81/1024185781.db2.gz RRTLTYAEBDJCLY-QGZVFWFLSA-N 1 0 316.405 3.621 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000051501875 1024218427 /nfs/dbraw/zinc/21/84/27/1024218427.db2.gz HEJIIPIIAMOATE-LLVKDONJSA-N 1 0 306.387 3.858 20 5 DHBDRO Nc1ccc2cc3ccc(Nc4cccc(=O)[nH]4)cc3[nH+]c2c1 ZINC001212792361 1024273246 /nfs/dbraw/zinc/27/32/46/1024273246.db2.gz OVOJMTYJCQFSMC-UHFFFAOYSA-N 1 0 302.337 3.814 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000531738045 1024290461 /nfs/dbraw/zinc/29/04/61/1024290461.db2.gz GJMIZFGBIWKCQJ-MSOLQXFVSA-N 1 0 314.385 3.678 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)c2ccnc(Cl)c2)cccc1[N+](=O)[O-] ZINC000790695317 1024357456 /nfs/dbraw/zinc/35/74/56/1024357456.db2.gz NHPBMPOXRWVGFE-LLVKDONJSA-N 1 0 305.765 3.802 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCCOC1 ZINC000883351416 1024397968 /nfs/dbraw/zinc/39/79/68/1024397968.db2.gz FLHIHJWHPXNRLR-ZQIUZPCESA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(NC2CCCC2)nc1 ZINC000538870021 1033210300 /nfs/dbraw/zinc/21/03/00/1033210300.db2.gz HGFKFYKEWVAJGY-UHFFFAOYSA-N 1 0 313.361 3.791 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCC1CCOCC1)CCC2 ZINC000453242471 1024434571 /nfs/dbraw/zinc/43/45/71/1024434571.db2.gz XYTKFINEEGCCMR-SFHVURJKSA-N 1 0 318.417 3.769 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000453307923 1024454492 /nfs/dbraw/zinc/45/44/92/1024454492.db2.gz CMFRWKLAJJDPSC-WMLDXEAASA-N 1 0 318.417 3.985 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CC1 ZINC000453320491 1024461036 /nfs/dbraw/zinc/46/10/36/1024461036.db2.gz PETHATTWPHFPRD-LSDHHAIUSA-N 1 0 324.371 3.941 20 5 DHBDRO Cc1cc(NCC[C@H]2CCCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302104611 1024472886 /nfs/dbraw/zinc/47/28/86/1024472886.db2.gz WUWHYYLHYUJXIG-CQSZACIVSA-N 1 0 315.373 3.823 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453352215 1024476329 /nfs/dbraw/zinc/47/63/29/1024476329.db2.gz INXUUFMFFFKYGS-WMLDXEAASA-N 1 0 320.458 3.745 20 5 DHBDRO C[C@@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCS1 ZINC000120399986 1024482004 /nfs/dbraw/zinc/48/20/04/1024482004.db2.gz JMIJFDHJUKXKPW-RDJZCZTQSA-N 1 0 320.458 3.791 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nccs1 ZINC000271513290 1024526068 /nfs/dbraw/zinc/52/60/68/1024526068.db2.gz PADWGQHWDQTMQP-ZDUSSCGKSA-N 1 0 319.430 3.595 20 5 DHBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)O1 ZINC000453634397 1024559437 /nfs/dbraw/zinc/55/94/37/1024559437.db2.gz SHKMNHIKKQLVPI-SWLSCSKDSA-N 1 0 316.357 3.512 20 5 DHBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC1(C)C ZINC000339134376 1024574207 /nfs/dbraw/zinc/57/42/07/1024574207.db2.gz VGBUFKZRVYFGNG-LBPRGKRZSA-N 1 0 302.296 3.844 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000532232503 1024585813 /nfs/dbraw/zinc/58/58/13/1024585813.db2.gz HFEYASVNWGLAQG-YOEHRIQHSA-N 1 0 308.422 3.741 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000585767910 1024605482 /nfs/dbraw/zinc/60/54/82/1024605482.db2.gz FCFGQEXIBVHJRI-QWSHFYNQSA-N 1 0 316.401 3.501 20 5 DHBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000106877009 1024606558 /nfs/dbraw/zinc/60/65/58/1024606558.db2.gz XEYTXZHDBZJUKC-LLVKDONJSA-N 1 0 305.403 3.861 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCc2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000278999164 1024672611 /nfs/dbraw/zinc/67/26/11/1024672611.db2.gz FOCVYLGBHCNEKH-QGZVFWFLSA-N 1 0 311.385 3.545 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC001170298386 1024729095 /nfs/dbraw/zinc/72/90/95/1024729095.db2.gz KTKUZNIEWQUHHZ-NSHDSACASA-N 1 0 320.414 3.694 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170317239 1024741010 /nfs/dbraw/zinc/74/10/10/1024741010.db2.gz CWFJUUXDWCAYQW-XJKCOSOUSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170334435 1024745717 /nfs/dbraw/zinc/74/57/17/1024745717.db2.gz DSLFKUGPLGOYSP-LZWOXQAQSA-N 1 0 318.417 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC001170335663 1024746046 /nfs/dbraw/zinc/74/60/46/1024746046.db2.gz QAEBBMQLNIATKF-ZDUSSCGKSA-N 1 0 304.390 3.553 20 5 DHBDRO COc1ccc(C[C@H](C)[N@H+](C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC001170352341 1024747742 /nfs/dbraw/zinc/74/77/42/1024747742.db2.gz MCYSSMPEVIBKEP-GXTWGEPZSA-N 1 0 306.406 3.512 20 5 DHBDRO CC[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170353607 1024748795 /nfs/dbraw/zinc/74/87/95/1024748795.db2.gz ZXYCLSMDARBLAJ-KBPBESRZSA-N 1 0 306.406 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[N@H+](C)CC2CCCC2)c([N+](=O)[O-])c1 ZINC001170352806 1024749357 /nfs/dbraw/zinc/74/93/57/1024749357.db2.gz QRSKCHYHAHDOJI-ZDUSSCGKSA-N 1 0 306.406 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2C3CCCC2CCC3)c([N+](=O)[O-])c1 ZINC001170355274 1024750443 /nfs/dbraw/zinc/75/04/43/1024750443.db2.gz YTFDPPIZNXXSLX-JEYLPNPQSA-N 1 0 318.417 3.941 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170347153 1024756664 /nfs/dbraw/zinc/75/66/64/1024756664.db2.gz QVUVKILLCAOINR-AWEZNQCLSA-N 1 0 318.417 3.801 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC001170345740 1024757961 /nfs/dbraw/zinc/75/79/61/1024757961.db2.gz LIUYOTNIDBNINF-MELADBBJSA-N 1 0 306.406 3.655 20 5 DHBDRO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000113314777 1024798668 /nfs/dbraw/zinc/79/86/68/1024798668.db2.gz BSIQMOHSLPZJOU-JTQLQIEISA-N 1 0 303.387 3.606 20 5 DHBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878074 1024820798 /nfs/dbraw/zinc/82/07/98/1024820798.db2.gz RVGSUSBLMMGUBG-DOMZBBRYSA-N 1 0 321.377 3.952 20 5 DHBDRO CO[C@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000793340567 1024984316 /nfs/dbraw/zinc/98/43/16/1024984316.db2.gz QRCMBJJVDYNCFT-OAHLLOKOSA-N 1 0 312.797 3.639 20 5 DHBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000793351209 1025021543 /nfs/dbraw/zinc/02/15/43/1025021543.db2.gz HERMLTBBZBBJCS-CYBMUJFWSA-N 1 0 307.350 3.514 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353746089 1025228054 /nfs/dbraw/zinc/22/80/54/1025228054.db2.gz KVMWYXZBRBPAIX-JGIVAVPZSA-N 1 0 316.401 3.501 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000897463069 1025367112 /nfs/dbraw/zinc/36/71/12/1025367112.db2.gz ASAWZTHMMISHAH-CZUORRHYSA-N 1 0 311.385 3.761 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000897463067 1025367173 /nfs/dbraw/zinc/36/71/73/1025367173.db2.gz ASAWZTHMMISHAH-CJNGLKHVSA-N 1 0 311.385 3.761 20 5 DHBDRO C[C@@H](C[NH2+]Cc1cnc(C2CC2)s1)c1ccccc1[N+](=O)[O-] ZINC000897466290 1025370806 /nfs/dbraw/zinc/37/08/06/1025370806.db2.gz QVNNXJKJXGRFRH-NSHDSACASA-N 1 0 317.414 3.822 20 5 DHBDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000015300583 1025373307 /nfs/dbraw/zinc/37/33/07/1025373307.db2.gz CLNLWJMNBAZNEX-KRWDZBQOSA-N 1 0 312.369 3.941 20 5 DHBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886014614 1025438335 /nfs/dbraw/zinc/43/83/35/1025438335.db2.gz LPEMKDSBRRWEEY-IUODEOHRSA-N 1 0 315.348 3.507 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCS1 ZINC000126475613 1033284527 /nfs/dbraw/zinc/28/45/27/1033284527.db2.gz FQIXIKQKVLLAIS-ZDUSSCGKSA-N 1 0 300.811 3.624 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000886107478 1025509387 /nfs/dbraw/zinc/50/93/87/1025509387.db2.gz RZSUYOQRQNOQNV-AWEZNQCLSA-N 1 0 305.765 3.884 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC000886111671 1025510776 /nfs/dbraw/zinc/51/07/76/1025510776.db2.gz GMWWRFLBOXIEFG-NUTKFTJISA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1cc([C@@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C2CC2)ccc1F ZINC000886116161 1025513067 /nfs/dbraw/zinc/51/30/67/1025513067.db2.gz BOOHLKPYDATYHM-INIZCTEOSA-N 1 0 315.348 3.678 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)CC2CCCC2)C2CC2)c1 ZINC000354847436 1025523654 /nfs/dbraw/zinc/52/36/54/1025523654.db2.gz BTXPKCJTTNHOIZ-GOSISDBHSA-N 1 0 318.417 3.500 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H](SC)C1 ZINC000355220483 1025645896 /nfs/dbraw/zinc/64/58/96/1025645896.db2.gz LHXDBQWUMRKBST-OAHLLOKOSA-N 1 0 324.446 3.711 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CSC(C)(C)C ZINC000178729435 1025968754 /nfs/dbraw/zinc/96/87/54/1025968754.db2.gz DOCNIKOPVWPHGH-NSHDSACASA-N 1 0 312.435 3.613 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000886924350 1025980421 /nfs/dbraw/zinc/98/04/21/1025980421.db2.gz XEVQJBHQHNAUGG-HNNXBMFYSA-N 1 0 304.296 3.650 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000089513251 1026052013 /nfs/dbraw/zinc/05/20/13/1026052013.db2.gz GAPFPMPHBVZDGE-GFCCVEGCSA-N 1 0 315.329 3.662 20 5 DHBDRO Cc1c([C@H](C)NC2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000089512893 1026052467 /nfs/dbraw/zinc/05/24/67/1026052467.db2.gz VTPQUQOTLRZWGZ-AWEZNQCLSA-N 1 0 319.449 3.817 20 5 DHBDRO CC1(C)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892817 1026071617 /nfs/dbraw/zinc/07/16/17/1026071617.db2.gz VJIOKFVGVAZVPL-UHFFFAOYSA-N 1 0 301.346 3.624 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289640439 1026110937 /nfs/dbraw/zinc/11/09/37/1026110937.db2.gz FOLGJPBOHMPOJX-DAXOMENPSA-N 1 0 304.390 3.545 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000576399650 1026279592 /nfs/dbraw/zinc/27/95/92/1026279592.db2.gz YGCUWEUHRYQGPP-KAPURRDVSA-N 1 0 323.396 3.883 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000808721556 1026367783 /nfs/dbraw/zinc/36/77/83/1026367783.db2.gz OKLCZRHXPINWBZ-PMUMKWKESA-N 1 0 314.385 3.676 20 5 DHBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809733021 1026598221 /nfs/dbraw/zinc/59/82/21/1026598221.db2.gz OTCRCRHOVXFLKZ-KYJSFNMBSA-N 1 0 320.433 3.823 20 5 DHBDRO CCC[C@H]([NH2+]CCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000063133654 1026644792 /nfs/dbraw/zinc/64/47/92/1026644792.db2.gz PUFYKSOYGWIVEI-AWEZNQCLSA-N 1 0 305.403 3.725 20 5 DHBDRO CCc1cccc2c(CC[NH2+]Cc3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000237007669 1026694842 /nfs/dbraw/zinc/69/48/42/1026694842.db2.gz PBEFSGLFLIFPDH-UHFFFAOYSA-N 1 0 323.396 3.971 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000280754358 1026702571 /nfs/dbraw/zinc/70/25/71/1026702571.db2.gz BXVMZYFFZIYNJH-IUODEOHRSA-N 1 0 324.371 3.941 20 5 DHBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000366477641 1026767902 /nfs/dbraw/zinc/76/79/02/1026767902.db2.gz OCVBGGOIBGKAPT-OAHLLOKOSA-N 1 0 312.797 3.639 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420944727 1026886949 /nfs/dbraw/zinc/88/69/49/1026886949.db2.gz JVRYGNFIVPZKOF-GFCCVEGCSA-N 1 0 302.296 3.759 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421366990 1026965777 /nfs/dbraw/zinc/96/57/77/1026965777.db2.gz ARGBEPNUICLWAS-HIFRSBDPSA-N 1 0 320.458 3.649 20 5 DHBDRO Cc1cc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC000421391041 1026978689 /nfs/dbraw/zinc/97/86/89/1026978689.db2.gz VYNLMESUMGMOGB-ZDUSSCGKSA-N 1 0 313.401 3.718 20 5 DHBDRO CC[C@@H](O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481687 1027006789 /nfs/dbraw/zinc/00/67/89/1027006789.db2.gz JRJIJBNNQMTKML-LLVKDONJSA-N 1 0 321.204 3.542 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCC(F)(F)F ZINC000811482741 1027009490 /nfs/dbraw/zinc/00/94/90/1027009490.db2.gz QONKZYVZUCVHCC-UHFFFAOYSA-N 1 0 317.094 3.944 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000367051504 1027038727 /nfs/dbraw/zinc/03/87/27/1027038727.db2.gz ZXOPGDFLBAJLCV-OAHLLOKOSA-N 1 0 324.808 3.687 20 5 DHBDRO Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000811812195 1027090434 /nfs/dbraw/zinc/09/04/34/1027090434.db2.gz OFERYRMZHDYSHT-WDEREUQCSA-N 1 0 309.797 3.594 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355754143 1027105189 /nfs/dbraw/zinc/10/51/89/1027105189.db2.gz ZODQNVVMCJWPQQ-RHSMWYFYSA-N 1 0 304.390 3.548 20 5 DHBDRO CC[NH+]1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000228840975 1027127827 /nfs/dbraw/zinc/12/78/27/1027127827.db2.gz AJMXPUGPRFPBAA-UHFFFAOYSA-N 1 0 318.204 3.798 20 5 DHBDRO Cc1ccc(F)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000572047748 1027166232 /nfs/dbraw/zinc/16/62/32/1027166232.db2.gz USEUWZLBFIOGKR-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573998550 1027349428 /nfs/dbraw/zinc/34/94/28/1027349428.db2.gz YTBWRZDNUFKSGW-HOCLYGCPSA-N 1 0 301.390 3.643 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCC(=O)CC1 ZINC000295654198 1027376160 /nfs/dbraw/zinc/37/61/60/1027376160.db2.gz ZMHJKZXDIFYVHG-UHFFFAOYSA-N 1 0 304.390 3.565 20 5 DHBDRO CC(C)Oc1ccnc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932178397 1027396784 /nfs/dbraw/zinc/39/67/84/1027396784.db2.gz NHSFVWXJSQRHTK-CYBMUJFWSA-N 1 0 315.373 3.628 20 5 DHBDRO CCCc1nc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000932180587 1027397820 /nfs/dbraw/zinc/39/78/20/1027397820.db2.gz AEFWWVUZPCQDKL-LLVKDONJSA-N 1 0 305.403 3.855 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000575098366 1027453123 /nfs/dbraw/zinc/45/31/23/1027453123.db2.gz GJZLDRGAMNEGHY-CABCVRRESA-N 1 0 307.438 3.674 20 5 DHBDRO C[C@@H](NCC(C)(C)[NH3+])c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423286239 1027482500 /nfs/dbraw/zinc/48/25/00/1027482500.db2.gz GFOUGORGKPZUFN-LLVKDONJSA-N 1 0 319.430 3.711 20 5 DHBDRO C[C@@H](NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423279558 1027493097 /nfs/dbraw/zinc/49/30/97/1027493097.db2.gz RMAFDQAWEIWAKK-CQSZACIVSA-N 1 0 305.422 3.558 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C/C=C/c3ccccc3)c2c1 ZINC000575900986 1027523025 /nfs/dbraw/zinc/52/30/25/1027523025.db2.gz WPMLTROXSIHTRL-QPJJXVBHSA-N 1 0 321.380 3.922 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1=Cc2ccccc2OC1 ZINC000576314231 1027600971 /nfs/dbraw/zinc/60/09/71/1027600971.db2.gz KBLIOBHWFJDYJP-UHFFFAOYSA-N 1 0 324.380 3.545 20 5 DHBDRO Cc1cnccc1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000576396680 1027613907 /nfs/dbraw/zinc/61/39/07/1027613907.db2.gz KODFFKMJCKRQKG-UHFFFAOYSA-N 1 0 311.385 3.505 20 5 DHBDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000932921976 1027650108 /nfs/dbraw/zinc/65/01/08/1027650108.db2.gz JQEZVUXATUPUQB-INIZCTEOSA-N 1 0 317.414 3.649 20 5 DHBDRO Cc1cccnc1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296540011 1027662067 /nfs/dbraw/zinc/66/20/67/1027662067.db2.gz QWUYRRNJKLBFSN-GOSISDBHSA-N 1 0 311.385 3.508 20 5 DHBDRO C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296726928 1027720373 /nfs/dbraw/zinc/72/03/73/1027720373.db2.gz NORBPJRBNBWOON-ZDUSSCGKSA-N 1 0 322.405 3.757 20 5 DHBDRO C[NH2+]CC1(c2ccc(-c3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC000600789147 1027831362 /nfs/dbraw/zinc/83/13/62/1027831362.db2.gz HULKUIZGRZJQNI-UHFFFAOYSA-N 1 0 300.333 3.652 20 5 DHBDRO Cc1ccc(-c2ccc([C@@H]3OCC[NH2+][C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000600789498 1027833060 /nfs/dbraw/zinc/83/30/60/1027833060.db2.gz FOMSICGLKDNANN-SCLBCKFNSA-N 1 0 312.369 3.620 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1OCc1c(C)cc(C)nc1C ZINC000601071130 1027968946 /nfs/dbraw/zinc/96/89/46/1027968946.db2.gz VDBDBVJKGQXWOO-UHFFFAOYSA-N 1 0 302.330 3.503 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC(C(F)(F)F)C1 ZINC000563414940 1028035519 /nfs/dbraw/zinc/03/55/19/1028035519.db2.gz BASAEWJXAZQRBG-SHVIVCPWSA-N 1 0 300.280 3.513 20 5 DHBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419811 1028038187 /nfs/dbraw/zinc/03/81/87/1028038187.db2.gz ZIECWGFHGNGDBG-CABZTGNLSA-N 1 0 302.296 3.903 20 5 DHBDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563549157 1028105407 /nfs/dbraw/zinc/10/54/07/1028105407.db2.gz OZTGZQQFAXBXFB-IAGOWNOFSA-N 1 0 324.380 3.868 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000578964213 1028288861 /nfs/dbraw/zinc/28/88/61/1028288861.db2.gz DBFYXUPWHFRLHX-LSDHHAIUSA-N 1 0 318.417 3.903 20 5 DHBDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059006 1028297601 /nfs/dbraw/zinc/29/76/01/1028297601.db2.gz NVVKFGWNVDAMMR-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000564100244 1028304094 /nfs/dbraw/zinc/30/40/94/1028304094.db2.gz OFMAJVWUYMKWHV-ALCCZGGFSA-N 1 0 302.296 3.786 20 5 DHBDRO CC1(C)SC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000579027402 1028304259 /nfs/dbraw/zinc/30/42/59/1028304259.db2.gz FDQLNPFRORDSIW-NOLJZWGESA-N 1 0 320.458 3.790 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ccc1C ZINC000449099435 1028350120 /nfs/dbraw/zinc/35/01/20/1028350120.db2.gz NNONKOWFMKTYEJ-AWEZNQCLSA-N 1 0 314.385 3.633 20 5 DHBDRO C[C@H]([NH2+]Cc1ccnn1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000449094484 1028367690 /nfs/dbraw/zinc/36/76/90/1028367690.db2.gz ZPNGXRCNMGTOLR-ZDUSSCGKSA-N 1 0 314.389 3.757 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562069 1028544295 /nfs/dbraw/zinc/54/42/95/1028544295.db2.gz WGPJWQUZDCMNNG-SUNKGSAMSA-N 1 0 315.373 3.744 20 5 DHBDRO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562829 1028544878 /nfs/dbraw/zinc/54/48/78/1028544878.db2.gz NJMDYRDOVVXOEH-MNOVXSKESA-N 1 0 305.403 3.520 20 5 DHBDRO CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000449346527 1028558084 /nfs/dbraw/zinc/55/80/84/1028558084.db2.gz AIXPXPRNYHUBCT-KGLIPLIRSA-N 1 0 316.405 3.654 20 5 DHBDRO CC[C@](C)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000449480206 1028679280 /nfs/dbraw/zinc/67/92/80/1028679280.db2.gz XVDOWENQCMHYBN-QGZVFWFLSA-N 1 0 318.373 3.760 20 5 DHBDRO Cc1ncsc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449497299 1028709387 /nfs/dbraw/zinc/70/93/87/1028709387.db2.gz IQFXJQBVWGQPIS-AWEZNQCLSA-N 1 0 317.414 3.739 20 5 DHBDRO CS[C@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000687927379 1028751422 /nfs/dbraw/zinc/75/14/22/1028751422.db2.gz WGAAMRLKFMISKX-ZDUSSCGKSA-N 1 0 314.838 3.966 20 5 DHBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000568612834 1029099770 /nfs/dbraw/zinc/09/97/70/1029099770.db2.gz GHVFBCAAOSDCPS-QGZVFWFLSA-N 1 0 318.348 3.854 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000568891461 1029143271 /nfs/dbraw/zinc/14/32/71/1029143271.db2.gz GNOLIFCZCYGDMY-YOEHRIQHSA-N 1 0 320.433 3.743 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCC[C@@H]3C3CC3)c2c1 ZINC000570360936 1029355196 /nfs/dbraw/zinc/35/51/96/1029355196.db2.gz DVGYMHADIKZPNC-WBVHZDCISA-N 1 0 313.401 3.787 20 5 DHBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000570368218 1029358181 /nfs/dbraw/zinc/35/81/81/1029358181.db2.gz YYCQSSNIRBDHBK-SFHVURJKSA-N 1 0 320.433 3.703 20 5 DHBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1=CCCCC1 ZINC000819238455 1029508795 /nfs/dbraw/zinc/50/87/95/1029508795.db2.gz GHMSEUOJERTCJO-QGZVFWFLSA-N 1 0 318.417 3.744 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1cscn1 ZINC000129995410 1029753059 /nfs/dbraw/zinc/75/30/59/1029753059.db2.gz PJZMZPWIFRFUEE-SWLSCSKDSA-N 1 0 317.414 3.552 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CCC(C)(C)C ZINC000530425055 1029843140 /nfs/dbraw/zinc/84/31/40/1029843140.db2.gz ZNRNXNZTPDWIPH-KBPBESRZSA-N 1 0 308.422 3.741 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451336762 1029849869 /nfs/dbraw/zinc/84/98/69/1029849869.db2.gz FZOOQBUYNIAATA-PILAGYSTSA-N 1 0 318.417 3.671 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451429042 1029869213 /nfs/dbraw/zinc/86/92/13/1029869213.db2.gz YRIDMKWKCPQNSC-PAYONLEZSA-N 1 0 318.417 3.590 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2cnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000865786327 1030024524 /nfs/dbraw/zinc/02/45/24/1030024524.db2.gz KMVMOOIHSGLDKL-UHFFFAOYSA-N 1 0 319.430 3.947 20 5 DHBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])cc1C(F)F)C1CC1 ZINC000865866683 1030068627 /nfs/dbraw/zinc/06/86/27/1030068627.db2.gz PJDDATWNOVJBOE-UHFFFAOYSA-N 1 0 313.348 3.819 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000924796326 1030191350 /nfs/dbraw/zinc/19/13/50/1030191350.db2.gz BKOKBMXOFCDLEG-SWLSCSKDSA-N 1 0 315.373 3.800 20 5 DHBDRO CCSC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866392720 1030276205 /nfs/dbraw/zinc/27/62/05/1030276205.db2.gz IKNYKYRFQJUMLQ-NSHDSACASA-N 1 0 312.410 3.540 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCSC1 ZINC000866401830 1030280075 /nfs/dbraw/zinc/28/00/75/1030280075.db2.gz FQDUQUQZUMSHOY-UONOGXRCSA-N 1 0 308.447 3.649 20 5 DHBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000866455211 1030305979 /nfs/dbraw/zinc/30/59/79/1030305979.db2.gz KBWQUJYSGBXNBP-VHSXEESVSA-N 1 0 323.393 3.781 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000866510045 1030335356 /nfs/dbraw/zinc/33/53/56/1030335356.db2.gz IPTLZGHYVSLZHU-JOQOYGCGSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000866510043 1030336206 /nfs/dbraw/zinc/33/62/06/1030336206.db2.gz IPTLZGHYVSLZHU-DHSIGJKJSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000866510044 1030336360 /nfs/dbraw/zinc/33/63/60/1030336360.db2.gz IPTLZGHYVSLZHU-JCKWVBRZSA-N 1 0 318.417 3.759 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C[NH+](C)C)c1 ZINC000925308059 1030341491 /nfs/dbraw/zinc/34/14/91/1030341491.db2.gz AOQLDILMGCXCMG-AWEZNQCLSA-N 1 0 313.401 3.507 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000866540181 1030359030 /nfs/dbraw/zinc/35/90/30/1030359030.db2.gz KJVQBAAUIVSHQP-CQSZACIVSA-N 1 0 313.401 3.820 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000866539994 1030359102 /nfs/dbraw/zinc/35/91/02/1030359102.db2.gz IYPLEHCURPSDAZ-KRWDZBQOSA-N 1 0 312.369 3.776 20 5 DHBDRO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866539990 1030359172 /nfs/dbraw/zinc/35/91/72/1030359172.db2.gz IWAFRBOSLWVXHH-LLVKDONJSA-N 1 0 306.387 3.824 20 5 DHBDRO CC(C)[C@H]1COCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925468021 1030368837 /nfs/dbraw/zinc/36/88/37/1030368837.db2.gz YBRHUBTUARFRNY-QZTJIDSGSA-N 1 0 320.433 3.568 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C2CC3(C2)COC(C)(C)C3)cc1[N+](=O)[O-] ZINC000925495762 1030377644 /nfs/dbraw/zinc/37/76/44/1030377644.db2.gz NSLMLGJRIUQHBD-UQHVZDHRSA-N 1 0 318.417 3.902 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C2CC3(C2)CO[C@H](C)C3)cc1[N+](=O)[O-] ZINC000925497409 1030378656 /nfs/dbraw/zinc/37/86/56/1030378656.db2.gz WKLZOLDXLXONMA-MZPXATCKSA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)C1(Br)CC1)c1ccccc1[N+](=O)[O-] ZINC000925691889 1030456261 /nfs/dbraw/zinc/45/62/61/1030456261.db2.gz KPDFMQQFQOCDRZ-ZJUUUORDSA-N 1 0 313.195 3.561 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CC(F)(F)C3)o2)cc1 ZINC000291653430 1030584161 /nfs/dbraw/zinc/58/41/61/1030584161.db2.gz DADWVQIVLXWCGQ-UHFFFAOYSA-N 1 0 322.311 3.990 20 5 DHBDRO COCc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000291656232 1030584220 /nfs/dbraw/zinc/58/42/20/1030584220.db2.gz DMYVIQODMXXWSB-UHFFFAOYSA-N 1 0 314.385 3.766 20 5 DHBDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824766602 1030627506 /nfs/dbraw/zinc/62/75/06/1030627506.db2.gz VVFBFQBZCDZFHZ-LLVKDONJSA-N 1 0 323.607 3.922 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1Cl ZINC000824750083 1030636015 /nfs/dbraw/zinc/63/60/15/1030636015.db2.gz CMBNKGILGOERPH-ZDUSSCGKSA-N 1 0 324.808 3.687 20 5 DHBDRO Cc1cccnc1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824783175 1030651956 /nfs/dbraw/zinc/65/19/56/1030651956.db2.gz FZKRVIQTDOFKKD-UHFFFAOYSA-N 1 0 319.792 3.674 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000359002466 1030722930 /nfs/dbraw/zinc/72/29/30/1030722930.db2.gz OZMKHMKWKCZGBO-JTQLQIEISA-N 1 0 314.332 3.689 20 5 DHBDRO O=[N+]([O-])c1cc(CNc2ccc3c([nH+]2)CCC3)ccc1Cl ZINC000825124658 1030729696 /nfs/dbraw/zinc/72/96/96/1030729696.db2.gz VKQNQKVYIGIAKJ-UHFFFAOYSA-N 1 0 303.749 3.744 20 5 DHBDRO CCC[C@H]([NH2+][C@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000359083193 1030767107 /nfs/dbraw/zinc/76/71/07/1030767107.db2.gz OZMPHKOKPZSLOL-RDJZCZTQSA-N 1 0 306.406 3.577 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825299285 1030768303 /nfs/dbraw/zinc/76/83/03/1030768303.db2.gz GYFXQJVOMWQISE-UKRRQHHQSA-N 1 0 312.797 3.686 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000926950459 1031014083 /nfs/dbraw/zinc/01/40/83/1031014083.db2.gz RZZAHDKUARORFM-JBLDHEPKSA-N 1 0 302.296 3.752 20 5 DHBDRO Cc1cnc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000926961059 1031018396 /nfs/dbraw/zinc/01/83/96/1031018396.db2.gz SUKPLLUOTLGOIC-QGZVFWFLSA-N 1 0 311.385 3.774 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000359559001 1031026523 /nfs/dbraw/zinc/02/65/23/1031026523.db2.gz OYNCHYPWQOEQOH-DYVFJYSZSA-N 1 0 304.390 3.616 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@H]1c1ccccc1 ZINC000559073708 1031089753 /nfs/dbraw/zinc/08/97/53/1031089753.db2.gz UXEFMSXGIPIONL-MJGOQNOKSA-N 1 0 310.397 3.873 20 5 DHBDRO CCc1cnc(CC[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)s1 ZINC000130326752 1031302732 /nfs/dbraw/zinc/30/27/32/1031302732.db2.gz RDDOWUDBCJXAIF-OAHLLOKOSA-N 1 0 319.430 3.897 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000872021558 1031405518 /nfs/dbraw/zinc/40/55/18/1031405518.db2.gz QNHFZMCWRJGHRL-DGCLKSJQSA-N 1 0 310.419 3.536 20 5 DHBDRO CCOCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872025719 1031409528 /nfs/dbraw/zinc/40/95/28/1031409528.db2.gz SBBQURAXGMAXJJ-GFCCVEGCSA-N 1 0 312.435 3.784 20 5 DHBDRO CCOCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872025720 1031410575 /nfs/dbraw/zinc/41/05/75/1031410575.db2.gz SBBQURAXGMAXJJ-LBPRGKRZSA-N 1 0 312.435 3.784 20 5 DHBDRO CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000872027204 1031411483 /nfs/dbraw/zinc/41/14/83/1031411483.db2.gz CAIDMEHQOBCSKW-NSHDSACASA-N 1 0 320.311 3.814 20 5 DHBDRO C[C@H]([NH2+]CCCOC1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027101 1031412489 /nfs/dbraw/zinc/41/24/89/1031412489.db2.gz BWVGODGTDFWLCP-LBPRGKRZSA-N 1 0 310.369 3.734 20 5 DHBDRO CC[C@@H](CCC(F)(F)F)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000872032734 1031417141 /nfs/dbraw/zinc/41/71/41/1031417141.db2.gz YUJBQDJJIDLYCQ-NSHDSACASA-N 1 0 320.311 3.814 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1scnc1C ZINC000872032860 1031417600 /nfs/dbraw/zinc/41/76/00/1031417600.db2.gz BENKSNIQTQVYTR-SECBINFHSA-N 1 0 323.443 3.932 20 5 DHBDRO CC[C@H](CCC(F)(F)F)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000872037476 1031421654 /nfs/dbraw/zinc/42/16/54/1031421654.db2.gz BXTJCPCRAIACHM-GFCCVEGCSA-N 1 0 304.312 3.848 20 5 DHBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038675 1031422480 /nfs/dbraw/zinc/42/24/80/1031422480.db2.gz ORXZWRBDZCGDNC-MWLCHTKSSA-N 1 0 321.352 3.621 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000872042544 1031428034 /nfs/dbraw/zinc/42/80/34/1031428034.db2.gz CBDWGTZNUHYUCG-NEPJUHHUSA-N 1 0 324.446 3.782 20 5 DHBDRO CCC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000872042030 1031428968 /nfs/dbraw/zinc/42/89/68/1031428968.db2.gz YWCRUELEFWZBSB-GFCCVEGCSA-N 1 0 310.369 3.591 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCSCC1 ZINC000872046613 1031433656 /nfs/dbraw/zinc/43/36/56/1031433656.db2.gz JRYDXGBLMDIVMZ-SNVBAGLBSA-N 1 0 312.460 3.863 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCOC1 ZINC000872049025 1031435800 /nfs/dbraw/zinc/43/58/00/1031435800.db2.gz OFZIFEYCXKVJQT-XHDPSFHLSA-N 1 0 312.797 3.543 20 5 DHBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872048047 1031436552 /nfs/dbraw/zinc/43/65/52/1031436552.db2.gz WVSHZUBAIQUXIB-HUBLWGQQSA-N 1 0 310.369 3.588 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000872050493 1031438350 /nfs/dbraw/zinc/43/83/50/1031438350.db2.gz BBOLJDBCLRTCTN-VXGBXAGGSA-N 1 0 324.446 3.925 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000872053081 1031440594 /nfs/dbraw/zinc/44/05/94/1031440594.db2.gz HSQDODBBYFYLDA-SRVKXCTJSA-N 1 0 324.446 3.923 20 5 DHBDRO C[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000872061117 1031453976 /nfs/dbraw/zinc/45/39/76/1031453976.db2.gz BUOAEKWERCHHKP-NXEZZACHSA-N 1 0 309.366 3.645 20 5 DHBDRO CCOCCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000536832097 1031457558 /nfs/dbraw/zinc/45/75/58/1031457558.db2.gz KMYKKYUKFWTWRV-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO CCOC1CC(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872065042 1031460623 /nfs/dbraw/zinc/46/06/23/1031460623.db2.gz RFZSLTBEMIJOKZ-PNESKVBLSA-N 1 0 310.369 3.590 20 5 DHBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000536874722 1031463593 /nfs/dbraw/zinc/46/35/93/1031463593.db2.gz GARSGLNGRGVDEJ-GFCCVEGCSA-N 1 0 305.403 3.725 20 5 DHBDRO C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071688 1031467147 /nfs/dbraw/zinc/46/71/47/1031467147.db2.gz VIRZCBAXJYVAIZ-QMMMGPOBSA-N 1 0 306.259 3.727 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)C(C)(C)O ZINC000872074083 1031469265 /nfs/dbraw/zinc/46/92/65/1031469265.db2.gz VPQBANHALKDLPP-YGRLFVJLSA-N 1 0 312.435 3.517 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000872073851 1031469684 /nfs/dbraw/zinc/46/96/84/1031469684.db2.gz WBUSXUHJYXSLCN-JKDFXYPNSA-N 1 0 318.348 3.507 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074832 1031472859 /nfs/dbraw/zinc/47/28/59/1031472859.db2.gz IVUSLBIQZFJCJY-STQMWFEESA-N 1 0 322.380 3.734 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083483 1031478797 /nfs/dbraw/zinc/47/87/97/1031478797.db2.gz BMUTXYOIEAXVHE-YPMHNXCESA-N 1 0 310.369 3.590 20 5 DHBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872096007 1031491340 /nfs/dbraw/zinc/49/13/40/1031491340.db2.gz XPBHFDHWRWRBBF-QJPTWQEYSA-N 1 0 312.435 3.517 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872109272 1031501887 /nfs/dbraw/zinc/50/18/87/1031501887.db2.gz KDEYTGBDFMZMPH-GZIXRCOHSA-N 1 0 304.390 3.511 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000537292031 1031556532 /nfs/dbraw/zinc/55/65/32/1031556532.db2.gz UFDPMUDUJUHFCQ-SFHVURJKSA-N 1 0 312.369 3.715 20 5 DHBDRO Cc1c(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000873122820 1031716900 /nfs/dbraw/zinc/71/69/00/1031716900.db2.gz VGXIEXYEAHDOAM-CHWSQXEVSA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1c(C[NH2+]CC2(c3ccccn3)CCC2)cccc1[N+](=O)[O-] ZINC000873124084 1031717205 /nfs/dbraw/zinc/71/72/05/1031717205.db2.gz BEGVIOWMRNANLV-UHFFFAOYSA-N 1 0 311.385 3.510 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)c1cccnc1 ZINC000873132194 1031719019 /nfs/dbraw/zinc/71/90/19/1031719019.db2.gz LBLQVWCRBYMNSN-UHFFFAOYSA-N 1 0 313.401 3.674 20 5 DHBDRO Cc1c(C[NH2+]C[C@H]2CC23CCSCC3)cccc1[N+](=O)[O-] ZINC000873132566 1031719540 /nfs/dbraw/zinc/71/95/40/1031719540.db2.gz XSVLUFJVDOXQES-CQSZACIVSA-N 1 0 306.431 3.526 20 5 DHBDRO C[C@@H](C[N+](C)(C)C)O[C@H]1CCc2cc(Br)ccc21 ZINC001224013256 1031734029 /nfs/dbraw/zinc/73/40/29/1031734029.db2.gz XYTXZKNXQLQBQS-NHYWBVRUSA-N 1 0 313.259 3.548 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H](O)c1ccccc1 ZINC000873193439 1031752264 /nfs/dbraw/zinc/75/22/64/1031752264.db2.gz CFGZWFVSIVPUGR-FUHWJXTLSA-N 1 0 314.385 3.505 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897749225 1031815408 /nfs/dbraw/zinc/81/54/08/1031815408.db2.gz ZEUHZOLYWSTUOP-WWTUQBGBSA-N 1 0 320.458 3.932 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897746409 1031828703 /nfs/dbraw/zinc/82/87/03/1031828703.db2.gz HYOHRYDYGIKHNN-YEWTVFCHSA-N 1 0 304.415 3.598 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846109770 1031860950 /nfs/dbraw/zinc/86/09/50/1031860950.db2.gz VNDUYDDLZYKSEL-YFCVBGDOSA-N 1 0 308.328 3.729 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1cncs1 ZINC000897932143 1031874099 /nfs/dbraw/zinc/87/40/99/1031874099.db2.gz IHTYCCCUOVUAKQ-BCMYLCSRSA-N 1 0 303.387 3.805 20 5 DHBDRO C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846182756 1031917333 /nfs/dbraw/zinc/91/73/33/1031917333.db2.gz CSUCBLVGTUGKED-HERUPUMHSA-N 1 0 315.776 3.532 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc(-n2ccnc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000361480844 1031945906 /nfs/dbraw/zinc/94/59/06/1031945906.db2.gz GYZIMAUJMJVFON-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO C[C@@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777954784 1032040486 /nfs/dbraw/zinc/04/04/86/1032040486.db2.gz PXUMZDBBFHELGG-CQSZACIVSA-N 1 0 314.389 3.538 20 5 DHBDRO C[C@@H]([N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1(C)CC1 ZINC000777962352 1032046731 /nfs/dbraw/zinc/04/67/31/1032046731.db2.gz AOHPFRHQPHXBJP-CYBMUJFWSA-N 1 0 314.389 3.536 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000877522900 1033333302 /nfs/dbraw/zinc/33/33/02/1033333302.db2.gz DXPJGAISNGMDAG-SFHVURJKSA-N 1 0 311.385 3.944 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000477867426 1033357763 /nfs/dbraw/zinc/35/77/63/1033357763.db2.gz TVTVKPYEAFOTJH-KBXCAEBGSA-N 1 0 320.433 3.885 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(OC2CCC2)CC1 ZINC000877593373 1033372218 /nfs/dbraw/zinc/37/22/18/1033372218.db2.gz TXVHVMNEVQDNOE-UHFFFAOYSA-N 1 0 318.417 3.745 20 5 DHBDRO CC(C)[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000138404297 1033412303 /nfs/dbraw/zinc/41/23/03/1033412303.db2.gz KENCUPBOBREXEG-UHFFFAOYSA-N 1 0 322.405 3.537 20 5 DHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@]12C[C@H]1CCCC2 ZINC000877686816 1033413253 /nfs/dbraw/zinc/41/32/53/1033413253.db2.gz YXVRFAXSCOADBR-JKDFXYPNSA-N 1 0 315.373 3.794 20 5 DHBDRO CCC1([NH+](C)C)CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877689466 1033413290 /nfs/dbraw/zinc/41/32/90/1033413290.db2.gz GZLMEUUHUXFUSG-UHFFFAOYSA-N 1 0 319.449 3.518 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(F)c1)CC2 ZINC001172899448 1033435174 /nfs/dbraw/zinc/43/51/74/1033435174.db2.gz YHSGPFRODBCCTO-KRWDZBQOSA-N 1 0 314.360 3.771 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC13CCCC3)CC2 ZINC001172906175 1033438317 /nfs/dbraw/zinc/43/83/17/1033438317.db2.gz WNSBPFDKCFOKCG-INIZCTEOSA-N 1 0 300.402 3.861 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1Cc3ccccc3C1)CC2 ZINC001172908866 1033441207 /nfs/dbraw/zinc/44/12/07/1033441207.db2.gz OXNUJEYFLSCMFP-SFHVURJKSA-N 1 0 308.381 3.858 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H](CF)C1)CC2 ZINC001172916526 1033464780 /nfs/dbraw/zinc/46/47/80/1033464780.db2.gz TXCOHBFKUBVYKL-BBRMVZONSA-N 1 0 306.381 3.524 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC3CCC(CC3)C1)CC2 ZINC001172920615 1033466742 /nfs/dbraw/zinc/46/67/42/1033466742.db2.gz LJFKHFZEUQLZTC-JTTJXQCZSA-N 1 0 314.429 3.964 20 5 DHBDRO C[N@H+](C[C@@H]1CC1(C)C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919230 1033467618 /nfs/dbraw/zinc/46/76/18/1033467618.db2.gz FJXYRRBBRXOCFG-HOTGVXAUSA-N 1 0 302.418 3.820 20 5 DHBDRO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172922105 1033469492 /nfs/dbraw/zinc/46/94/92/1033469492.db2.gz VVDRAJYCFSKNDQ-CKEIUWERSA-N 1 0 302.418 3.820 20 5 DHBDRO Cc1occc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911895 1033486128 /nfs/dbraw/zinc/48/61/28/1033486128.db2.gz KVKZZFFJEMKOHC-INIZCTEOSA-N 1 0 300.358 3.533 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)c1F ZINC001173181730 1033581128 /nfs/dbraw/zinc/58/11/28/1033581128.db2.gz PXCCWFZNCGOKED-NEPJUHHUSA-N 1 0 324.396 3.842 20 5 DHBDRO CCCC[C@@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173179543 1033581917 /nfs/dbraw/zinc/58/19/17/1033581917.db2.gz MDEPMCVRHSEGAE-VXGBXAGGSA-N 1 0 312.385 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC2(C)C)c1F ZINC001173182534 1033583600 /nfs/dbraw/zinc/58/36/00/1033583600.db2.gz STCYRRCMRCMFPF-NSHDSACASA-N 1 0 310.369 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H](C)CC2)c1F ZINC001173182800 1033583990 /nfs/dbraw/zinc/58/39/90/1033583990.db2.gz UHSVQBQCRJNRLR-CHWSQXEVSA-N 1 0 324.396 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@@H](C)CC23CC3)c1F ZINC001173191697 1033584163 /nfs/dbraw/zinc/58/41/63/1033584163.db2.gz GKMQIBXHCYOWRE-NWDGAFQWSA-N 1 0 322.380 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC3CCC2CC3)c1F ZINC001173195452 1033586195 /nfs/dbraw/zinc/58/61/95/1033586195.db2.gz GBYAIFVYYHRZCW-PNESKVBLSA-N 1 0 322.380 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCCC2(C)C)c1F ZINC001173193707 1033587019 /nfs/dbraw/zinc/58/70/19/1033587019.db2.gz VVAKMOKIFJCFJF-NHYWBVRUSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](CC2CC2)C2CC2)c1F ZINC001173193152 1033587593 /nfs/dbraw/zinc/58/75/93/1033587593.db2.gz QVHFOENJCJVIQH-LLVKDONJSA-N 1 0 322.380 3.548 20 5 DHBDRO Cc1cc(F)cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173217906 1033598325 /nfs/dbraw/zinc/59/83/25/1033598325.db2.gz NGPCHHIAVZCJJG-CYBMUJFWSA-N 1 0 302.349 3.763 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001173215318 1033598345 /nfs/dbraw/zinc/59/83/45/1033598345.db2.gz UUJDIZZJLIHLAY-SNVBAGLBSA-N 1 0 324.302 3.733 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(F)cc2)CC1 ZINC001173219626 1033600598 /nfs/dbraw/zinc/60/05/98/1033600598.db2.gz FDWRCQKCXCOPNB-CYBMUJFWSA-N 1 0 314.360 3.944 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001173219920 1033600921 /nfs/dbraw/zinc/60/09/21/1033600921.db2.gz RBWIEGQZINOIJC-KPZWWZAWSA-N 1 0 314.360 3.942 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173221262 1033600941 /nfs/dbraw/zinc/60/09/41/1033600941.db2.gz GTFNSOAUTJFCAN-CQSZACIVSA-N 1 0 314.385 3.666 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001173224933 1033602178 /nfs/dbraw/zinc/60/21/78/1033602178.db2.gz PLUCISOETBDPQR-JSGCOSHPSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C)Cc2ccccc2C1 ZINC001173221517 1033602614 /nfs/dbraw/zinc/60/26/14/1033602614.db2.gz NPKCKFZPDYHPTO-CQSZACIVSA-N 1 0 310.397 3.673 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2ccncc21 ZINC001173224785 1033603348 /nfs/dbraw/zinc/60/33/48/1033603348.db2.gz GZYDSLXRZFFIOO-SCLBCKFNSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(F)(F)F)CC1 ZINC001173223238 1033603839 /nfs/dbraw/zinc/60/38/39/1033603839.db2.gz ZBKAGXQXKKSXHF-LLVKDONJSA-N 1 0 316.323 3.800 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccsc2C1 ZINC001173226393 1033606160 /nfs/dbraw/zinc/60/61/60/1033606160.db2.gz JMISRCFSHPYHBC-GFCCVEGCSA-N 1 0 302.399 3.646 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001173229513 1033606249 /nfs/dbraw/zinc/60/62/49/1033606249.db2.gz VGRYZWUBFFYMPI-QWHCGFSZSA-N 1 0 312.360 3.893 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2ccsc2C1 ZINC001173226394 1033606263 /nfs/dbraw/zinc/60/62/63/1033606263.db2.gz JMISRCFSHPYHBC-LBPRGKRZSA-N 1 0 302.399 3.646 20 5 DHBDRO Cc1cc([C@@H]2CCC[N@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173229216 1033606323 /nfs/dbraw/zinc/60/63/23/1033606323.db2.gz RPZJNGSXEIUDDN-SJCJKPOMSA-N 1 0 315.373 3.659 20 5 DHBDRO CC(C)([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000878644415 1033781387 /nfs/dbraw/zinc/78/13/87/1033781387.db2.gz YXMCJEJBMIMMAT-ZDUSSCGKSA-N 1 0 304.390 3.521 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000479585815 1033827927 /nfs/dbraw/zinc/82/79/27/1033827927.db2.gz BBQBSUDFGQXGOW-RDJZCZTQSA-N 1 0 306.406 3.587 20 5 DHBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878889731 1033856163 /nfs/dbraw/zinc/85/61/63/1033856163.db2.gz GUEYFWFSKFBZIG-LLVKDONJSA-N 1 0 318.377 3.559 20 5 DHBDRO CCc1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000339044091 1033930684 /nfs/dbraw/zinc/93/06/84/1033930684.db2.gz ILGJTHXKVZPGFT-UHFFFAOYSA-N 1 0 311.385 3.717 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([C@@H](C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178552863 1034247161 /nfs/dbraw/zinc/24/71/61/1034247161.db2.gz PLCNNOUKTZQECX-ACJLOTCBSA-N 1 0 314.385 3.889 20 5 DHBDRO Cc1ccc(NCc2cccc([N+](=O)[O-])c2C)c(C[NH+](C)C)c1 ZINC000864011325 1034250959 /nfs/dbraw/zinc/25/09/59/1034250959.db2.gz BETWNNCLCNRCIH-UHFFFAOYSA-N 1 0 313.401 3.885 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178643005 1034255746 /nfs/dbraw/zinc/25/57/46/1034255746.db2.gz ZRPKQVLLNBSERV-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000480481368 1034262223 /nfs/dbraw/zinc/26/22/23/1034262223.db2.gz ZHEDPFJNMFEJAR-WVRJYTFGSA-N 1 0 324.380 3.981 20 5 DHBDRO Cc1c(CNc2ccc(C[NH+](C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000864036925 1034270600 /nfs/dbraw/zinc/27/06/00/1034270600.db2.gz ITBDBDWSOHREAP-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO Cc1cc(NCc2cccc([N+](=O)[O-])c2C)ccc1C[NH+](C)C ZINC000864041148 1034271946 /nfs/dbraw/zinc/27/19/46/1034271946.db2.gz YAOPSMAPCSPWJY-UHFFFAOYSA-N 1 0 313.401 3.885 20 5 DHBDRO Cc1ncsc1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000179518281 1034312131 /nfs/dbraw/zinc/31/21/31/1034312131.db2.gz OOIPKRQPQSVRMB-UHFFFAOYSA-N 1 0 317.414 3.567 20 5 DHBDRO C[C@@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480604623 1034345344 /nfs/dbraw/zinc/34/53/44/1034345344.db2.gz YXNJAZOZIUIHLF-OWCLPIDISA-N 1 0 319.449 3.613 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000480619915 1034354912 /nfs/dbraw/zinc/35/49/12/1034354912.db2.gz BLHQOLWCUVTHIU-LZWOXQAQSA-N 1 0 319.449 3.674 20 5 DHBDRO CC[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183988431 1034436874 /nfs/dbraw/zinc/43/68/74/1034436874.db2.gz GKDSHCDYJIWBAI-DLBZAZTESA-N 1 0 306.406 3.985 20 5 DHBDRO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1C ZINC000555338904 1034630157 /nfs/dbraw/zinc/63/01/57/1034630157.db2.gz OSLJLBADVZUUKT-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000481186702 1034644606 /nfs/dbraw/zinc/64/46/06/1034644606.db2.gz IHHAMSPUIANXOE-MISXGVKJSA-N 1 0 310.369 3.657 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192852002 1034710381 /nfs/dbraw/zinc/71/03/81/1034710381.db2.gz OPMRAISCXKUBPN-SJCJKPOMSA-N 1 0 316.405 3.829 20 5 DHBDRO C[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCCC1 ZINC000555462794 1034722784 /nfs/dbraw/zinc/72/27/84/1034722784.db2.gz OWPHTFXZHNIQAZ-AWEZNQCLSA-N 1 0 320.437 3.645 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000777440459 1034745254 /nfs/dbraw/zinc/74/52/54/1034745254.db2.gz WUPBOUGZOHJMGK-HNNXBMFYSA-N 1 0 324.808 3.639 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC000600140087 1034763012 /nfs/dbraw/zinc/76/30/12/1034763012.db2.gz ZNPVRLPSRZUUQY-SECBINFHSA-N 1 0 318.751 3.814 20 5 DHBDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1[N+](=O)[O-] ZINC000600214514 1034815691 /nfs/dbraw/zinc/81/56/91/1034815691.db2.gz RTKXEGGSPVFHKA-INIZCTEOSA-N 1 0 312.369 3.598 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(Cc2cccs2)C1 ZINC000600214944 1034815764 /nfs/dbraw/zinc/81/57/64/1034815764.db2.gz IIMOIWOHAYVAEY-ZZXKWVIFSA-N 1 0 314.410 3.844 20 5 DHBDRO Cc1c([C@H](C)NCC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000481408871 1034821320 /nfs/dbraw/zinc/82/13/20/1034821320.db2.gz VIWSLCMCWMVAJE-HNNXBMFYSA-N 1 0 319.449 3.818 20 5 DHBDRO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000481756520 1034962167 /nfs/dbraw/zinc/96/21/67/1034962167.db2.gz NMVGVPINYXDSMP-GXFFZTMASA-N 1 0 302.296 3.758 20 5 DHBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)C ZINC000567810701 1034995317 /nfs/dbraw/zinc/99/53/17/1034995317.db2.gz DFLKZSYZPZINQR-UHFFFAOYSA-N 1 0 301.184 3.588 20 5 DHBDRO Cc1cc(Nc2ccc(C=C[N+](=O)[O-])cc2)c2ccccc2[nH+]1 ZINC001175900331 1035155093 /nfs/dbraw/zinc/15/50/93/1035155093.db2.gz PEXIMJSGNAXCKU-ZHACJKMWSA-N 1 0 305.337 3.956 20 5 DHBDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001175992294 1035176062 /nfs/dbraw/zinc/17/60/62/1035176062.db2.gz OLINDVSQNKEQQX-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1CCSCC1)C1CC1 ZINC000482944607 1035203642 /nfs/dbraw/zinc/20/36/42/1035203642.db2.gz GVYXJNKDSXXDIF-MRXNPFEDSA-N 1 0 320.458 3.649 20 5 DHBDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000483240990 1035243952 /nfs/dbraw/zinc/24/39/52/1035243952.db2.gz VEOMAXCWZVRABO-LBPRGKRZSA-N 1 0 317.389 3.994 20 5 DHBDRO COc1cc(C[N@H+](CC2CC2)CC2CCC2)c([N+](=O)[O-])cc1F ZINC000483267034 1035248929 /nfs/dbraw/zinc/24/89/29/1035248929.db2.gz LNEVPJFJYDRQCZ-UHFFFAOYSA-N 1 0 322.380 3.755 20 5 DHBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@]12CCC[C@H]1OCC2 ZINC001176991996 1035341289 /nfs/dbraw/zinc/34/12/89/1035341289.db2.gz WFXQIHOYIIUJJX-HZPDHXFCSA-N 1 0 324.808 3.639 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCc2nccs2)cc1[N+](=O)[O-] ZINC001177570291 1035382145 /nfs/dbraw/zinc/38/21/45/1035382145.db2.gz DUCNUOLBRJQVJH-UHFFFAOYSA-N 1 0 305.403 3.507 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]C/C=C/c2ccc(F)cc2F)c1 ZINC001178393031 1035424698 /nfs/dbraw/zinc/42/46/98/1035424698.db2.gz DZTASVGKKNQOBX-DUXPYHPUSA-N 1 0 318.323 3.719 20 5 DHBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC001179248782 1035471264 /nfs/dbraw/zinc/47/12/64/1035471264.db2.gz WTAMBEIZHIXYJR-KRWDZBQOSA-N 1 0 306.406 3.588 20 5 DHBDRO C[C@H]([NH2+]Cc1nccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001179578889 1035483645 /nfs/dbraw/zinc/48/36/45/1035483645.db2.gz BVMSZTYWLBZCMF-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC001179699523 1035491269 /nfs/dbraw/zinc/49/12/69/1035491269.db2.gz AHLHETOTXDUWRP-OAHLLOKOSA-N 1 0 318.417 3.793 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000494533780 1035536894 /nfs/dbraw/zinc/53/68/94/1035536894.db2.gz XHHIPQQAJONJQQ-JGGQBBKZSA-N 1 0 322.405 3.602 20 5 DHBDRO Cc1cc(NC[C@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000485400739 1035597926 /nfs/dbraw/zinc/59/79/26/1035597926.db2.gz CXOJRYALLZBUMM-NSHDSACASA-N 1 0 321.327 3.721 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037141577 1035611289 /nfs/dbraw/zinc/61/12/89/1035611289.db2.gz ZUYUHQOHFYFGDT-NWDGAFQWSA-N 1 0 302.296 3.806 20 5 DHBDRO COc1c(O)ccc(C[N@H+](CC(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC001180154561 1035614047 /nfs/dbraw/zinc/61/40/47/1035614047.db2.gz TXFOTLFUANNCNX-UHFFFAOYSA-N 1 0 322.405 3.710 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC(C)(C)CC[C@@H]1C ZINC001180310646 1035640792 /nfs/dbraw/zinc/64/07/92/1035640792.db2.gz NKZPHTJJKPDJPT-WFASDCNBSA-N 1 0 306.406 3.908 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000152735248 1035669564 /nfs/dbraw/zinc/66/95/64/1035669564.db2.gz PVKFZPCJKBXMDN-LBPRGKRZSA-N 1 0 318.348 3.983 20 5 DHBDRO CCOc1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC001204269714 1035682552 /nfs/dbraw/zinc/68/25/52/1035682552.db2.gz CGIPHSOUCMKJOY-UHFFFAOYSA-N 1 0 316.357 3.751 20 5 DHBDRO C[C@H]1[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000494631805 1035749092 /nfs/dbraw/zinc/74/90/92/1035749092.db2.gz CGYYPZQCGLBZSZ-GFCCVEGCSA-N 1 0 324.808 3.639 20 5 DHBDRO CCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC000089882932 1035766376 /nfs/dbraw/zinc/76/63/76/1035766376.db2.gz KMBGLADAJUMMDF-UHFFFAOYSA-N 1 0 315.373 3.872 20 5 DHBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907258 1035784498 /nfs/dbraw/zinc/78/44/98/1035784498.db2.gz WKVKEDDWHOLWGN-STQMWFEESA-N 1 0 315.373 3.870 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1(C2CC2)CC1 ZINC000539656881 1035812015 /nfs/dbraw/zinc/81/20/15/1035812015.db2.gz OHGFGUDWXXULEI-ZDUSSCGKSA-N 1 0 306.431 3.998 20 5 DHBDRO Cc1cc(C)cc(CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001181154116 1035852874 /nfs/dbraw/zinc/85/28/74/1035852874.db2.gz KNJNXWBMNCAGEO-UHFFFAOYSA-N 1 0 312.413 3.929 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000485707591 1035880467 /nfs/dbraw/zinc/88/04/67/1035880467.db2.gz KKLBEQVHBKYBSK-HUUCEWRRSA-N 1 0 304.390 3.758 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000539849011 1035900930 /nfs/dbraw/zinc/90/09/30/1035900930.db2.gz HNQOABOSYNHDBL-GOEBONIOSA-N 1 0 306.431 3.763 20 5 DHBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC001194384235 1035916221 /nfs/dbraw/zinc/91/62/21/1035916221.db2.gz JTECZFDDJRODNC-HUUCEWRRSA-N 1 0 324.808 3.638 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000595088905 1035920228 /nfs/dbraw/zinc/92/02/28/1035920228.db2.gz LQGXRPLTFZJYML-SJCJKPOMSA-N 1 0 312.369 3.947 20 5 DHBDRO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC001181463488 1035921291 /nfs/dbraw/zinc/92/12/91/1035921291.db2.gz BUGFHYNVQGGWHP-UHFFFAOYSA-N 1 0 319.792 3.522 20 5 DHBDRO COC[C@@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC001194478414 1035941808 /nfs/dbraw/zinc/94/18/08/1035941808.db2.gz VEUNVNARSUSKII-DLBZAZTESA-N 1 0 320.433 3.693 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)Cc1ccccc1C ZINC000485828323 1035982501 /nfs/dbraw/zinc/98/25/01/1035982501.db2.gz YFJDLGOAXPMKRQ-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC000540607316 1036114107 /nfs/dbraw/zinc/11/41/07/1036114107.db2.gz NDHOUCAESDWMAF-CABCVRRESA-N 1 0 320.433 3.743 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000495176965 1036311743 /nfs/dbraw/zinc/31/17/43/1036311743.db2.gz VFIRICBYZGYQMX-CQSZACIVSA-N 1 0 306.406 3.765 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(C4CCC4)CC3)nc2c1 ZINC000595659955 1036319061 /nfs/dbraw/zinc/31/90/61/1036319061.db2.gz OPHZELUXGUMPIC-UHFFFAOYSA-N 1 0 315.373 3.748 20 5 DHBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000774411865 1036322168 /nfs/dbraw/zinc/32/21/68/1036322168.db2.gz SKMUNWKGQSHNST-QZTJIDSGSA-N 1 0 314.385 3.615 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271637192 1036422910 /nfs/dbraw/zinc/42/29/10/1036422910.db2.gz ZICYHRYYMBTONC-VBQJREDUSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@H]([NH2+]Cc1scnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000486928437 1036465881 /nfs/dbraw/zinc/46/58/81/1036465881.db2.gz VHMWRLJEIHWOQV-JTQLQIEISA-N 1 0 303.387 3.780 20 5 DHBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000542092725 1036507600 /nfs/dbraw/zinc/50/76/00/1036507600.db2.gz PGVYAMLXUXGJGE-VXGBXAGGSA-N 1 0 320.414 3.572 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCCC(F)(F)C2)cs1 ZINC000491594562 1036610190 /nfs/dbraw/zinc/61/01/90/1036610190.db2.gz RJAHYUZDJONZPO-JTQLQIEISA-N 1 0 304.362 3.962 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000495402027 1036613178 /nfs/dbraw/zinc/61/31/78/1036613178.db2.gz PEDFQXYYQRWWIX-HUUCEWRRSA-N 1 0 314.385 3.755 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC000271902790 1036646307 /nfs/dbraw/zinc/64/63/07/1036646307.db2.gz VYYACGRXGPELGD-LRDDRELGSA-N 1 0 312.369 3.942 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000153499382 1036688535 /nfs/dbraw/zinc/68/85/35/1036688535.db2.gz MIOWCRBBMPTJIQ-IPYPFGDCSA-N 1 0 322.405 3.602 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CC=CC3)cs2)c1 ZINC000151941617 1036748725 /nfs/dbraw/zinc/74/87/25/1036748725.db2.gz QLFNCGXERKWHIN-UHFFFAOYSA-N 1 0 301.371 3.527 20 5 DHBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271961493 1036765911 /nfs/dbraw/zinc/76/59/11/1036765911.db2.gz DLYDBFAOMWHCIE-UKPHBRMFSA-N 1 0 306.406 3.839 20 5 DHBDRO CCOc1cc(C[N@H+](C)Cc2sccc2C)ccc1[N+](=O)[O-] ZINC000492374700 1036853100 /nfs/dbraw/zinc/85/31/00/1036853100.db2.gz HWJKRQCLNZAPTL-UHFFFAOYSA-N 1 0 320.414 3.995 20 5 DHBDRO CC(C)([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000492418660 1036862817 /nfs/dbraw/zinc/86/28/17/1036862817.db2.gz SFWCXDMOOGQCPH-UHFFFAOYSA-N 1 0 324.380 3.896 20 5 DHBDRO CCOc1cc(C[N@H+](C)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000492543261 1036912633 /nfs/dbraw/zinc/91/26/33/1036912633.db2.gz YSSGZAKEVCUYMJ-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO CC(C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001184831258 1036960358 /nfs/dbraw/zinc/96/03/58/1036960358.db2.gz UAQOBJWFBZTOCC-QGZVFWFLSA-N 1 0 323.412 3.902 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCSC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000488367669 1036986752 /nfs/dbraw/zinc/98/67/52/1036986752.db2.gz PRVRMAGXNDEDMJ-CYBMUJFWSA-N 1 0 308.447 3.903 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000081599212 1036989009 /nfs/dbraw/zinc/98/90/09/1036989009.db2.gz NCDYGDHKLQKWNT-LBPRGKRZSA-N 1 0 320.414 3.728 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSC[C@H](C)C1 ZINC000488403964 1036998321 /nfs/dbraw/zinc/99/83/21/1036998321.db2.gz ZEGFELISTUATOL-YLHGKKIISA-N 1 0 306.431 3.683 20 5 DHBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000488442289 1037010973 /nfs/dbraw/zinc/01/09/73/1037010973.db2.gz UBPYEJAJUCMJIM-UKRRQHHQSA-N 1 0 308.447 3.647 20 5 DHBDRO Cc1cc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC001185181004 1037058950 /nfs/dbraw/zinc/05/89/50/1037058950.db2.gz SHUNCQMLFWPUNC-UHFFFAOYSA-N 1 0 319.327 3.674 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](CC[C@H]2CCCCO2)C2CC2)c1 ZINC000347433050 1037195002 /nfs/dbraw/zinc/19/50/02/1037195002.db2.gz GJMVEDMJIVBBGT-QGZVFWFLSA-N 1 0 304.390 3.518 20 5 DHBDRO CCCC[C@@H](CC)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488983723 1037215188 /nfs/dbraw/zinc/21/51/88/1037215188.db2.gz OYERFLLPQYHUTB-CQSZACIVSA-N 1 0 308.426 3.645 20 5 DHBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000489072898 1037248994 /nfs/dbraw/zinc/24/89/94/1037248994.db2.gz KMONQWIWJUKFSV-CYBMUJFWSA-N 1 0 302.349 3.797 20 5 DHBDRO C[C@@H](Nc1ccsc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001186071116 1037302670 /nfs/dbraw/zinc/30/26/70/1037302670.db2.gz VMWJDWNEVSMWRH-VXGBXAGGSA-N 1 0 309.435 3.721 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000609234554 1037461214 /nfs/dbraw/zinc/46/12/14/1037461214.db2.gz UWFWGVCJHPHJSU-SFHVURJKSA-N 1 0 312.369 3.558 20 5 DHBDRO Nc1ccc2cc3ccc(Nc4ccc(N)nc4)cc3[nH+]c2c1 ZINC001201292431 1037590073 /nfs/dbraw/zinc/59/00/73/1037590073.db2.gz OECLMBMJDHTWOF-UHFFFAOYSA-N 1 0 301.353 3.691 20 5 DHBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc2[nH]ccc21 ZINC000494036102 1037626052 /nfs/dbraw/zinc/62/60/52/1037626052.db2.gz CRQXJQQLHXRMQT-UHFFFAOYSA-N 1 0 309.369 3.751 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc2ccoc21 ZINC001201633440 1037799764 /nfs/dbraw/zinc/79/97/64/1037799764.db2.gz JNQSUCALGRNMAK-UHFFFAOYSA-N 1 0 312.325 3.639 20 5 DHBDRO C[C@H](CCc1ccccc1)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001202228698 1038093729 /nfs/dbraw/zinc/09/37/29/1038093729.db2.gz WFKKBQVTBBJDID-MRXNPFEDSA-N 1 0 312.413 3.996 20 5 DHBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000164537397 1038204357 /nfs/dbraw/zinc/20/43/57/1038204357.db2.gz KRKJEKIYLICCJG-ZDUSSCGKSA-N 1 0 321.421 3.598 20 5 DHBDRO C[NH+](C)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000301200767 1038215978 /nfs/dbraw/zinc/21/59/78/1038215978.db2.gz QCQSHHRECXOVNL-UHFFFAOYSA-N 1 0 303.337 3.582 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001190528944 1038338461 /nfs/dbraw/zinc/33/84/61/1038338461.db2.gz OPQVZPHOLMXYSS-MSOLQXFVSA-N 1 0 318.417 3.763 20 5 DHBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCC1CCCCC1 ZINC001190707310 1038366463 /nfs/dbraw/zinc/36/64/63/1038366463.db2.gz GUHOCOOYUDNONB-UHFFFAOYSA-N 1 0 306.406 3.876 20 5 DHBDRO COCC(C)(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000588928836 1038407150 /nfs/dbraw/zinc/40/71/50/1038407150.db2.gz QEXMKGZJCMESBN-UHFFFAOYSA-N 1 0 314.813 3.791 20 5 DHBDRO C[N@@H+](C/C=C\c1ccc(F)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000572801974 1038502783 /nfs/dbraw/zinc/50/27/83/1038502783.db2.gz INQJPSKIJHBGGJ-PLNGDYQASA-N 1 0 314.360 3.922 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000590601874 1038673995 /nfs/dbraw/zinc/67/39/95/1038673995.db2.gz SHBPDMILCXDEBY-INIZCTEOSA-N 1 0 311.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CCSC(F)(F)F)C2CC2)cc1 ZINC001192929781 1038721770 /nfs/dbraw/zinc/72/17/70/1038721770.db2.gz QURHFPNLFXWIFV-UHFFFAOYSA-N 1 0 320.336 3.812 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CC[C@@H]2CC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000598680033 1038821592 /nfs/dbraw/zinc/82/15/92/1038821592.db2.gz RAIZOLWSSUPSBW-YGRLFVJLSA-N 1 0 310.344 3.952 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598679575 1038822041 /nfs/dbraw/zinc/82/20/41/1038822041.db2.gz JZJKGRNXESFINE-CMPLNLGQSA-N 1 0 314.332 3.689 20 5 DHBDRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000599071791 1039026784 /nfs/dbraw/zinc/02/67/84/1039026784.db2.gz SWLOXKIXIWBECJ-AWEZNQCLSA-N 1 0 313.401 3.927 20 5 DHBDRO C[C@@H]([NH2+]CC1COC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000599084106 1039034985 /nfs/dbraw/zinc/03/49/85/1039034985.db2.gz ZWNXOVOBRXEHTL-LLVKDONJSA-N 1 0 318.398 3.620 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593715690 1039103037 /nfs/dbraw/zinc/10/30/37/1039103037.db2.gz AYFUOIVPKKFOKH-GUYCJALGSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CC(F)F ZINC000592392181 1039174633 /nfs/dbraw/zinc/17/46/33/1039174633.db2.gz DXLIITGJFQMJIZ-NWDGAFQWSA-N 1 0 300.349 3.797 20 5 DHBDRO Cc1ccc(C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000603851725 1039187083 /nfs/dbraw/zinc/18/70/83/1039187083.db2.gz XNYYVAOUMGJSJC-UHFFFAOYSA-N 1 0 316.357 3.540 20 5 DHBDRO COc1ccc([C@@H](C)[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000603871975 1039204828 /nfs/dbraw/zinc/20/48/28/1039204828.db2.gz CQGLKHJLDFWNBL-CQSZACIVSA-N 1 0 314.385 3.839 20 5 DHBDRO Cc1ccc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000604011993 1039281373 /nfs/dbraw/zinc/28/13/73/1039281373.db2.gz BZAUZYOVGGMWMS-UHFFFAOYSA-N 1 0 314.385 3.804 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnn2CC(C)C)cc1[N+](=O)[O-] ZINC000592365265 1039376767 /nfs/dbraw/zinc/37/67/67/1039376767.db2.gz MWINANIJGOABNF-CQSZACIVSA-N 1 0 316.405 3.607 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000592380735 1039403456 /nfs/dbraw/zinc/40/34/56/1039403456.db2.gz QCWYMGRETHPOTF-FZMZJTMJSA-N 1 0 318.398 3.838 20 5 DHBDRO Cc1ccc(C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000604473322 1039480127 /nfs/dbraw/zinc/48/01/27/1039480127.db2.gz NRRJENANXUPZDL-UHFFFAOYSA-N 1 0 316.357 3.540 20 5 DHBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000058933492 1039633012 /nfs/dbraw/zinc/63/30/12/1039633012.db2.gz DHXXKDFLFSIYLO-UHFFFAOYSA-N 1 0 314.385 3.884 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000574741550 1039773979 /nfs/dbraw/zinc/77/39/79/1039773979.db2.gz SRUNWSJNDKMESR-MRRJBJDNSA-N 1 0 304.390 3.519 20 5 DHBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594498904 1039801041 /nfs/dbraw/zinc/80/10/41/1039801041.db2.gz NAUMAAFUBYRBAW-WBVHZDCISA-N 1 0 318.417 3.767 20 5 DHBDRO C[C@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CS1 ZINC000594504035 1039803718 /nfs/dbraw/zinc/80/37/18/1039803718.db2.gz FXLGLGFEMVLKNZ-GWCFXTLKSA-N 1 0 314.838 3.664 20 5 DHBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594516700 1039820944 /nfs/dbraw/zinc/82/09/44/1039820944.db2.gz DIDUNRZGPVTLJQ-XDXSGNAUSA-N 1 0 304.390 3.544 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000594521255 1039830486 /nfs/dbraw/zinc/83/04/86/1039830486.db2.gz SXWCHGMMVMEGJG-WBAXXEDZSA-N 1 0 317.433 3.571 20 5 DHBDRO COCc1csc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000594944435 1039956754 /nfs/dbraw/zinc/95/67/54/1039956754.db2.gz PYAWDISGVIYPJX-UHFFFAOYSA-N 1 0 320.414 3.828 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594955761 1039963638 /nfs/dbraw/zinc/96/36/38/1039963638.db2.gz DOOHHFMAKXTERK-CYBMUJFWSA-N 1 0 312.797 3.543 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CO1 ZINC000594964157 1039968248 /nfs/dbraw/zinc/96/82/48/1039968248.db2.gz OWWHFAQKNQXPNI-CYBMUJFWSA-N 1 0 316.357 3.512 20 5 DHBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CO1 ZINC000594964160 1039968779 /nfs/dbraw/zinc/96/87/79/1039968779.db2.gz OWWHFAQKNQXPNI-ZDUSSCGKSA-N 1 0 316.357 3.512 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000595018076 1039979982 /nfs/dbraw/zinc/97/99/82/1039979982.db2.gz PRSOFWOPOWZOBH-NWDGAFQWSA-N 1 0 320.414 3.947 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOC1CCCCC1 ZINC000595017338 1039981777 /nfs/dbraw/zinc/98/17/77/1039981777.db2.gz TYPJHQIZNHEBCZ-ZDUSSCGKSA-N 1 0 322.405 3.603 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000595024684 1039990870 /nfs/dbraw/zinc/99/08/70/1039990870.db2.gz CJPLAVQCTGEIDS-UHFFFAOYSA-N 1 0 312.360 3.595 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCc1cccs1 ZINC000595025359 1039993034 /nfs/dbraw/zinc/99/30/34/1039993034.db2.gz GQSYVFPLWOOSJU-LBPRGKRZSA-N 1 0 320.414 3.948 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cc1cccs1 ZINC000595003884 1040015481 /nfs/dbraw/zinc/01/54/81/1040015481.db2.gz MSAAOWAEDKXWTE-NEPJUHHUSA-N 1 0 320.414 3.947 20 5 DHBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000594044758 1040016831 /nfs/dbraw/zinc/01/68/31/1040016831.db2.gz RFOAVXGAWHHPKA-VIFPVBQESA-N 1 0 304.362 3.960 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595056861 1040022597 /nfs/dbraw/zinc/02/25/97/1040022597.db2.gz RWNJGGCBOYGVDZ-GDBMZVCRSA-N 1 0 305.422 3.508 20 5 DHBDRO CSCC1(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000595067649 1040032542 /nfs/dbraw/zinc/03/25/42/1040032542.db2.gz HRBGTJLDSYKMCO-AWEZNQCLSA-N 1 0 306.431 3.705 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CCC(F)CC1 ZINC000595048044 1040050951 /nfs/dbraw/zinc/05/09/51/1040050951.db2.gz WJWZHBWJMUOXOA-PNESKVBLSA-N 1 0 310.369 3.782 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1SC ZINC000595047016 1040051896 /nfs/dbraw/zinc/05/18/96/1040051896.db2.gz QCEDMSQPCUHDKU-SGIREYDYSA-N 1 0 324.446 3.928 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000595051922 1040055228 /nfs/dbraw/zinc/05/52/28/1040055228.db2.gz XHWOETDNCKTBFA-CZUORRHYSA-N 1 0 304.390 3.519 20 5 DHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCC3(CC3)CC2)n1 ZINC000574897122 1040056621 /nfs/dbraw/zinc/05/66/21/1040056621.db2.gz MPZWTGPAMJVLJC-HUUCEWRRSA-N 1 0 318.421 3.587 20 5 DHBDRO C[C@@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(F)F ZINC000595078537 1040073178 /nfs/dbraw/zinc/07/31/78/1040073178.db2.gz DSABELUCFOJKAD-HIFRSBDPSA-N 1 0 310.344 3.551 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000595088907 1040075854 /nfs/dbraw/zinc/07/58/54/1040075854.db2.gz LQGXRPLTFZJYML-YVEFUNNKSA-N 1 0 312.369 3.947 20 5 DHBDRO Cc1noc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595324890 1040108621 /nfs/dbraw/zinc/10/86/21/1040108621.db2.gz CRBJREOPFBZFGH-SWLSCSKDSA-N 1 0 315.373 3.517 20 5 DHBDRO Cc1noc(C[N@H+]2CC[C@H](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595438911 1040138933 /nfs/dbraw/zinc/13/89/33/1040138933.db2.gz JYTYDWCWDOIFNO-LBPRGKRZSA-N 1 0 307.394 3.684 20 5 DHBDRO Cc1noc(C[N@H+]2C[C@@H](c3ccc(C)cc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000595479627 1040150334 /nfs/dbraw/zinc/15/03/34/1040150334.db2.gz GAVFXZPOIFXNLC-DOMZBBRYSA-N 1 0 315.373 3.578 20 5 DHBDRO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000595491303 1040152697 /nfs/dbraw/zinc/15/26/97/1040152697.db2.gz VFCYZBJMPSCCMI-CQSZACIVSA-N 1 0 310.369 3.513 20 5 DHBDRO C[N@H+](CCCNc1ccsc1[N+](=O)[O-])Cc1ccccc1 ZINC000063256518 1040164331 /nfs/dbraw/zinc/16/43/31/1040164331.db2.gz WRSMWHQCHLAXII-UHFFFAOYSA-N 1 0 305.403 3.590 20 5 DHBDRO C[C@@H](CNc1ccsc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000063258157 1040164584 /nfs/dbraw/zinc/16/45/84/1040164584.db2.gz JCXFFELDHRJCPT-LBPRGKRZSA-N 1 0 317.414 3.515 20 5 DHBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595543365 1040171486 /nfs/dbraw/zinc/17/14/86/1040171486.db2.gz YOKPNSVFNCLZJW-CYBMUJFWSA-N 1 0 317.364 3.630 20 5 DHBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595638663 1040199301 /nfs/dbraw/zinc/19/93/01/1040199301.db2.gz KDFXVOGOTBGPCQ-NSHDSACASA-N 1 0 318.377 3.559 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595787540 1040255192 /nfs/dbraw/zinc/25/51/92/1040255192.db2.gz JRLNHUMXEHCXGW-RDTXWAMCSA-N 1 0 318.417 3.937 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595907332 1040273067 /nfs/dbraw/zinc/27/30/67/1040273067.db2.gz AQVDJPFWLKTXNF-OLMNPRSZSA-N 1 0 316.401 3.548 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCCN(c3[nH+]ccc4[nH]ccc43)C2)cc1 ZINC000596254702 1040359766 /nfs/dbraw/zinc/35/97/66/1040359766.db2.gz MGOYRUMQIXYYSW-AWEZNQCLSA-N 1 0 322.368 3.855 20 5 DHBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])s2)[NH+]2CCCC2)o1 ZINC000608779062 1040611054 /nfs/dbraw/zinc/61/10/54/1040611054.db2.gz CHDCQOFWGGPCBF-GFCCVEGCSA-N 1 0 321.402 3.807 20 5 DHBDRO CCC[NH+](CCC)CCCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000609029459 1040663473 /nfs/dbraw/zinc/66/34/73/1040663473.db2.gz QNXWXVGBAKFLPS-UHFFFAOYSA-N 1 0 321.421 3.744 20 5 DHBDRO Cc1ccc(C[NH+]2CCC(c3ccco3)CC2)cc1[N+](=O)[O-] ZINC000597180720 1040681906 /nfs/dbraw/zinc/68/19/06/1040681906.db2.gz SNNHGOQGYFFLIC-UHFFFAOYSA-N 1 0 300.358 3.876 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000534331859 1040805657 /nfs/dbraw/zinc/80/56/57/1040805657.db2.gz AZGVTRZSXPUFEC-KRZKXXONSA-N 1 0 309.369 3.840 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594517914 1040882798 /nfs/dbraw/zinc/88/27/98/1040882798.db2.gz DADNVDKZQRKPBK-USXIJHARSA-N 1 0 317.433 3.571 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000491230652 1040971404 /nfs/dbraw/zinc/97/14/04/1040971404.db2.gz YLYPFSOFYIWUFO-ZDUSSCGKSA-N 1 0 318.323 3.863 20 5 DHBDRO CS[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000602606056 1041123871 /nfs/dbraw/zinc/12/38/71/1041123871.db2.gz AJHBBEADNPYDSY-CYBMUJFWSA-N 1 0 323.418 3.603 20 5 DHBDRO Cc1ncc([C@H](C)[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000602609741 1041124777 /nfs/dbraw/zinc/12/47/77/1041124777.db2.gz FQNWERAXCJHHFD-LBPRGKRZSA-N 1 0 314.389 3.588 20 5 DHBDRO CC[C@](C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000602674135 1041141764 /nfs/dbraw/zinc/14/17/64/1041141764.db2.gz FGNOBZGWDVMNBW-CYBMUJFWSA-N 1 0 320.311 3.518 20 5 DHBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602703978 1041169357 /nfs/dbraw/zinc/16/93/57/1041169357.db2.gz UUDBGPAJDRJSMV-GZMMTYOYSA-N 1 0 320.336 3.597 20 5 DHBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602703981 1041170098 /nfs/dbraw/zinc/17/00/98/1041170098.db2.gz UUDBGPAJDRJSMV-LDYMZIIASA-N 1 0 320.336 3.597 20 5 DHBDRO Cc1nn(CN(C)Cc2ccc(C)cc2)c2cc([N+](=O)[O-])ccc12 ZINC000761275092 1041174880 /nfs/dbraw/zinc/17/48/80/1041174880.db2.gz RZRQOEHPMCTIHT-UHFFFAOYSA-N 1 0 324.384 3.651 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C)([NH+]2CCCC2)CC1 ZINC000602952265 1041325832 /nfs/dbraw/zinc/32/58/32/1041325832.db2.gz TZMBAAWVPXHIBA-OAHLLOKOSA-N 1 0 317.433 3.606 20 5 DHBDRO CCOCCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000090457032 185297571 /nfs/dbraw/zinc/29/75/71/185297571.db2.gz FEWKYDORZYAKHS-AWEZNQCLSA-N 1 0 306.406 3.842 20 5 DHBDRO CC(C)(C)OC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092454090 185319757 /nfs/dbraw/zinc/31/97/57/185319757.db2.gz FFRQHEXXWKNPQU-SOFGYWHQSA-N 1 0 318.417 3.888 20 5 DHBDRO Cc1nc(C)c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000040518621 183090461 /nfs/dbraw/zinc/09/04/61/183090461.db2.gz YQOBOCLWZUJHJJ-JTQLQIEISA-N 1 0 305.403 3.561 20 5 DHBDRO C[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104661274 194022812 /nfs/dbraw/zinc/02/28/12/194022812.db2.gz KMYSCWHONTVEED-ZDUSSCGKSA-N 1 0 315.373 3.524 20 5 DHBDRO COCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272518818 130037603 /nfs/dbraw/zinc/03/76/03/130037603.db2.gz HLLGEQIYJSYUJT-ZFWWWQNUSA-N 1 0 318.373 3.925 20 5 DHBDRO C[C@H]1C[C@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000273069105 130087302 /nfs/dbraw/zinc/08/73/02/130087302.db2.gz OAHLFCOPQHKUOH-NWDGAFQWSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC[C@H]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000273271337 130102810 /nfs/dbraw/zinc/10/28/10/130102810.db2.gz OOSOBCRKESWDMJ-QEJZJMRPSA-N 1 0 306.406 3.759 20 5 DHBDRO CO[C@]1(C)CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000280497700 130804398 /nfs/dbraw/zinc/80/43/98/130804398.db2.gz MRWAAGZRCPRZKP-RHSMWYFYSA-N 1 0 306.406 3.855 20 5 DHBDRO COc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c1 ZINC000283148415 130964406 /nfs/dbraw/zinc/96/44/06/130964406.db2.gz OJOBXZWXQJUCMD-UHFFFAOYSA-N 1 0 316.332 3.521 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000284763716 131109754 /nfs/dbraw/zinc/10/97/54/131109754.db2.gz MKXVZBBYAJCFDJ-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000286930985 131256917 /nfs/dbraw/zinc/25/69/17/131256917.db2.gz GGOZJYHSXFREMB-QWHCGFSZSA-N 1 0 324.446 3.787 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000297893083 132039091 /nfs/dbraw/zinc/03/90/91/132039091.db2.gz VQWZRNWIPZPLQJ-ZDUSSCGKSA-N 1 0 306.387 3.906 20 5 DHBDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000120081877 132138998 /nfs/dbraw/zinc/13/89/98/132138998.db2.gz UBOGBKVBBBFQPK-AWEZNQCLSA-N 1 0 314.385 3.714 20 5 DHBDRO COc1ccc(C)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000318492980 332883914 /nfs/dbraw/zinc/88/39/14/332883914.db2.gz IHESNYBYQXLSSU-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO COC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000533581181 331594089 /nfs/dbraw/zinc/59/40/89/331594089.db2.gz SMFNDOORMKMOML-XIRDDKMYSA-N 1 0 320.433 3.567 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000128924333 332015714 /nfs/dbraw/zinc/01/57/14/332015714.db2.gz QJJDFZBDJBRXJK-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO COc1cc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000559352906 332089436 /nfs/dbraw/zinc/08/94/36/332089436.db2.gz XMDBVVUBDFZQSP-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000448023577 332189382 /nfs/dbraw/zinc/18/93/82/332189382.db2.gz UEWVSEGDYZRBJK-WMLDXEAASA-N 1 0 319.449 3.674 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000584292312 332220699 /nfs/dbraw/zinc/22/06/99/332220699.db2.gz GFXYTLHLCIRJOF-HNRFISLBSA-N 1 0 316.401 3.642 20 5 DHBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000559842193 332284531 /nfs/dbraw/zinc/28/45/31/332284531.db2.gz RHJZSIRKVDSYNU-TZMCWYRMSA-N 1 0 316.405 3.920 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1NCc1cn2ccccc2n1 ZINC000046229426 332300294 /nfs/dbraw/zinc/30/02/94/332300294.db2.gz WMFSYSCLBFUZKZ-UHFFFAOYSA-N 1 0 302.721 3.508 20 5 DHBDRO CCC[C@@H](CCO)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000323184197 332388948 /nfs/dbraw/zinc/38/89/48/332388948.db2.gz FTRIOKHLXCEBRK-ZDUSSCGKSA-N 1 0 317.389 3.662 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCCSC3)o2)c1 ZINC000561527884 332459388 /nfs/dbraw/zinc/45/93/88/332459388.db2.gz YBHHEDGUTLDDKZ-CYBMUJFWSA-N 1 0 318.398 3.840 20 5 DHBDRO CC[C@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000466445794 333021077 /nfs/dbraw/zinc/02/10/77/333021077.db2.gz JYHLMSUUMPDCPT-FZMZJTMJSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1ccc([C@@H](C)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000314066643 333085219 /nfs/dbraw/zinc/08/52/19/333085219.db2.gz RZRXVQJFGCBXJL-OAHLLOKOSA-N 1 0 307.438 3.673 20 5 DHBDRO CO[C@](C)(C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000462911503 333130599 /nfs/dbraw/zinc/13/05/99/333130599.db2.gz NQGXPZWNTFKWKW-QGZVFWFLSA-N 1 0 306.406 3.623 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000314521318 333137826 /nfs/dbraw/zinc/13/78/26/333137826.db2.gz QXCADWVIACMDOV-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@H]1c1ccccc1 ZINC000582132216 333152515 /nfs/dbraw/zinc/15/25/15/333152515.db2.gz FBEUMJFXZXEQSH-LNLFQRSKSA-N 1 0 324.380 3.702 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCc1nccs1 ZINC000182929990 333181535 /nfs/dbraw/zinc/18/15/35/333181535.db2.gz AXVIFQHKYUZQHB-LBPRGKRZSA-N 1 0 305.403 3.595 20 5 DHBDRO C[C@H]([NH2+]CCCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000390095451 333225029 /nfs/dbraw/zinc/22/50/29/333225029.db2.gz LXUSVDXDYANXOZ-HNNXBMFYSA-N 1 0 314.385 3.852 20 5 DHBDRO CCC[C@@H](NCC[N@H+](C)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000318973223 333236030 /nfs/dbraw/zinc/23/60/30/333236030.db2.gz HPVAHOMGTDKASN-WMLDXEAASA-N 1 0 307.438 3.756 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000390353158 333271083 /nfs/dbraw/zinc/27/10/83/333271083.db2.gz PFHHEUSKCNYJMM-UONOGXRCSA-N 1 0 314.385 3.972 20 5 DHBDRO CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000497814747 333295853 /nfs/dbraw/zinc/29/58/53/333295853.db2.gz ZGOSBVRNIGAXPJ-KRWDZBQOSA-N 1 0 317.364 3.658 20 5 DHBDRO CCC[C@H]([NH2+]Cc1ccc(OC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000120649129 333304000 /nfs/dbraw/zinc/30/40/00/333304000.db2.gz RTEOIVSULRGVBD-INIZCTEOSA-N 1 0 315.373 3.629 20 5 DHBDRO CCC[C@@H](NC1CC[NH+](CCC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120711231 333307000 /nfs/dbraw/zinc/30/70/00/333307000.db2.gz WNNQFETVTZDAGJ-GOSISDBHSA-N 1 0 319.449 3.900 20 5 DHBDRO COc1ccc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000525787624 333313686 /nfs/dbraw/zinc/31/36/86/333313686.db2.gz FUWIRZNOSSYMKD-YUELXQCFSA-N 1 0 304.390 3.756 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(C(F)F)cc2)cc1 ZINC000388572218 333358069 /nfs/dbraw/zinc/35/80/69/333358069.db2.gz CZILFYZVVZDMSY-UHFFFAOYSA-N 1 0 306.312 3.865 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000186725670 333377503 /nfs/dbraw/zinc/37/75/03/333377503.db2.gz YECWQUBMYQAEJV-VXGBXAGGSA-N 1 0 305.403 3.814 20 5 DHBDRO CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000058581378 333422381 /nfs/dbraw/zinc/42/23/81/333422381.db2.gz GOCMVFHHKCRPSB-UHFFFAOYSA-N 1 0 311.813 3.781 20 5 DHBDRO CCC[C@H]([NH2+]CCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000320776511 335139545 /nfs/dbraw/zinc/13/95/45/335139545.db2.gz ZENFDMXOKCHBQI-KRWDZBQOSA-N 1 0 306.406 3.842 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000343349990 335153104 /nfs/dbraw/zinc/15/31/04/335153104.db2.gz PWIRZQOWPBZLKN-OAHLLOKOSA-N 1 0 321.352 3.822 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000414089766 333894395 /nfs/dbraw/zinc/89/43/95/333894395.db2.gz CRKAWUVCTXEEFY-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000414197421 333912606 /nfs/dbraw/zinc/91/26/06/333912606.db2.gz VSLRSALSJQBNMK-UHOFOFEASA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)OCC1CC1 ZINC000414275527 333932135 /nfs/dbraw/zinc/93/21/35/333932135.db2.gz UEIYUWUUUWUOEP-CQSZACIVSA-N 1 0 320.433 3.711 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000271483680 334023943 /nfs/dbraw/zinc/02/39/43/334023943.db2.gz KQYYZEXYRDOCNA-AWEZNQCLSA-N 1 0 313.401 3.820 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC000276489950 334079879 /nfs/dbraw/zinc/07/98/79/334079879.db2.gz HMUYPYBANIUQBS-CYBMUJFWSA-N 1 0 316.405 3.574 20 5 DHBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279321294 334107747 /nfs/dbraw/zinc/10/77/47/334107747.db2.gz SJFCKGJJEBRTRQ-IAQYHMDHSA-N 1 0 301.346 3.528 20 5 DHBDRO CC(C)c1ccc([C@@H]([NH3+])CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000414850441 334123291 /nfs/dbraw/zinc/12/32/91/334123291.db2.gz SGJQRZINQHYHSE-HNNXBMFYSA-N 1 0 319.430 3.569 20 5 DHBDRO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285327904 334146846 /nfs/dbraw/zinc/14/68/46/334146846.db2.gz UDNUTXRZFVEYDV-NSHDSACASA-N 1 0 315.348 3.656 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000467435688 334158134 /nfs/dbraw/zinc/15/81/34/334158134.db2.gz ZEIQEBAGNLZMNX-GOEBONIOSA-N 1 0 320.433 3.743 20 5 DHBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414920221 334180380 /nfs/dbraw/zinc/18/03/80/334180380.db2.gz XEXICLFIAWOLNV-UKTKYZJWSA-N 1 0 323.396 3.857 20 5 DHBDRO Cc1cc(N)cc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000414972360 334220176 /nfs/dbraw/zinc/22/01/76/334220176.db2.gz XSDLBNBZXHOCJN-CQSZACIVSA-N 1 0 313.401 3.596 20 5 DHBDRO COc1ccc(C)cc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000531944903 334300439 /nfs/dbraw/zinc/30/04/39/334300439.db2.gz CCADGXANXUUBTJ-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO CCC(CC)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccs1 ZINC000341599275 334460473 /nfs/dbraw/zinc/46/04/73/334460473.db2.gz UHWBQPPZHRWYFK-CQSZACIVSA-N 1 0 322.434 3.657 20 5 DHBDRO COCCC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417306735 334704512 /nfs/dbraw/zinc/70/45/12/334704512.db2.gz DUCFAJVTJQRQDU-QGZVFWFLSA-N 1 0 318.417 3.769 20 5 DHBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417377068 334765492 /nfs/dbraw/zinc/76/54/92/334765492.db2.gz RPPJLKLEHUESKY-SRCQZFHVSA-N 1 0 304.390 3.519 20 5 DHBDRO COC1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417377136 334765540 /nfs/dbraw/zinc/76/55/40/334765540.db2.gz RUGSGDRNXIHGKW-PVARCSIZSA-N 1 0 318.417 3.910 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417401267 334862593 /nfs/dbraw/zinc/86/25/93/334862593.db2.gz LGUXIYFBEIHZJG-ZWKOTPCHSA-N 1 0 312.369 3.907 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccncc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188769134 334872044 /nfs/dbraw/zinc/87/20/44/334872044.db2.gz WOGWSSIFOGGNLC-BLLLJJGKSA-N 1 0 315.373 3.800 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc(C)s1 ZINC000344832645 335278770 /nfs/dbraw/zinc/27/87/70/335278770.db2.gz SMYRXOKSFPUBTH-IZZDOVSWSA-N 1 0 303.387 3.553 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3C3CC3)co2)cc1 ZINC000366893983 335315019 /nfs/dbraw/zinc/31/50/19/335315019.db2.gz DFHXPHMSGGIQBO-MRXNPFEDSA-N 1 0 313.357 3.624 20 5 DHBDRO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532247808 335926246 /nfs/dbraw/zinc/92/62/46/335926246.db2.gz FRERGSUUPCEULG-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cs1 ZINC000480466067 336020410 /nfs/dbraw/zinc/02/04/10/336020410.db2.gz YCNMDSGHCIVENX-ZDUSSCGKSA-N 1 0 310.419 3.628 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000194375026 338516563 /nfs/dbraw/zinc/51/65/63/338516563.db2.gz BVRJPWJJJPYFMF-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO Cc1ccc([C@@H](CNc2cccc(F)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000301078842 336288768 /nfs/dbraw/zinc/28/87/68/336288768.db2.gz HJWCJYQIQAKWQU-MRXNPFEDSA-N 1 0 317.364 3.757 20 5 DHBDRO Cc1ccc([C@@H](CNc2ccccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000301137073 336291748 /nfs/dbraw/zinc/29/17/48/336291748.db2.gz BGWWFIDJUPQREO-MRXNPFEDSA-N 1 0 315.373 3.745 20 5 DHBDRO O=[N+]([O-])c1cccnc1Nc1cccc(Oc2ccncc2)c1 ZINC000301227708 336295654 /nfs/dbraw/zinc/29/56/54/336295654.db2.gz HAEVRDPSCGXUIZ-UHFFFAOYSA-N 1 0 308.297 3.921 20 5 DHBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000301480392 336309464 /nfs/dbraw/zinc/30/94/64/336309464.db2.gz ROONMQZUFSCAFN-UHFFFAOYSA-N 1 0 303.406 3.804 20 5 DHBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301755718 336327941 /nfs/dbraw/zinc/32/79/41/336327941.db2.gz DGRYSSOVDZJEKK-ZDUSSCGKSA-N 1 0 309.385 3.514 20 5 DHBDRO CC(C)(C)Oc1cc(NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000301848673 336333901 /nfs/dbraw/zinc/33/39/01/336333901.db2.gz ABQSOOMQWHOGIH-UHFFFAOYSA-N 1 0 321.421 3.670 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000302020522 336343508 /nfs/dbraw/zinc/34/35/08/336343508.db2.gz NQGUAAWUNZOUFO-UONOGXRCSA-N 1 0 323.462 3.747 20 5 DHBDRO Cc1cc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000302058276 336346134 /nfs/dbraw/zinc/34/61/34/336346134.db2.gz RMHVQGVPKOCZMR-GJZGRUSLSA-N 1 0 317.433 3.968 20 5 DHBDRO Cc1cc(N2CCSC(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302099259 336348515 /nfs/dbraw/zinc/34/85/15/336348515.db2.gz UKKLOBCLXBCMCD-UHFFFAOYSA-N 1 0 317.414 3.783 20 5 DHBDRO Cc1cc(NC[C@@H]2CCC(C)(C)O2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302378988 336357864 /nfs/dbraw/zinc/35/78/64/336357864.db2.gz GGHQYBKFGHJWLY-ZDUSSCGKSA-N 1 0 315.373 3.821 20 5 DHBDRO Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302824081 336370810 /nfs/dbraw/zinc/37/08/10/336370810.db2.gz LMHXOIKUNXEMFB-SJLPKXTDSA-N 1 0 311.385 3.761 20 5 DHBDRO Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302824080 336370838 /nfs/dbraw/zinc/37/08/38/336370838.db2.gz LMHXOIKUNXEMFB-FUHWJXTLSA-N 1 0 311.385 3.761 20 5 DHBDRO C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000320902649 336384249 /nfs/dbraw/zinc/38/42/49/336384249.db2.gz ZWJUVKCGXBSNIP-RKVPGOIHSA-N 1 0 319.449 3.756 20 5 DHBDRO Cc1noc(C)c1C(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353114367 336402971 /nfs/dbraw/zinc/40/29/71/336402971.db2.gz VYBBMDZWDSOVSO-CLFYSBASSA-N 1 0 315.373 3.738 20 5 DHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1 ZINC000353668491 336433364 /nfs/dbraw/zinc/43/33/64/336433364.db2.gz GODOUZPGDPCTID-OAHLLOKOSA-N 1 0 316.401 3.794 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1COCc2ccccc21 ZINC000418109047 336578230 /nfs/dbraw/zinc/57/82/30/336578230.db2.gz SLROWLSTMCVPBC-BZPDREMPSA-N 1 0 324.380 3.859 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000359043541 336654913 /nfs/dbraw/zinc/65/49/13/336654913.db2.gz DMFDNPAGQPMERY-GDBMZVCRSA-N 1 0 308.422 3.823 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000359043544 336655021 /nfs/dbraw/zinc/65/50/21/336655021.db2.gz DMFDNPAGQPMERY-ZBFHGGJFSA-N 1 0 308.422 3.823 20 5 DHBDRO Cc1ccc(C[NH2+]CC2(c3ccccn3)CCC2)cc1[N+](=O)[O-] ZINC000368602342 336848943 /nfs/dbraw/zinc/84/89/43/336848943.db2.gz JPMBQVTVMYZSQL-UHFFFAOYSA-N 1 0 311.385 3.510 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000377785437 337061084 /nfs/dbraw/zinc/06/10/84/337061084.db2.gz UBXUKJOKPKYHNU-MSOLQXFVSA-N 1 0 312.369 3.605 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000582634971 337116551 /nfs/dbraw/zinc/11/65/51/337116551.db2.gz NSCWIVYEDKMSFP-QZFKAFNDSA-N 1 0 319.449 3.708 20 5 DHBDRO Cc1cccc2c1OC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000514665702 337143941 /nfs/dbraw/zinc/14/39/41/337143941.db2.gz KXZGPXIYKLUSIK-HFTQHKIXSA-N 1 0 324.380 3.510 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000514669659 337151573 /nfs/dbraw/zinc/15/15/73/337151573.db2.gz BAACLPXHTLUFST-KDOFPFPSSA-N 1 0 312.369 3.809 20 5 DHBDRO Cc1ncsc1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179241183 337168413 /nfs/dbraw/zinc/16/84/13/337168413.db2.gz IBTMSOPVRGRYCF-UHFFFAOYSA-N 1 0 317.414 3.567 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000182660508 337189312 /nfs/dbraw/zinc/18/93/12/337189312.db2.gz GYNVNNDTFWGLKL-HNNXBMFYSA-N 1 0 317.433 3.524 20 5 DHBDRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000186441572 337256131 /nfs/dbraw/zinc/25/61/31/337256131.db2.gz SXNHLVXJRACCTN-LJQANCHMSA-N 1 0 324.380 3.535 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1[N+](=O)[O-] ZINC000191655456 337298371 /nfs/dbraw/zinc/29/83/71/337298371.db2.gz SGIJXIBWRWVAMB-MRXNPFEDSA-N 1 0 312.369 3.776 20 5 DHBDRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584665330 337380023 /nfs/dbraw/zinc/38/00/23/337380023.db2.gz IUBXEMXSEFNGMA-IAQYHMDHSA-N 1 0 302.399 3.864 20 5 DHBDRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584665331 337380035 /nfs/dbraw/zinc/38/00/35/337380035.db2.gz IUBXEMXSEFNGMA-NHYWBVRUSA-N 1 0 302.399 3.864 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000251927075 337586288 /nfs/dbraw/zinc/58/62/88/337586288.db2.gz STVJMESKOQTPDK-MWDXBVQZSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000252801579 337593004 /nfs/dbraw/zinc/59/30/04/337593004.db2.gz COTVZUOYTMSRSV-WBQNTZJQSA-N 1 0 316.401 3.593 20 5 DHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429683101 337630456 /nfs/dbraw/zinc/63/04/56/337630456.db2.gz INMHHSYETVMPBI-ZFWWWQNUSA-N 1 0 312.410 3.888 20 5 DHBDRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000421863984 337656362 /nfs/dbraw/zinc/65/63/62/337656362.db2.gz XFNGQHOBTUGXOX-SUYBPPKGSA-N 1 0 318.417 3.864 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)COCC(F)(F)F ZINC000536883840 337844332 /nfs/dbraw/zinc/84/43/32/337844332.db2.gz ZITCIXKJKPGOLX-GHMZBOCLSA-N 1 0 320.311 3.521 20 5 DHBDRO CCOCc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119551764 337861299 /nfs/dbraw/zinc/86/12/99/337861299.db2.gz VTWUFBXJYYASRU-AWEZNQCLSA-N 1 0 314.385 3.982 20 5 DHBDRO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000122133936 337908480 /nfs/dbraw/zinc/90/84/80/337908480.db2.gz YUKXDJGXNKEBDC-ZDUSSCGKSA-N 1 0 309.369 3.969 20 5 DHBDRO CC1(C)CC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000516086991 338004377 /nfs/dbraw/zinc/00/43/77/338004377.db2.gz YJUYGDQOJFPZEQ-OAHLLOKOSA-N 1 0 315.373 3.571 20 5 DHBDRO C[C@@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000516313843 338009571 /nfs/dbraw/zinc/00/95/71/338009571.db2.gz XQVLQALWYRJSMG-FUHWJXTLSA-N 1 0 318.417 3.503 20 5 DHBDRO CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000429259228 338075050 /nfs/dbraw/zinc/07/50/50/338075050.db2.gz SNZJIQPPXJKYRP-UHFFFAOYSA-N 1 0 318.348 3.638 20 5 DHBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000429259760 338075128 /nfs/dbraw/zinc/07/51/28/338075128.db2.gz YRWCFANUBNKQHI-UHFFFAOYSA-N 1 0 302.349 3.801 20 5 DHBDRO CSC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000429293180 338076671 /nfs/dbraw/zinc/07/66/71/338076671.db2.gz JNTVQVFWHWPRQL-NSHDSACASA-N 1 0 314.838 3.823 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000429414436 338080175 /nfs/dbraw/zinc/08/01/75/338080175.db2.gz XZBVZMOKQJLFNR-MLGOLLRUSA-N 1 0 304.390 3.977 20 5 DHBDRO CC[C@@H]1CC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000430196979 338100909 /nfs/dbraw/zinc/10/09/09/338100909.db2.gz SZCVDTZOYZEABT-GFCCVEGCSA-N 1 0 316.357 3.848 20 5 DHBDRO Cc1cc([N+](=O)[O-])cnc1SCC[N@@H+](C)Cc1ccccc1 ZINC000432930741 338173907 /nfs/dbraw/zinc/17/39/07/338173907.db2.gz ZTAMKAKFQXOOQE-UHFFFAOYSA-N 1 0 317.414 3.522 20 5 DHBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccccc3[N+](=O)[O-])cccc21 ZINC000432936053 338174253 /nfs/dbraw/zinc/17/42/53/338174253.db2.gz CDDQKBBHIUYWPM-OAHLLOKOSA-N 1 0 313.357 3.724 20 5 DHBDRO CC[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000433058109 338179135 /nfs/dbraw/zinc/17/91/35/338179135.db2.gz OTOJVCCUHDRSEN-MRXNPFEDSA-N 1 0 318.417 3.578 20 5 DHBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433076967 338180656 /nfs/dbraw/zinc/18/06/56/338180656.db2.gz PTRJZYDMYMPQKW-BRWVUGGUSA-N 1 0 318.417 3.864 20 5 DHBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433115114 338182206 /nfs/dbraw/zinc/18/22/06/338182206.db2.gz HRDCGROEKXPNDV-SJORKVTESA-N 1 0 320.433 3.704 20 5 DHBDRO CC[N@H+](CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000433160457 338183529 /nfs/dbraw/zinc/18/35/29/338183529.db2.gz ONYMCWNCHHJHSQ-QGZVFWFLSA-N 1 0 319.449 3.637 20 5 DHBDRO CCC[C@H](CCO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433286583 338189392 /nfs/dbraw/zinc/18/93/92/338189392.db2.gz VDPDHUVRXLGTOT-CXAGYDPISA-N 1 0 320.433 3.706 20 5 DHBDRO CC1(C)CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCS1 ZINC000434681355 338223139 /nfs/dbraw/zinc/22/31/39/338223139.db2.gz NLMFYLIAQFANGP-UHFFFAOYSA-N 1 0 314.838 3.966 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000438482108 338345439 /nfs/dbraw/zinc/34/54/39/338345439.db2.gz KCZQJVVEPHBWTN-GFCCVEGCSA-N 1 0 304.312 3.970 20 5 DHBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000439127824 338361811 /nfs/dbraw/zinc/36/18/11/338361811.db2.gz LFZZKPRNANRYLU-SJCJKPOMSA-N 1 0 317.364 3.837 20 5 DHBDRO C[C@@H](c1ccco1)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000440899745 338399616 /nfs/dbraw/zinc/39/96/16/338399616.db2.gz UMLUTYAQSUTYFA-ZDUSSCGKSA-N 1 0 316.357 3.792 20 5 DHBDRO COc1ccc(OCC[NH+](CC(C)C)CC(C)C)c([N+](=O)[O-])c1 ZINC000441181875 338404593 /nfs/dbraw/zinc/40/45/93/338404593.db2.gz ZEZXGQWSFRGBMA-UHFFFAOYSA-N 1 0 324.421 3.596 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000442879366 338437707 /nfs/dbraw/zinc/43/77/07/338437707.db2.gz JBTCJLONGHNAFC-CYBMUJFWSA-N 1 0 306.406 3.854 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC(c3ccc(F)cc3)C2)cc1 ZINC000194415690 338526261 /nfs/dbraw/zinc/52/62/61/338526261.db2.gz YDENDSNLKIBKTR-UHFFFAOYSA-N 1 0 314.360 3.812 20 5 DHBDRO CCCCOCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447518175 338553571 /nfs/dbraw/zinc/55/35/71/338553571.db2.gz VJWNKYXKEBBLJL-QGZVFWFLSA-N 1 0 306.406 3.769 20 5 DHBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCC2CCCC2)n1 ZINC000447531935 338554588 /nfs/dbraw/zinc/55/45/88/338554588.db2.gz RJZFOPWCZSWNFZ-CVEARBPZSA-N 1 0 320.437 3.835 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)Oc1ccccc1 ZINC000449156141 338597638 /nfs/dbraw/zinc/59/76/38/338597638.db2.gz NOAVPWIVXONUMQ-GJZGRUSLSA-N 1 0 314.385 3.583 20 5 DHBDRO COCC(C)(C)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449332072 338614031 /nfs/dbraw/zinc/61/40/31/338614031.db2.gz PWWDCYMTBJHNSO-AWEZNQCLSA-N 1 0 308.422 3.568 20 5 DHBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000449497737 338631861 /nfs/dbraw/zinc/63/18/61/338631861.db2.gz RKWYZDQIZVYMCF-HWKRDGBHSA-N 1 0 318.417 3.649 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@H](c2cccs2)C1 ZINC000449617770 338641627 /nfs/dbraw/zinc/64/16/27/338641627.db2.gz ALFSGSTVXHTNEN-ZFWWWQNUSA-N 1 0 318.398 3.666 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000449681391 338645938 /nfs/dbraw/zinc/64/59/38/338645938.db2.gz JFFHPOCIQQZPIY-AWEZNQCLSA-N 1 0 306.406 3.625 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)C1CC1 ZINC000453320488 338824391 /nfs/dbraw/zinc/82/43/91/338824391.db2.gz PETHATTWPHFPRD-HUUCEWRRSA-N 1 0 324.371 3.941 20 5 DHBDRO Cc1ccccc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000195651140 338912428 /nfs/dbraw/zinc/91/24/28/338912428.db2.gz PSPJIMCAPIJQED-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(C(F)F)CC1 ZINC000459704797 339043577 /nfs/dbraw/zinc/04/35/77/339043577.db2.gz GINOTAQDANUZPN-DCBWTQNWSA-N 1 0 312.360 3.939 20 5 DHBDRO C[C@@H](CCc1ccsc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000462794135 339089066 /nfs/dbraw/zinc/08/90/66/339089066.db2.gz UFOPYSGAYOAUAL-ZDUSSCGKSA-N 1 0 304.415 3.810 20 5 DHBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000462806214 339090368 /nfs/dbraw/zinc/09/03/68/339090368.db2.gz GFPHAOJMRULCPS-HNNXBMFYSA-N 1 0 321.421 3.670 20 5 DHBDRO COc1cc(C[N@@H+]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])cc1F ZINC000464686500 339148798 /nfs/dbraw/zinc/14/87/98/339148798.db2.gz CNOROBLHXKUWJY-AWEZNQCLSA-N 1 0 310.369 3.753 20 5 DHBDRO Cc1cccc(C)c1OCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467832047 339247089 /nfs/dbraw/zinc/24/70/89/339247089.db2.gz NSNVMPIBMDWDHX-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CS1 ZINC000468005771 339251049 /nfs/dbraw/zinc/25/10/49/339251049.db2.gz OXLZTPBYPFMWAB-UKRRQHHQSA-N 1 0 308.447 3.647 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000468011986 339251240 /nfs/dbraw/zinc/25/12/40/339251240.db2.gz PEXOYSFAXBSFBN-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCCCCC1 ZINC000468559013 339266453 /nfs/dbraw/zinc/26/64/53/339266453.db2.gz GGRCEVZZFCBHLJ-HNNXBMFYSA-N 1 0 320.433 3.591 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000468586896 339266779 /nfs/dbraw/zinc/26/67/79/339266779.db2.gz NWFXJOSLPYMUMM-GLNPCMGASA-N 1 0 304.390 3.545 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(Cl)cn1 ZINC000468590932 339267001 /nfs/dbraw/zinc/26/70/01/339267001.db2.gz XVCHBJJBHCLPDO-KPKJPENVSA-N 1 0 317.776 3.836 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@H]1CCCCO1 ZINC000468616733 339267158 /nfs/dbraw/zinc/26/71/58/339267158.db2.gz BPTYABHGZHPFJA-WTQUMQLASA-N 1 0 318.417 3.937 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1scnc1C ZINC000470169831 339312551 /nfs/dbraw/zinc/31/25/51/339312551.db2.gz KRXBBQNWMATRPA-GHXNOFRVSA-N 1 0 317.414 3.895 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000470169975 339312628 /nfs/dbraw/zinc/31/26/28/339312628.db2.gz MSDYSFZMOMPOQH-NTEUORMPSA-N 1 0 324.380 3.762 20 5 DHBDRO CCOC[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470174960 339312806 /nfs/dbraw/zinc/31/28/06/339312806.db2.gz OIAINSPEFDPKPC-IUYQLWOBSA-N 1 0 318.417 3.747 20 5 DHBDRO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000470178295 339313054 /nfs/dbraw/zinc/31/30/54/339313054.db2.gz XZANNQXBTLLOBP-PTNGSMBKSA-N 1 0 311.385 3.915 20 5 DHBDRO CSC[C@@H]1CCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470179516 339313168 /nfs/dbraw/zinc/31/31/68/339313168.db2.gz YFZCAROPLDTYHX-OVHOFWQVSA-N 1 0 306.431 3.826 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(O)(CC)CC)cc1[N+](=O)[O-] ZINC000471790516 339354100 /nfs/dbraw/zinc/35/41/00/339354100.db2.gz VKNUKUHNNYQQLN-CYBMUJFWSA-N 1 0 324.421 3.585 20 5 DHBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000471802283 339354697 /nfs/dbraw/zinc/35/46/97/339354697.db2.gz AJWJZDKTOLOJPG-AAEUAGOBSA-N 1 0 317.311 3.508 20 5 DHBDRO Cc1ccc2[nH]c(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2c1C ZINC000472063788 339361884 /nfs/dbraw/zinc/36/18/84/339361884.db2.gz PUTBWXJYPJDUKV-UHFFFAOYSA-N 1 0 309.369 3.983 20 5 DHBDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000472315453 339369664 /nfs/dbraw/zinc/36/96/64/339369664.db2.gz NQKIDCJJOQRWMJ-SFHVURJKSA-N 1 0 313.401 3.703 20 5 DHBDRO Cc1cc2[nH]c(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)cc2c(C)c1 ZINC000479542369 339540184 /nfs/dbraw/zinc/54/01/84/339540184.db2.gz MEVUXSDTHRDEAO-UHFFFAOYSA-N 1 0 309.369 3.983 20 5 DHBDRO CCCC(O)(CCC)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000483294843 339660251 /nfs/dbraw/zinc/66/02/51/339660251.db2.gz KKLVAQUOAMFAET-AWEZNQCLSA-N 1 0 308.422 3.885 20 5 DHBDRO CCOc1cc(C[NH+](CC2CC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000492517368 339902808 /nfs/dbraw/zinc/90/28/08/339902808.db2.gz XOVUUKZJSYHYJB-UHFFFAOYSA-N 1 0 304.390 3.616 20 5 DHBDRO COCCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494510126 339951979 /nfs/dbraw/zinc/95/19/79/339951979.db2.gz OFGIRJNGNBBDIN-JTQLQIEISA-N 1 0 320.311 3.518 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000497112392 340020620 /nfs/dbraw/zinc/02/06/20/340020620.db2.gz DZUBLUOGVOSYEI-CRAIPNDOSA-N 1 0 320.433 3.701 20 5 DHBDRO COc1cccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000505655658 340174310 /nfs/dbraw/zinc/17/43/10/340174310.db2.gz DABHRRXSUVDXSX-UHFFFAOYSA-N 1 0 300.358 3.544 20 5 DHBDRO Cc1cc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000506948324 340204130 /nfs/dbraw/zinc/20/41/30/340204130.db2.gz WNBBNNSBDRZODZ-UXLLHSPISA-N 1 0 317.433 3.745 20 5 DHBDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000507162230 340210160 /nfs/dbraw/zinc/21/01/60/340210160.db2.gz CFEGWRZIVDFFIN-AWEZNQCLSA-N 1 0 302.399 3.954 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000507245593 340215507 /nfs/dbraw/zinc/21/55/07/340215507.db2.gz BTXPDAROWZIVNC-NEPJUHHUSA-N 1 0 310.357 3.883 20 5 DHBDRO CC[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000507793632 340231725 /nfs/dbraw/zinc/23/17/25/340231725.db2.gz HURPCPBVKZMFJD-WMLDXEAASA-N 1 0 318.417 3.764 20 5 DHBDRO COc1cc(C[NH2+]CCCC2CCCCC2)c([N+](=O)[O-])cc1O ZINC000508108934 340239273 /nfs/dbraw/zinc/23/92/73/340239273.db2.gz FIZHVUUSECLAAJ-UHFFFAOYSA-N 1 0 322.405 3.759 20 5 DHBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccc(F)cc1 ZINC000510455578 340299969 /nfs/dbraw/zinc/29/99/69/340299969.db2.gz CFJCNVZSIHXCQE-GQCTYLIASA-N 1 0 314.360 3.922 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCCF)cc1[N+](=O)[O-] ZINC000510700411 340307210 /nfs/dbraw/zinc/30/72/10/340307210.db2.gz JGHFZEVNGMMSQJ-ZIAGYGMSSA-N 1 0 310.369 3.611 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000511103819 340320934 /nfs/dbraw/zinc/32/09/34/340320934.db2.gz CPXVZWFJLBZNHH-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000512129261 340349319 /nfs/dbraw/zinc/34/93/19/340349319.db2.gz KCECTYQJVDKLAQ-ONEGZZNKSA-N 1 0 304.296 3.676 20 5 DHBDRO COc1cc(C[NH2+]CC[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1O ZINC000512229344 340353217 /nfs/dbraw/zinc/35/32/17/340353217.db2.gz YXWAUMGANICXPH-CHWSQXEVSA-N 1 0 322.405 3.615 20 5 DHBDRO CCOCC[N@H+](CC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512299834 340356075 /nfs/dbraw/zinc/35/60/75/340356075.db2.gz PJBPNOQNBJSTAG-UHFFFAOYSA-N 1 0 318.373 3.713 20 5 DHBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCCC1 ZINC000512702070 340373632 /nfs/dbraw/zinc/37/36/32/340373632.db2.gz ZUYKXEDWJWBCRE-UHFFFAOYSA-N 1 0 314.332 3.818 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000237192497 340668784 /nfs/dbraw/zinc/66/87/84/340668784.db2.gz YGUKZAIIHQFHMP-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000237605617 340672510 /nfs/dbraw/zinc/67/25/10/340672510.db2.gz STDOVACKPILKDW-UHFFFAOYSA-N 1 0 322.311 3.794 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000539037149 340865930 /nfs/dbraw/zinc/86/59/30/340865930.db2.gz JFXRLSFPJGWQRZ-VBQJREDUSA-N 1 0 306.406 3.757 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC000540607331 340938429 /nfs/dbraw/zinc/93/84/29/340938429.db2.gz NDHOUCAESDWMAF-LSDHHAIUSA-N 1 0 320.433 3.743 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000541559443 340974533 /nfs/dbraw/zinc/97/45/33/340974533.db2.gz RRWUVTRJDPOQAN-SOUVJXGZSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1nc(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000130307268 341015018 /nfs/dbraw/zinc/01/50/18/341015018.db2.gz PXKKPDQHKOXLEW-UHFFFAOYSA-N 1 0 317.414 3.567 20 5 DHBDRO CCCN(CC(=O)OC(C)(C)C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000542647021 341015496 /nfs/dbraw/zinc/01/54/96/341015496.db2.gz XWTDARXHHGZWTG-CYBMUJFWSA-N 1 0 322.405 3.710 20 5 DHBDRO CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000564258951 341019688 /nfs/dbraw/zinc/01/96/88/341019688.db2.gz JDOFEUNWPWKVNM-HUUCEWRRSA-N 1 0 320.437 3.835 20 5 DHBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000544370804 341078623 /nfs/dbraw/zinc/07/86/23/341078623.db2.gz MOVWIRCCLQSWGZ-IUODEOHRSA-N 1 0 312.797 3.541 20 5 DHBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000544370805 341078667 /nfs/dbraw/zinc/07/86/67/341078667.db2.gz MOVWIRCCLQSWGZ-SWLSCSKDSA-N 1 0 312.797 3.541 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000544611511 341088927 /nfs/dbraw/zinc/08/89/27/341088927.db2.gz FUYPFYBOVJYNKS-CVEARBPZSA-N 1 0 306.431 3.763 20 5 DHBDRO CC[N@H+](CCC1CC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000545519497 341128190 /nfs/dbraw/zinc/12/81/90/341128190.db2.gz NHLQTQKEFCKDCP-UHFFFAOYSA-N 1 0 315.373 3.872 20 5 DHBDRO Cc1ccc([C@@H](C)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000546931194 341187138 /nfs/dbraw/zinc/18/71/38/341187138.db2.gz RVHGVIDVETXSMG-OAHLLOKOSA-N 1 0 319.449 3.676 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc(C(F)(F)F)c1 ZINC000549038661 341284325 /nfs/dbraw/zinc/28/43/25/341284325.db2.gz PVGZQMCUCGUNCE-ZLKJLUDKSA-N 1 0 314.307 3.892 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245383756 341290168 /nfs/dbraw/zinc/29/01/68/341290168.db2.gz RHNORRUFCPBXTA-WMLDXEAASA-N 1 0 311.385 3.842 20 5 DHBDRO Cc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000549407688 341293603 /nfs/dbraw/zinc/29/36/03/341293603.db2.gz IGMYOJUBJZPMOA-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000245493048 341297125 /nfs/dbraw/zinc/29/71/25/341297125.db2.gz KTCYEQPWUAVVTE-LESCRADOSA-N 1 0 317.433 3.603 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245572477 341302928 /nfs/dbraw/zinc/30/29/28/341302928.db2.gz CKEAKOGEOUVQAA-QVHKTLOISA-N 1 0 322.405 3.600 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)F ZINC000551264425 341335939 /nfs/dbraw/zinc/33/59/39/341335939.db2.gz KOOIUGUQNBMJPM-NEPJUHHUSA-N 1 0 300.399 3.803 20 5 DHBDRO CC(C)(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000551296543 341337423 /nfs/dbraw/zinc/33/74/23/341337423.db2.gz KXWWFWJUZCTEAG-HUUCEWRRSA-N 1 0 320.437 3.691 20 5 DHBDRO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000246415852 341347918 /nfs/dbraw/zinc/34/79/18/341347918.db2.gz MWEQXBYTKOBGDY-HZPDHXFCSA-N 1 0 319.449 3.613 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000246882372 341358203 /nfs/dbraw/zinc/35/82/03/341358203.db2.gz LUWWKVSMIRNGQT-VEFTVXKRSA-N 1 0 308.381 3.831 20 5 DHBDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552315348 341385833 /nfs/dbraw/zinc/38/58/33/341385833.db2.gz MYCPSMURSLUZPR-LBPRGKRZSA-N 1 0 318.398 3.544 20 5 DHBDRO Cc1cccc(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000552326531 341386809 /nfs/dbraw/zinc/38/68/09/341386809.db2.gz WDNNHOVWYPGQMG-HNNXBMFYSA-N 1 0 313.401 3.890 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3CF)o2)c1 ZINC000552391943 341390881 /nfs/dbraw/zinc/39/08/81/341390881.db2.gz DKVBBGPJYKIBBR-AWEZNQCLSA-N 1 0 304.321 3.789 20 5 DHBDRO CCC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000153074916 341523482 /nfs/dbraw/zinc/52/34/82/341523482.db2.gz CEPFTIJWYDSPLS-UHFFFAOYSA-N 1 0 315.373 3.872 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](OC)C(C)(C)C)cc1[N+](=O)[O-] ZINC000154093746 341584537 /nfs/dbraw/zinc/58/45/37/341584537.db2.gz AYTUKJSABMPBON-LRDDRELGSA-N 1 0 324.421 3.705 20 5 DHBDRO CCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000272981029 341632409 /nfs/dbraw/zinc/63/24/09/341632409.db2.gz YCGQKSBLYLKRAP-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO CCC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000175866761 341849392 /nfs/dbraw/zinc/84/93/92/341849392.db2.gz FZHLFPGPSCEFKL-UHFFFAOYSA-N 1 0 317.414 3.998 20 5 DHBDRO COCC1(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000577952520 341957505 /nfs/dbraw/zinc/95/75/05/341957505.db2.gz NGEDIMUVWLEJGI-MRXNPFEDSA-N 1 0 318.417 3.724 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000178729168 341962989 /nfs/dbraw/zinc/96/29/89/341962989.db2.gz KHTXQLNXDPYVSV-KPZWWZAWSA-N 1 0 312.369 3.627 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157781635 520790970 /nfs/dbraw/zinc/79/09/70/520790970.db2.gz IPWNBACPKRIAMS-NXHRZFHOSA-N 1 0 318.417 3.983 20 5 DHBDRO CCOCCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000159978233 521691033 /nfs/dbraw/zinc/69/10/33/521691033.db2.gz WHRBFGIHFNIDHH-AWEZNQCLSA-N 1 0 306.406 3.842 20 5 DHBDRO CC[C@H]([NH2+]CCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000156966451 522598506 /nfs/dbraw/zinc/59/85/06/522598506.db2.gz UDDPJTIGOYVIMN-SFHVURJKSA-N 1 0 314.385 3.852 20 5 DHBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000193278319 522751834 /nfs/dbraw/zinc/75/18/34/522751834.db2.gz JGENDRYGVKHKBR-INIZCTEOSA-N 1 0 320.776 3.726 20 5 DHBDRO CC[C@@H]([NH2+]CCCO[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000338279848 522831845 /nfs/dbraw/zinc/83/18/45/522831845.db2.gz GTXPCZAOWYTQKL-SJORKVTESA-N 1 0 322.405 3.569 20 5 DHBDRO COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155802185 524227465 /nfs/dbraw/zinc/22/74/65/524227465.db2.gz VNJBSFKQZNLYAX-YVEFUNNKSA-N 1 0 312.369 3.942 20 5 DHBDRO COc1ccsc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000186153279 524886578 /nfs/dbraw/zinc/88/65/78/524886578.db2.gz KBHWQBLUGUEWJQ-NSHDSACASA-N 1 0 306.387 3.558 20 5 DHBDRO Cc1cc(NC2CC[NH+](C3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000267090884 525264321 /nfs/dbraw/zinc/26/43/21/525264321.db2.gz UUOPOYJILHLJLZ-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccccc1C ZINC000172451981 525463089 /nfs/dbraw/zinc/46/30/89/525463089.db2.gz FIAMIQGWSTVRCA-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000180718602 525577904 /nfs/dbraw/zinc/57/79/04/525577904.db2.gz BFAXQPAGOLXVQC-MEDUHNTESA-N 1 0 316.332 3.908 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249888201 526085508 /nfs/dbraw/zinc/08/55/08/526085508.db2.gz PVDFUCDBRLPHHT-TZMCWYRMSA-N 1 0 317.414 3.992 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCC1CCOCC1 ZINC000182843817 526087872 /nfs/dbraw/zinc/08/78/72/526087872.db2.gz DVSHFALZPYYHPI-CQSZACIVSA-N 1 0 306.406 3.713 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OCC2CC2)CC1 ZINC000364976837 526090535 /nfs/dbraw/zinc/09/05/35/526090535.db2.gz FYZFFMZGQBXVBH-AWEZNQCLSA-N 1 0 318.417 3.855 20 5 DHBDRO Cc1csc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000156662189 526329993 /nfs/dbraw/zinc/32/99/93/526329993.db2.gz GXSYJRXQRLKXCG-UHFFFAOYSA-N 1 0 317.414 3.739 20 5 DHBDRO Cc1csc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000181613963 526439072 /nfs/dbraw/zinc/43/90/72/526439072.db2.gz HLOZSRJRQLHFCR-OAHLLOKOSA-N 1 0 317.414 3.643 20 5 DHBDRO Cc1nc2c(s1)CCC[C@@H]2C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000366402791 527103420 /nfs/dbraw/zinc/10/34/20/527103420.db2.gz KHYPQYSXBGNWLA-CYBMUJFWSA-N 1 0 317.414 3.569 20 5 DHBDRO COCC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272452017 536819941 /nfs/dbraw/zinc/81/99/41/536819941.db2.gz MQGYFQGHUXFQEP-DOMZBBRYSA-N 1 0 304.346 3.616 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(Cl)c1 ZINC000517736057 1013053951 /nfs/dbraw/zinc/05/39/51/1013053951.db2.gz FPRJVBYVXZNZBD-XJKSGUPXSA-N 1 0 324.808 3.639 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000359864662 1013054204 /nfs/dbraw/zinc/05/42/04/1013054204.db2.gz BMYWKTAFUCRTKB-BBWFWOEESA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000359870826 1013057344 /nfs/dbraw/zinc/05/73/44/1013057344.db2.gz JNMKSNPFHSXJLV-KDOFPFPSSA-N 1 0 311.385 3.615 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](F)C3)o2)c1 ZINC000561748405 1032061694 /nfs/dbraw/zinc/06/16/94/1032061694.db2.gz KITPSFYENQWCBA-OLZOCXBDSA-N 1 0 304.321 3.835 20 5 DHBDRO Cc1ccoc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000426284904 1013187392 /nfs/dbraw/zinc/18/73/92/1013187392.db2.gz BYSYVUXHLRITSN-ZBFHGGJFSA-N 1 0 314.385 3.997 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CC)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000361733869 1032072919 /nfs/dbraw/zinc/07/29/19/1032072919.db2.gz DHHLXYQTXIKCHI-DLBZAZTESA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000610271605 1013556212 /nfs/dbraw/zinc/55/62/12/1013556212.db2.gz AMKXFUZSWKHXDQ-ZDUSSCGKSA-N 1 0 302.374 3.916 20 5 DHBDRO CC(C)[C@@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000083168508 1013781820 /nfs/dbraw/zinc/78/18/20/1013781820.db2.gz NWSFLVRAWPZMOD-LLVKDONJSA-N 1 0 303.362 3.745 20 5 DHBDRO CCOC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000340464800 1013826610 /nfs/dbraw/zinc/82/66/10/1013826610.db2.gz KTMWRGHXZCHDHV-KRWDZBQOSA-N 1 0 318.417 3.911 20 5 DHBDRO CC[C@H]1CCCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441436582 1013839031 /nfs/dbraw/zinc/83/90/31/1013839031.db2.gz HRPQXIRILVTYKS-AWEZNQCLSA-N 1 0 322.405 3.637 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccsc1)C1CC1 ZINC000177726727 1014051405 /nfs/dbraw/zinc/05/14/05/1014051405.db2.gz GQQGBGKCSHAYAM-INIZCTEOSA-N 1 0 316.426 3.810 20 5 DHBDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090519497 1014090140 /nfs/dbraw/zinc/09/01/40/1014090140.db2.gz DYDXRWPAJYBBJR-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO CC[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000319889058 1014269626 /nfs/dbraw/zinc/26/96/26/1014269626.db2.gz WUVHQPHXNKJXDT-QAPCUYQASA-N 1 0 319.449 3.900 20 5 DHBDRO CC[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000319889061 1014269134 /nfs/dbraw/zinc/26/91/34/1014269134.db2.gz WUVHQPHXNKJXDT-YJBOKZPZSA-N 1 0 319.449 3.900 20 5 DHBDRO CC[C@H](C)C[N@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177856475 1014436403 /nfs/dbraw/zinc/43/64/03/1014436403.db2.gz DYWOUPCXCMOYFJ-LBPRGKRZSA-N 1 0 318.377 3.513 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000053149064 1014490287 /nfs/dbraw/zinc/49/02/87/1014490287.db2.gz LFMQISODVFTFLI-UHFFFAOYSA-N 1 0 308.740 3.986 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)C1(C)CC1 ZINC000706939399 1014764098 /nfs/dbraw/zinc/76/40/98/1014764098.db2.gz XVOSQQWQDLNTHG-VIFPVBQESA-N 1 0 313.195 3.636 20 5 DHBDRO CC[NH+](CC)[C@H](CNCc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000521818964 1014809881 /nfs/dbraw/zinc/80/98/81/1014809881.db2.gz JJNOMIGWKWEDKW-KRWDZBQOSA-N 1 0 321.465 3.749 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccsc1)C1CC1 ZINC000178023903 1014901594 /nfs/dbraw/zinc/90/15/94/1014901594.db2.gz IBYQIBQOPKACFE-HNNXBMFYSA-N 1 0 302.399 3.767 20 5 DHBDRO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)C1 ZINC000127263126 1015256046 /nfs/dbraw/zinc/25/60/46/1015256046.db2.gz YJRIKRLDZAWVPY-NWDGAFQWSA-N 1 0 303.362 3.604 20 5 DHBDRO CCc1nc(C)c([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000090909819 1015301464 /nfs/dbraw/zinc/30/14/64/1015301464.db2.gz XBFNJYSLEJJRPQ-NSHDSACASA-N 1 0 319.430 3.815 20 5 DHBDRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000157948385 1015338649 /nfs/dbraw/zinc/33/86/49/1015338649.db2.gz HDMSMNNQDBGKFE-NSHDSACASA-N 1 0 319.430 3.870 20 5 DHBDRO CC[C@@H]([NH2+]C1CC(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000348688020 1015344890 /nfs/dbraw/zinc/34/48/90/1015344890.db2.gz VFYVXTZNWSPVQL-GCZXYKMCSA-N 1 0 302.296 3.976 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000280866922 1015472336 /nfs/dbraw/zinc/47/23/36/1015472336.db2.gz MKLOWEPRBQUCJC-ZDUSSCGKSA-N 1 0 302.378 3.531 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1 ZINC000237366848 1015469369 /nfs/dbraw/zinc/46/93/69/1015469369.db2.gz BRMPFFJARBYNQU-LBPRGKRZSA-N 1 0 320.776 3.805 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000280866920 1015471086 /nfs/dbraw/zinc/47/10/86/1015471086.db2.gz MKLOWEPRBQUCJC-CYBMUJFWSA-N 1 0 302.378 3.531 20 5 DHBDRO Cc1nc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000610946377 1015527459 /nfs/dbraw/zinc/52/74/59/1015527459.db2.gz KCKOBNDBTSSHSA-SNVBAGLBSA-N 1 0 305.403 3.561 20 5 DHBDRO CCOC[C@H]1CCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000474799151 1015601505 /nfs/dbraw/zinc/60/15/05/1015601505.db2.gz NIYNGFKDUSSHEZ-SJLPKXTDSA-N 1 0 320.433 3.712 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610832264 1015880810 /nfs/dbraw/zinc/88/08/10/1015880810.db2.gz OYPPBYJWHXBGFY-VBQJREDUSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1F ZINC000538457234 1016122271 /nfs/dbraw/zinc/12/22/71/1016122271.db2.gz PHONAJJBZPANSG-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538717425 1016163084 /nfs/dbraw/zinc/16/30/84/1016163084.db2.gz ZZFRFIUYSDIFIR-VXGBXAGGSA-N 1 0 317.414 3.949 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281275315 1016429990 /nfs/dbraw/zinc/42/99/90/1016429990.db2.gz YTPRRFYTVMRNEM-STQMWFEESA-N 1 0 312.360 3.941 20 5 DHBDRO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281440019 1016520266 /nfs/dbraw/zinc/52/02/66/1016520266.db2.gz SAKLJARJBIAYIL-LBPRGKRZSA-N 1 0 302.378 3.531 20 5 DHBDRO O=[N+]([O-])c1cccc(CN2C[C@H]3CCC[N@@H+]3Cc3ccccc32)c1 ZINC000342527071 1016685097 /nfs/dbraw/zinc/68/50/97/1016685097.db2.gz UGJLQWOLCHVIOZ-GOSISDBHSA-N 1 0 323.396 3.579 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1scnc1C1CC1 ZINC000338957320 1016774437 /nfs/dbraw/zinc/77/44/37/1016774437.db2.gz YTULHAOBZKSNFW-UHFFFAOYSA-N 1 0 317.414 3.603 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC2(CCO)CCCC2)cc1[N+](=O)[O-] ZINC000072925817 1016996468 /nfs/dbraw/zinc/99/64/68/1016996468.db2.gz TVPSFKPWRIFDGV-UHFFFAOYSA-N 1 0 320.433 3.751 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000847018559 1032178607 /nfs/dbraw/zinc/17/86/07/1032178607.db2.gz FTEBZMJLMWXHLD-SJORKVTESA-N 1 0 318.348 3.508 20 5 DHBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CC[C@@H](C)C1 ZINC000362160758 1032255691 /nfs/dbraw/zinc/25/56/91/1032255691.db2.gz YMLDXURRYRPCIQ-CJNGLKHVSA-N 1 0 306.406 3.540 20 5 DHBDRO C[N@H+](CCOc1ccccc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000479782562 1017071053 /nfs/dbraw/zinc/07/10/53/1017071053.db2.gz MRKYNTQPZRKEMJ-UHFFFAOYSA-N 1 0 320.776 3.759 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000035257713 1017075446 /nfs/dbraw/zinc/07/54/46/1017075446.db2.gz OIPBZUZWMTVZTC-NEPJUHHUSA-N 1 0 302.296 3.806 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000362190311 1032266279 /nfs/dbraw/zinc/26/62/79/1032266279.db2.gz LPHUUJBJZBXHEI-SJCJKPOMSA-N 1 0 322.380 3.755 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593053778 1032501636 /nfs/dbraw/zinc/50/16/36/1032501636.db2.gz MGVLPUWRFBJBQZ-ZBFHGGJFSA-N 1 0 306.406 3.854 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000773052480 1032541543 /nfs/dbraw/zinc/54/15/43/1032541543.db2.gz ZMXPHUGXUOJUJB-NVGCLXPQSA-N 1 0 318.348 3.507 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000773117122 1032563197 /nfs/dbraw/zinc/56/31/97/1032563197.db2.gz KLVIXABDMNLACW-VBQJREDUSA-N 1 0 313.401 3.985 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000773117120 1032563703 /nfs/dbraw/zinc/56/37/03/1032563703.db2.gz KLVIXABDMNLACW-JJRVBVJISA-N 1 0 313.401 3.985 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000773132826 1032567973 /nfs/dbraw/zinc/56/79/73/1032567973.db2.gz WPUAYWSJTKLDDS-HEHGZKQESA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000773141929 1032574011 /nfs/dbraw/zinc/57/40/11/1032574011.db2.gz YIDOLKMFKARWMD-MMMKDXCPSA-N 1 0 324.471 3.625 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000122760626 1032619394 /nfs/dbraw/zinc/61/93/94/1032619394.db2.gz NQUKAHBTMNXFMY-GFCCVEGCSA-N 1 0 319.792 3.845 20 5 DHBDRO CC[N@H+](CCc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000515545851 1012656768 /nfs/dbraw/zinc/65/67/68/1012656768.db2.gz BAEJZTGESPSZMJ-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO Cc1ccc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000609075395 1012797636 /nfs/dbraw/zinc/79/76/36/1012797636.db2.gz YAIVBFPVPKCBSQ-UHFFFAOYSA-N 1 0 320.414 3.866 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CCO)CC(C)C)cccc1[N+](=O)[O-] ZINC000154650816 1012891489 /nfs/dbraw/zinc/89/14/89/1012891489.db2.gz KNJYVIXQEFNXHE-CABCVRRESA-N 1 0 308.422 3.599 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CCO)C1CCCCC1 ZINC000517040209 1012897621 /nfs/dbraw/zinc/89/76/21/1012897621.db2.gz QEEOXNCEJZUCJI-SJORKVTESA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000425958100 1013014094 /nfs/dbraw/zinc/01/40/94/1013014094.db2.gz LNBRVAPLUJMKBE-UKRRQHHQSA-N 1 0 324.371 3.941 20 5 DHBDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000475283517 1017116330 /nfs/dbraw/zinc/11/63/30/1017116330.db2.gz IMBLXHJDVCOFMQ-FJYXQWIHSA-N 1 0 314.307 3.881 20 5 DHBDRO Cc1ccc([C@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000611480943 1017220049 /nfs/dbraw/zinc/22/00/49/1017220049.db2.gz YJZRPGSLBRSHNI-ZDUSSCGKSA-N 1 0 323.356 3.657 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cnccc1C ZINC000475555171 1017426646 /nfs/dbraw/zinc/42/66/46/1017426646.db2.gz LIOCZIPFUDZMBW-ZROIWOOFSA-N 1 0 311.385 3.834 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178654268 1017559054 /nfs/dbraw/zinc/55/90/54/1017559054.db2.gz CGBMNEAMMGZPLR-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000178659760 1017566555 /nfs/dbraw/zinc/56/65/55/1017566555.db2.gz SDRJMCZYVVWSOP-STQMWFEESA-N 1 0 318.348 3.852 20 5 DHBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)OCC1CC1 ZINC000840960056 1017584926 /nfs/dbraw/zinc/58/49/26/1017584926.db2.gz CVPYGXAJMBCDPC-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444674243 1017623639 /nfs/dbraw/zinc/62/36/39/1017623639.db2.gz ONWUMEDHUNEVDK-GFCCVEGCSA-N 1 0 310.357 3.630 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000444828571 1017690115 /nfs/dbraw/zinc/69/01/15/1017690115.db2.gz OGRFCVFNXCENNN-NEPJUHHUSA-N 1 0 309.797 3.595 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)o1 ZINC000572878025 1017746538 /nfs/dbraw/zinc/74/65/38/1017746538.db2.gz LZCYLZDJQCWYBN-NWDGAFQWSA-N 1 0 304.321 3.835 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000356787614 1017750446 /nfs/dbraw/zinc/75/04/46/1017750446.db2.gz PDIPGRAFDKYUEP-LXZKKBNFSA-N 1 0 306.406 3.841 20 5 DHBDRO CCCC[NH+]1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000164475648 1017761476 /nfs/dbraw/zinc/76/14/76/1017761476.db2.gz ATNJEEYMINWDGT-HNNXBMFYSA-N 1 0 319.449 3.818 20 5 DHBDRO C[C@H]([NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1[N+](=O)[O-] ZINC000282512357 1017764899 /nfs/dbraw/zinc/76/48/99/1017764899.db2.gz ZBIWABJVYYTQSV-STQMWFEESA-N 1 0 321.380 3.894 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000268959797 1017882018 /nfs/dbraw/zinc/88/20/18/1017882018.db2.gz HUUDJSZEBBZYDF-HNNXBMFYSA-N 1 0 304.390 3.566 20 5 DHBDRO CC[C@@H](NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000171509894 1017950783 /nfs/dbraw/zinc/95/07/83/1017950783.db2.gz YQQLVLQEVMHRFS-QGZVFWFLSA-N 1 0 305.422 3.510 20 5 DHBDRO CCSC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000700855692 1017967273 /nfs/dbraw/zinc/96/72/73/1017967273.db2.gz CGVGTCQRKPFCLH-UHFFFAOYSA-N 1 0 300.811 3.624 20 5 DHBDRO CC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000152160017 1017973759 /nfs/dbraw/zinc/97/37/59/1017973759.db2.gz MAXKWAIUWPNUCT-MRXNPFEDSA-N 1 0 320.414 3.574 20 5 DHBDRO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000153722602 1017992192 /nfs/dbraw/zinc/99/21/92/1017992192.db2.gz RIKVHLGLHPLCEV-HOCLYGCPSA-N 1 0 317.433 3.571 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(F)cc1 ZINC000172673689 1018077695 /nfs/dbraw/zinc/07/76/95/1018077695.db2.gz QRDIDZJRPNYKHO-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173398963 1018195764 /nfs/dbraw/zinc/19/57/64/1018195764.db2.gz NDDJLRSJVFXYHJ-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCC[C@@H](C4CC4)C3)nc2c1 ZINC000446835777 1018263048 /nfs/dbraw/zinc/26/30/48/1018263048.db2.gz QHNWJJZHWYFZQV-OLZOCXBDSA-N 1 0 314.389 3.530 20 5 DHBDRO CCCC[N@H+](C)CC1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000446889357 1018287357 /nfs/dbraw/zinc/28/73/57/1018287357.db2.gz VYPKEBCWNTUPJZ-UHFFFAOYSA-N 1 0 319.449 3.852 20 5 DHBDRO CC[N@@H+](Cc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764858957 1018401984 /nfs/dbraw/zinc/40/19/84/1018401984.db2.gz XJURKKJRCUVJGP-UHFFFAOYSA-N 1 0 324.384 3.733 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000447594228 1018433922 /nfs/dbraw/zinc/43/39/22/1018433922.db2.gz XSDZKJNXXNWXAT-ROUUACIJSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000447599952 1018434722 /nfs/dbraw/zinc/43/47/22/1018434722.db2.gz LAUBZWHPQJZVMS-QWQRMKEZSA-N 1 0 318.417 3.767 20 5 DHBDRO COc1ccc(-c2ccc(C[NH+]3[C@@H](C)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000527238446 1018535968 /nfs/dbraw/zinc/53/59/68/1018535968.db2.gz DIWQGKXSTJJHHJ-RYUDHWBXSA-N 1 0 316.357 3.846 20 5 DHBDRO COC1(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000340442597 1018611002 /nfs/dbraw/zinc/61/10/02/1018611002.db2.gz ZTXPCPGRIIQUBV-MRXNPFEDSA-N 1 0 304.390 3.521 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC000765421999 1018780365 /nfs/dbraw/zinc/78/03/65/1018780365.db2.gz XHHGKWOZEXSVCW-JTQLQIEISA-N 1 0 321.764 3.503 20 5 DHBDRO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000187059233 1018973701 /nfs/dbraw/zinc/97/37/01/1018973701.db2.gz BWUDWJVOJOCZJA-CHWSQXEVSA-N 1 0 315.373 3.719 20 5 DHBDRO [NH3+]CC[C@@H]1CN(c2cc3cc[nH]c3c([N+](=O)[O-])c2)c2ccccc21 ZINC001168549914 1019027838 /nfs/dbraw/zinc/02/78/38/1019027838.db2.gz QVJFCFFWQWMTTF-CYBMUJFWSA-N 1 0 322.368 3.660 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)cccc1[N+](=O)[O-] ZINC000922048697 1019362814 /nfs/dbraw/zinc/36/28/14/1019362814.db2.gz LIJHTAZYZRAKBO-LBPRGKRZSA-N 1 0 312.369 3.516 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccccn2)CC1 ZINC000611090540 1019398131 /nfs/dbraw/zinc/39/81/31/1019398131.db2.gz HMSYSGSQJHARDT-AWEZNQCLSA-N 1 0 311.385 3.930 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3c2cc(F)cc3F)c1 ZINC000611151052 1019405424 /nfs/dbraw/zinc/40/54/24/1019405424.db2.gz LRDIPSQIYNOAMV-KRWDZBQOSA-N 1 0 318.323 3.693 20 5 DHBDRO CCc1ccc([C@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000090844001 1019420744 /nfs/dbraw/zinc/42/07/44/1019420744.db2.gz NACFIFMWBLMXIM-UGSOOPFHSA-N 1 0 314.385 3.541 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCCc3sccc3C2)cc1[N+](=O)[O-] ZINC000611271119 1019428436 /nfs/dbraw/zinc/42/84/36/1019428436.db2.gz GRPASHSFBSGWID-UHFFFAOYSA-N 1 0 302.399 3.913 20 5 DHBDRO CCCC(O)(CCC)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255423745 1019444333 /nfs/dbraw/zinc/44/43/33/1019444333.db2.gz ABBQICGOCYSHOE-CLFYSBASSA-N 1 0 306.406 3.529 20 5 DHBDRO CCC1(O)CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000611327410 1019446456 /nfs/dbraw/zinc/44/64/56/1019446456.db2.gz BQCYRSFGHVKSSM-TUBUQKNSSA-N 1 0 306.406 3.638 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611350527 1019450037 /nfs/dbraw/zinc/45/00/37/1019450037.db2.gz PUROKMXYMLLHJT-OAGGEKHMSA-N 1 0 318.417 3.794 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611350963 1019450453 /nfs/dbraw/zinc/45/04/53/1019450453.db2.gz VVZPWLPCPJVZGV-OAGGEKHMSA-N 1 0 318.417 3.794 20 5 DHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000611370313 1019456293 /nfs/dbraw/zinc/45/62/93/1019456293.db2.gz XTNLSBYLSWTMIF-JSGCOSHPSA-N 1 0 317.414 3.904 20 5 DHBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccsc3[N+](=O)[O-])C2)CC1 ZINC000611370560 1019457183 /nfs/dbraw/zinc/45/71/83/1019457183.db2.gz QTFZEUIRFGVCMF-CQSZACIVSA-N 1 0 323.462 3.605 20 5 DHBDRO CSCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000128211428 1019467422 /nfs/dbraw/zinc/46/74/22/1019467422.db2.gz TWUGDBLVDLLYSP-UHFFFAOYSA-N 1 0 306.387 3.650 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)C1CC1 ZINC000611475695 1019497565 /nfs/dbraw/zinc/49/75/65/1019497565.db2.gz ABPSOMWITCXOJA-ZIAGYGMSSA-N 1 0 310.344 3.693 20 5 DHBDRO CC(C)(NCc1cnn(C2CCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000922143653 1019515574 /nfs/dbraw/zinc/51/55/74/1019515574.db2.gz MKMFPZBAKYWTMB-UHFFFAOYSA-N 1 0 314.389 3.541 20 5 DHBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000611555045 1019517094 /nfs/dbraw/zinc/51/70/94/1019517094.db2.gz KJEPFHNUOFOWTF-YPMHNXCESA-N 1 0 316.323 3.800 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000368774022 1019547616 /nfs/dbraw/zinc/54/76/16/1019547616.db2.gz XXBQDWOAFUZDBP-ZDUSSCGKSA-N 1 0 322.368 3.836 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCc2sccc2C1 ZINC000255870410 1019622930 /nfs/dbraw/zinc/62/29/30/1019622930.db2.gz GOIOWNANWCBTEN-HYXAFXHYSA-N 1 0 300.383 3.728 20 5 DHBDRO Cc1cnc(CC[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000255885886 1019634888 /nfs/dbraw/zinc/63/48/88/1019634888.db2.gz CCDRQKYVTAFODF-ALCCZGGFSA-N 1 0 317.414 3.547 20 5 DHBDRO C[C@H](C[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000727427990 1019713076 /nfs/dbraw/zinc/71/30/76/1019713076.db2.gz LCBBYBJGAFNRID-CQSZACIVSA-N 1 0 324.384 3.638 20 5 DHBDRO Cc1c([C@H](C)NC[C@H](C(C)C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000480552810 1019748296 /nfs/dbraw/zinc/74/82/96/1019748296.db2.gz KLYOJVRHFOVQPI-MAUKXSAKSA-N 1 0 319.449 3.674 20 5 DHBDRO CCOc1cc(F)cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000922539887 1020122707 /nfs/dbraw/zinc/12/27/07/1020122707.db2.gz FTLFQFGPUWLHPP-GFCCVEGCSA-N 1 0 318.348 3.983 20 5 DHBDRO COc1ccccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000154561045 1020126710 /nfs/dbraw/zinc/12/67/10/1020126710.db2.gz UXVGNXYPWUOIID-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093419236 1020151760 /nfs/dbraw/zinc/15/17/60/1020151760.db2.gz DIVWEFWPDRSIDR-INIZCTEOSA-N 1 0 320.433 3.967 20 5 DHBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000390484538 1020199657 /nfs/dbraw/zinc/19/96/57/1020199657.db2.gz GDLDOQOSNHYXBA-JTQLQIEISA-N 1 0 319.327 3.754 20 5 DHBDRO C[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000124674262 1020210006 /nfs/dbraw/zinc/21/00/06/1020210006.db2.gz ILOSYRJNJLFHIY-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000330668891 1020237907 /nfs/dbraw/zinc/23/79/07/1020237907.db2.gz ZLTKNTIWGCAWHQ-LSDHHAIUSA-N 1 0 305.422 3.508 20 5 DHBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1 ZINC000179320506 1020252122 /nfs/dbraw/zinc/25/21/22/1020252122.db2.gz VREOYKWBYCSYLJ-UHFFFAOYSA-N 1 0 300.358 3.711 20 5 DHBDRO O=C1C[C@H](CC[NH2+]Cc2c3ccccc3cc3ccccc32)CN1 ZINC000922786017 1020268327 /nfs/dbraw/zinc/26/83/27/1020268327.db2.gz XCNJWJKUACKEAE-HNNXBMFYSA-N 1 0 318.420 3.609 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000922845245 1020309740 /nfs/dbraw/zinc/30/97/40/1020309740.db2.gz KRZKCBVXRIDEPW-CYBMUJFWSA-N 1 0 322.430 3.511 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CSc3ccccc32)cc1 ZINC000156258392 1020334837 /nfs/dbraw/zinc/33/48/37/1020334837.db2.gz NIZMCFBZYBJONC-OAHLLOKOSA-N 1 0 300.383 3.574 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccs1)C1CC1 ZINC000156489299 1020355633 /nfs/dbraw/zinc/35/56/33/1020355633.db2.gz LTJKKBVRLFJIDI-HNNXBMFYSA-N 1 0 302.399 3.767 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000282150638 1020360318 /nfs/dbraw/zinc/36/03/18/1020360318.db2.gz SRKOCOCDJHTTMJ-CZUORRHYSA-N 1 0 304.390 3.595 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903284909 1020367222 /nfs/dbraw/zinc/36/72/22/1020367222.db2.gz UZBRVHDYYPJXIV-PWSUYJOCSA-N 1 0 309.435 3.502 20 5 DHBDRO COc1cccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000283114213 1020381064 /nfs/dbraw/zinc/38/10/64/1020381064.db2.gz MNWAOUUUWJOXNN-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000480618845 1020466248 /nfs/dbraw/zinc/46/62/48/1020466248.db2.gz WSTULPYHHKXJJA-XHSDSOJGSA-N 1 0 319.449 3.817 20 5 DHBDRO CCN(C)c1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000765849197 1020502513 /nfs/dbraw/zinc/50/25/13/1020502513.db2.gz NRNLCSFMXCUFEE-CQSZACIVSA-N 1 0 313.401 3.902 20 5 DHBDRO CC(C)([NH2+]Cc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000163118752 1020575165 /nfs/dbraw/zinc/57/51/65/1020575165.db2.gz JFFJKYLXWALSBD-UHFFFAOYSA-N 1 0 306.312 3.898 20 5 DHBDRO CCC[C@@H]([NH2+]CCCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000163228809 1020586235 /nfs/dbraw/zinc/58/62/35/1020586235.db2.gz XJHMIYMVPDOXQC-MRXNPFEDSA-N 1 0 308.422 3.824 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000735323547 1020718602 /nfs/dbraw/zinc/71/86/02/1020718602.db2.gz CGXJUCIYMICPCO-HNNXBMFYSA-N 1 0 310.397 3.798 20 5 DHBDRO C[NH+](C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000580779071 1020860272 /nfs/dbraw/zinc/86/02/72/1020860272.db2.gz WBIDKTIMWKJPAV-OAHLLOKOSA-N 1 0 321.327 3.588 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000414237796 1021022514 /nfs/dbraw/zinc/02/25/14/1021022514.db2.gz WWZLBPQUGFOBBA-AHIWAGSCSA-N 1 0 306.406 3.757 20 5 DHBDRO CCC[C@H]([NH2+]CCN1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766271983 1021026063 /nfs/dbraw/zinc/02/60/63/1021026063.db2.gz WVAJPJKTTNAMCH-PBHICJAKSA-N 1 0 305.422 3.510 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000414253097 1021034698 /nfs/dbraw/zinc/03/46/98/1021034698.db2.gz ATXGZAQVVZGXLL-HPZZRFSDSA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC000858576039 1032950554 /nfs/dbraw/zinc/95/05/54/1032950554.db2.gz GRCHUDOHHLYXBD-QMTHXVAHSA-N 1 0 303.387 3.780 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(F)c1 ZINC000537955768 1032951531 /nfs/dbraw/zinc/95/15/31/1032951531.db2.gz KFPGJZVJYXFNDF-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCOC2CCC2)o1 ZINC000742386601 1021109540 /nfs/dbraw/zinc/10/95/40/1021109540.db2.gz JBBYBDHKJMSZSS-UHFFFAOYSA-N 1 0 316.357 3.514 20 5 DHBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279151 1021230412 /nfs/dbraw/zinc/23/04/12/1021230412.db2.gz VPFUCQMFDKULDI-XYPHTWIQSA-N 1 0 306.406 3.529 20 5 DHBDRO CCOC[C@@H]([NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)C(C)C ZINC000189354779 1021359386 /nfs/dbraw/zinc/35/93/86/1021359386.db2.gz LOFOUWCMOJHVLX-UKRRQHHQSA-N 1 0 324.421 3.705 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CO)CCCCC1)CCC2 ZINC000618571895 1021435460 /nfs/dbraw/zinc/43/54/60/1021435460.db2.gz MABATQXKBGIPHX-KRWDZBQOSA-N 1 0 318.417 3.505 20 5 DHBDRO C[C@@]1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1(F)F ZINC000850380261 1021499565 /nfs/dbraw/zinc/49/95/65/1021499565.db2.gz CXBILNFIBBSLHT-GFCCVEGCSA-N 1 0 304.724 3.773 20 5 DHBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414497588 1021515882 /nfs/dbraw/zinc/51/58/82/1021515882.db2.gz UBCNFXOCZIADTO-NQPDJEJGSA-N 1 0 324.380 3.510 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCSC(F)(F)F ZINC000850425553 1021525132 /nfs/dbraw/zinc/52/51/32/1021525132.db2.gz NSERMUCSKLVYQL-MRVPVSSYSA-N 1 0 324.324 3.507 20 5 DHBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000744442063 1021545157 /nfs/dbraw/zinc/54/51/57/1021545157.db2.gz WBZHVTXCGMOFEK-QWRGUYRKSA-N 1 0 321.402 3.950 20 5 DHBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000744440701 1021545303 /nfs/dbraw/zinc/54/53/03/1021545303.db2.gz GTMRCDPALZELNZ-BBRMVZONSA-N 1 0 314.389 3.536 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000850528195 1021582646 /nfs/dbraw/zinc/58/26/46/1021582646.db2.gz JKSYEKMFVGRYEH-ULFGMLNVSA-N 1 0 312.369 3.732 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850529115 1021582666 /nfs/dbraw/zinc/58/26/66/1021582666.db2.gz NMQLSYQIQKYRRU-RCCFBDPRSA-N 1 0 312.369 3.814 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCC3CCC3)CC2)cc1 ZINC000850537989 1021593942 /nfs/dbraw/zinc/59/39/42/1021593942.db2.gz ZIIMLSTWHLKKBM-UHFFFAOYSA-N 1 0 317.433 3.734 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1SCCS1)CCC2 ZINC000850569227 1021612586 /nfs/dbraw/zinc/61/25/86/1021612586.db2.gz XMYDJRKYZGDQHQ-CQSZACIVSA-N 1 0 324.471 3.758 20 5 DHBDRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000850578155 1021618513 /nfs/dbraw/zinc/61/85/13/1021618513.db2.gz JOIPEUOEAADVOA-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@@H](Cc1ccccn1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925464528 1021781664 /nfs/dbraw/zinc/78/16/64/1021781664.db2.gz FBAZIVYOHVQIEV-HNNXBMFYSA-N 1 0 313.401 3.533 20 5 DHBDRO Cc1nc(C)c([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000062726372 1021825042 /nfs/dbraw/zinc/82/50/42/1021825042.db2.gz HHKBIUASZIOFKC-SNVBAGLBSA-N 1 0 305.403 3.561 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000619747736 1021885778 /nfs/dbraw/zinc/88/57/78/1021885778.db2.gz DVRASOIUBAMRIE-UHFFFAOYSA-N 1 0 310.703 3.926 20 5 DHBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000619782607 1021897131 /nfs/dbraw/zinc/89/71/31/1021897131.db2.gz GDVPLFOZSPXAFM-GFCCVEGCSA-N 1 0 306.387 3.776 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000851806410 1022009280 /nfs/dbraw/zinc/00/92/80/1022009280.db2.gz OTVZOKLQOYOSRQ-MRXNPFEDSA-N 1 0 300.333 3.551 20 5 DHBDRO C[C@H](CCc1ccco1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000538300838 1033027686 /nfs/dbraw/zinc/02/76/86/1033027686.db2.gz GQRIVAXRURDMCN-BTKRWWFXSA-N 1 0 300.358 3.812 20 5 DHBDRO CC[C@H](C)[C@@H](C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776583134 1022096364 /nfs/dbraw/zinc/09/63/64/1022096364.db2.gz XQHNEDYDKVHNOY-AHIWAGSCSA-N 1 0 306.406 3.527 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000776581644 1022100871 /nfs/dbraw/zinc/10/08/71/1022100871.db2.gz FSUXUVVQWQLHBY-QGZVFWFLSA-N 1 0 318.417 3.675 20 5 DHBDRO CC(C)CC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587601 1022101804 /nfs/dbraw/zinc/10/18/04/1022101804.db2.gz XHCKMDUGYZMPJM-DOTOQJQBSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000183339343 1022102319 /nfs/dbraw/zinc/10/23/19/1022102319.db2.gz LGLAUDVMJGILIK-AWEZNQCLSA-N 1 0 314.385 3.672 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852598750 1022147805 /nfs/dbraw/zinc/14/78/05/1022147805.db2.gz YNXOJINPNQGFSP-SUMWQHHRSA-N 1 0 322.380 3.515 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCSC(F)(F)F)c(Cl)c1 ZINC000183497810 1022160760 /nfs/dbraw/zinc/16/07/60/1022160760.db2.gz AXSFYHAAGITCLN-UHFFFAOYSA-N 1 0 314.716 3.591 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cccc1C(F)(F)F ZINC001168979538 1022197345 /nfs/dbraw/zinc/19/73/45/1022197345.db2.gz ZDAHVCZNUHLRPK-DGCLKSJQSA-N 1 0 316.323 3.549 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)C1 ZINC001168984760 1022198901 /nfs/dbraw/zinc/19/89/01/1022198901.db2.gz AEWSXAAJMLVVHW-UCWSCHQOSA-N 1 0 314.429 3.604 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CCCC2)C1 ZINC001168984312 1022199131 /nfs/dbraw/zinc/19/91/31/1022199131.db2.gz LYFGGOSZMJOYSN-FHLIZLRMSA-N 1 0 302.418 3.953 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2c2ccccc2)C1 ZINC001168984756 1022199621 /nfs/dbraw/zinc/19/96/21/1022199621.db2.gz AEWSXAAJMLVVHW-JUAVELKISA-N 1 0 314.429 3.604 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC001168958763 1022202098 /nfs/dbraw/zinc/20/20/98/1022202098.db2.gz PGWWUXOKDDXLPS-UWVGGRQHSA-N 1 0 303.189 3.528 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001168967155 1022203390 /nfs/dbraw/zinc/20/33/90/1022203390.db2.gz NTOTVZUHONCDQO-DPIZWPKJSA-N 1 0 306.450 3.626 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC001168968181 1022203632 /nfs/dbraw/zinc/20/36/32/1022203632.db2.gz XHCBNNQHOAJROW-GXSJLCMTSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001168966318 1022203919 /nfs/dbraw/zinc/20/39/19/1022203919.db2.gz HYJSYKMUWCNANG-KUQKPQIMSA-N 1 0 302.418 3.748 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC001168968383 1022205947 /nfs/dbraw/zinc/20/59/47/1022205947.db2.gz YLEXYJDLCSUWIZ-PMUMKWKESA-N 1 0 302.418 3.661 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC001168968384 1022206017 /nfs/dbraw/zinc/20/60/17/1022206017.db2.gz YLEXYJDLCSUWIZ-SUNYJGFJSA-N 1 0 302.418 3.661 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CCCC2)C1 ZINC001169002708 1022210657 /nfs/dbraw/zinc/21/06/57/1022210657.db2.gz LYFGGOSZMJOYSN-QGTPRVQTSA-N 1 0 302.418 3.953 20 5 DHBDRO CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038911 1022221475 /nfs/dbraw/zinc/22/14/75/1022221475.db2.gz LGCIPCDGLCNJGR-VVLHAWIVSA-N 1 0 312.454 3.695 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](Cc2ccccn2)C2CCCCC2)C1 ZINC001169039126 1022222614 /nfs/dbraw/zinc/22/26/14/1022222614.db2.gz NMNXDPBJGSETAA-CRAIPNDOSA-N 1 0 317.433 3.662 20 5 DHBDRO C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025298 1022228241 /nfs/dbraw/zinc/22/82/41/1022228241.db2.gz YLPBGMNUDMRFDE-PWSUYJOCSA-N 1 0 317.216 3.871 20 5 DHBDRO Cc1cc(C)cc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169046715 1022229495 /nfs/dbraw/zinc/22/94/95/1022229495.db2.gz MGEKNWYCNNRAKY-JQHSSLGASA-N 1 0 302.418 3.886 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC001169026000 1022229764 /nfs/dbraw/zinc/22/97/64/1022229764.db2.gz KKOHYJVBJBOJDS-WQVCFCJDSA-N 1 0 308.809 3.922 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](CCc3ccccc3)C2)C1 ZINC001169057614 1022234600 /nfs/dbraw/zinc/23/46/00/1022234600.db2.gz WFVGQKAHEGNMBP-OTWHNJEPSA-N 1 0 316.445 3.777 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000853240800 1022240938 /nfs/dbraw/zinc/24/09/38/1022240938.db2.gz MJBGLMUCOVODPZ-SECBINFHSA-N 1 0 319.327 3.806 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](CC[C@@H]1CCCCO1)C1CC1 ZINC000347480634 1022270434 /nfs/dbraw/zinc/27/04/34/1022270434.db2.gz FPPIQYGTJNXENZ-INIZCTEOSA-N 1 0 304.390 3.518 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])s2)c1 ZINC000609560609 1022301278 /nfs/dbraw/zinc/30/12/78/1022301278.db2.gz VVSSROFEMOYRDT-UHFFFAOYSA-N 1 0 305.403 3.720 20 5 DHBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000853650021 1022303709 /nfs/dbraw/zinc/30/37/09/1022303709.db2.gz KDKDZEIQCSDVIY-UHFFFAOYSA-N 1 0 317.433 3.686 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000538401495 1033046223 /nfs/dbraw/zinc/04/62/23/1033046223.db2.gz GNIWYQDKEYOTMR-UHFFFAOYSA-N 1 0 300.358 3.542 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000609916444 1022381217 /nfs/dbraw/zinc/38/12/17/1022381217.db2.gz ORYMVCPBNPBEMB-HNNXBMFYSA-N 1 0 314.360 3.799 20 5 DHBDRO CCC1(CC)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001169421097 1022398527 /nfs/dbraw/zinc/39/85/27/1022398527.db2.gz XIFSRRYEJVXUJA-UHFFFAOYSA-N 1 0 321.377 3.905 20 5 DHBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001169553363 1022448192 /nfs/dbraw/zinc/44/81/92/1022448192.db2.gz CNWDZKXQXNFYDY-RHSMWYFYSA-N 1 0 306.406 3.922 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC001169567007 1022455018 /nfs/dbraw/zinc/45/50/18/1022455018.db2.gz LOMMJCXKRRXELL-SWLSCSKDSA-N 1 0 306.406 3.908 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000538412177 1033058795 /nfs/dbraw/zinc/05/87/95/1033058795.db2.gz JJBKAZYEXRIXOV-LXIYXOSZSA-N 1 0 312.369 3.638 20 5 DHBDRO [NH3+]Cc1ccn(-c2nc3c(ccc4ccccc43)nc2Cl)c1 ZINC001169725997 1022507812 /nfs/dbraw/zinc/50/78/12/1022507812.db2.gz QNXAZYSGCAPFSS-UHFFFAOYSA-N 1 0 308.772 3.686 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(C)c([N+](=O)[O-])cn1 ZINC001169699596 1022510478 /nfs/dbraw/zinc/51/04/78/1022510478.db2.gz ZTBWWPHMRTVGAW-AWEZNQCLSA-N 1 0 312.373 3.538 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000616016679 1022622273 /nfs/dbraw/zinc/62/22/73/1022622273.db2.gz KEDHSVMBLBLJQA-CHWSQXEVSA-N 1 0 322.405 3.532 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000616152036 1022648961 /nfs/dbraw/zinc/64/89/61/1022648961.db2.gz CLSRULVGVQUUEZ-DHDCSXOGSA-N 1 0 311.385 3.834 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000767195611 1022660470 /nfs/dbraw/zinc/66/04/70/1022660470.db2.gz MYKAFHBOPRSBLW-CVEARBPZSA-N 1 0 324.808 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]3OCCC[C@H]13)CCCC2 ZINC000417316016 1022674014 /nfs/dbraw/zinc/67/40/14/1022674014.db2.gz AHHCXGKUCMNSLF-DDBAPUKQSA-N 1 0 316.401 3.519 20 5 DHBDRO CCOCCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417320541 1022683685 /nfs/dbraw/zinc/68/36/85/1022683685.db2.gz JYCXXHJHLSFPQZ-QGZVFWFLSA-N 1 0 306.406 3.769 20 5 DHBDRO Cc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000767374612 1022699636 /nfs/dbraw/zinc/69/96/36/1022699636.db2.gz VJRKHTDUEBBNGU-UHFFFAOYSA-N 1 0 302.374 3.917 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CC(C)C ZINC000417387342 1022716947 /nfs/dbraw/zinc/71/69/47/1022716947.db2.gz ZAPLVGDQUZQEBN-HOCLYGCPSA-N 1 0 308.422 3.567 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000768088826 1022879848 /nfs/dbraw/zinc/87/98/48/1022879848.db2.gz BXJRCQWSMBWQBR-OLZOCXBDSA-N 1 0 318.373 3.868 20 5 DHBDRO CCOc1cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000617201097 1022889069 /nfs/dbraw/zinc/88/90/69/1022889069.db2.gz FJAYOZXIIDBFDP-CQSZACIVSA-N 1 0 316.357 3.576 20 5 DHBDRO C[C@@H](NCC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000184503526 1022945308 /nfs/dbraw/zinc/94/53/08/1022945308.db2.gz IBGDRLGLWZZFRD-LSDHHAIUSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])ccc1Cl ZINC001167752570 1023034056 /nfs/dbraw/zinc/03/40/56/1023034056.db2.gz WKGZMTWPDFPBJS-GFCCVEGCSA-N 1 0 311.813 3.925 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001167753700 1023043704 /nfs/dbraw/zinc/04/37/04/1023043704.db2.gz PUSSGJRNVQDWJA-ZDUSSCGKSA-N 1 0 316.405 3.753 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000769795511 1023215570 /nfs/dbraw/zinc/21/55/70/1023215570.db2.gz KVBHXOBAQALPDN-JTQLQIEISA-N 1 0 316.386 3.692 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000769927659 1023248868 /nfs/dbraw/zinc/24/88/68/1023248868.db2.gz HVGAWIBDLJYOLS-UHFFFAOYSA-N 1 0 318.760 3.568 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC000770281773 1023290060 /nfs/dbraw/zinc/29/00/60/1023290060.db2.gz ADCYFHGBLUXXPR-ZJUUUORDSA-N 1 0 313.195 3.588 20 5 DHBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C)[NH+]1CCCC1 ZINC000110933447 1023311972 /nfs/dbraw/zinc/31/19/72/1023311972.db2.gz WPXLNCAAVMGTPF-INIZCTEOSA-N 1 0 320.437 3.611 20 5 DHBDRO CCC[NH+](CCC)CCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000108764598 1023585144 /nfs/dbraw/zinc/58/51/44/1023585144.db2.gz CFENFTVVBUFAOL-UHFFFAOYSA-N 1 0 321.421 3.744 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccc(F)cc1 ZINC000108816131 1023590944 /nfs/dbraw/zinc/59/09/44/1023590944.db2.gz WJKKIRNSXDCKMP-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO CO[C@H](C)C[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000538718785 1033147634 /nfs/dbraw/zinc/14/76/34/1033147634.db2.gz NMUURFNIMIRQGL-CQSZACIVSA-N 1 0 308.422 3.964 20 5 DHBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000111384299 1023695925 /nfs/dbraw/zinc/69/59/25/1023695925.db2.gz HWHIMWCQBJTJSK-INIZCTEOSA-N 1 0 320.414 3.574 20 5 DHBDRO CCCC[NH+](CCCC)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749941493 1023754690 /nfs/dbraw/zinc/75/46/90/1023754690.db2.gz PGROGRVFPHEQLJ-UHFFFAOYSA-N 1 0 319.409 3.508 20 5 DHBDRO CCC(CC)[N@H+](CCOC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746666080 1023779696 /nfs/dbraw/zinc/77/96/96/1023779696.db2.gz INKWEBXTNRDRNY-UHFFFAOYSA-N 1 0 314.813 3.885 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000136891642 1023781913 /nfs/dbraw/zinc/78/19/13/1023781913.db2.gz QSYQACRTTJGJDV-CABCVRRESA-N 1 0 318.398 3.527 20 5 DHBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCOCC1 ZINC000787331793 1023783155 /nfs/dbraw/zinc/78/31/55/1023783155.db2.gz GSUDJFNHUHKYMY-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000787308492 1023785798 /nfs/dbraw/zinc/78/57/98/1023785798.db2.gz SEDSLYPLNJMGHG-HIFRSBDPSA-N 1 0 312.410 3.888 20 5 DHBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H](C)C(C)C ZINC000112658110 1023815309 /nfs/dbraw/zinc/81/53/09/1023815309.db2.gz QGNPTAGYSZOWLO-CQSZACIVSA-N 1 0 321.421 3.598 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1F ZINC000788480115 1023892082 /nfs/dbraw/zinc/89/20/82/1023892082.db2.gz HYAHATRIJXIZLI-HNNXBMFYSA-N 1 0 322.380 3.658 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788585447 1023910391 /nfs/dbraw/zinc/91/03/91/1023910391.db2.gz VHXNTUOHBXOKPW-VIFPVBQESA-N 1 0 323.755 3.820 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000788595430 1023911177 /nfs/dbraw/zinc/91/11/77/1023911177.db2.gz TYCPWRICZBOKCU-RYUDHWBXSA-N 1 0 317.364 3.770 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788806946 1023936723 /nfs/dbraw/zinc/93/67/23/1023936723.db2.gz QOPMOAYBOCFILY-LBPRGKRZSA-N 1 0 322.368 3.576 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cccc1[N+](=O)[O-] ZINC000788778661 1023937698 /nfs/dbraw/zinc/93/76/98/1023937698.db2.gz UAHNTLRAHCBBEN-ZDUSSCGKSA-N 1 0 317.776 3.729 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788822286 1023940732 /nfs/dbraw/zinc/94/07/32/1023940732.db2.gz LHIPDRDMNCXPDO-LBPRGKRZSA-N 1 0 324.384 3.552 20 5 DHBDRO COc1ccc(C[N@H+](Cc2cccs2)C2CC2)cc1[N+](=O)[O-] ZINC000051408283 1023995915 /nfs/dbraw/zinc/99/59/15/1023995915.db2.gz QEPMLELTUGUFGL-UHFFFAOYSA-N 1 0 318.398 3.830 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268748649 1024150966 /nfs/dbraw/zinc/15/09/66/1024150966.db2.gz IUPJGHKYPRKFSV-MEDUHNTESA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000268764624 1024156364 /nfs/dbraw/zinc/15/63/64/1024156364.db2.gz PKLVXJRFSLOIME-MLGOLLRUSA-N 1 0 319.430 3.610 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000268807112 1024166705 /nfs/dbraw/zinc/16/67/05/1024166705.db2.gz ACFYPBOTYIAQHU-ZWNOBZJWSA-N 1 0 320.311 3.603 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCC2(F)F)c(F)c1 ZINC000883266412 1024339435 /nfs/dbraw/zinc/33/94/35/1024339435.db2.gz ZOBKQGZZBAZFQC-LLVKDONJSA-N 1 0 302.296 3.649 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883355930 1024398664 /nfs/dbraw/zinc/39/86/64/1024398664.db2.gz AHWVATRECQRMAL-ZBFHGGJFSA-N 1 0 318.417 3.607 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883356150 1024399216 /nfs/dbraw/zinc/39/92/16/1024399216.db2.gz HBFCDCLIDCYILX-UKRRQHHQSA-N 1 0 304.390 3.656 20 5 DHBDRO CC(C)[C@H](C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270582654 1024405965 /nfs/dbraw/zinc/40/59/65/1024405965.db2.gz IXJKMSAMGJPZNS-LBPRGKRZSA-N 1 0 303.362 3.726 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000270614953 1024409185 /nfs/dbraw/zinc/40/91/85/1024409185.db2.gz DQBIQEIRPOWQDG-HOCLYGCPSA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC2(COC2)CC1 ZINC000883378850 1024411137 /nfs/dbraw/zinc/41/11/37/1024411137.db2.gz BODRINHITYJYOY-ZDUSSCGKSA-N 1 0 304.390 3.513 20 5 DHBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270631593 1024412390 /nfs/dbraw/zinc/41/23/90/1024412390.db2.gz MHODMACAZURGEI-XUJVJEKNSA-N 1 0 320.414 3.819 20 5 DHBDRO CCC[C@H]([NH2+]CC1(CF)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000453303571 1024451204 /nfs/dbraw/zinc/45/12/04/1024451204.db2.gz DIRMZRMHTAWMTB-INIZCTEOSA-N 1 0 324.396 3.792 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000453305687 1024453438 /nfs/dbraw/zinc/45/34/38/1024453438.db2.gz ACHMMXCMQHVXBH-GJZGRUSLSA-N 1 0 318.417 3.903 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000271495786 1024522706 /nfs/dbraw/zinc/52/27/06/1024522706.db2.gz LGHFNZRYCOMOBU-HOTGVXAUSA-N 1 0 314.389 3.826 20 5 DHBDRO COc1ccc(C[NH2+]C2CC(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000106469791 1024537233 /nfs/dbraw/zinc/53/72/33/1024537233.db2.gz TUSJISCSODZPSI-UHFFFAOYSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000271569360 1024544287 /nfs/dbraw/zinc/54/42/87/1024544287.db2.gz YYYVDVSFHYDZLO-JKDFXYPNSA-N 1 0 318.348 3.507 20 5 DHBDRO C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000271640798 1024556832 /nfs/dbraw/zinc/55/68/32/1024556832.db2.gz DSXDFTNJNXWSFN-CYBMUJFWSA-N 1 0 322.405 3.757 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CC(C)C)N(C)C ZINC000532202584 1024575956 /nfs/dbraw/zinc/57/59/56/1024575956.db2.gz XHFZFRTXRXKGFH-ZBFHGGJFSA-N 1 0 307.438 3.530 20 5 DHBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)c1ccccc1 ZINC000585754560 1024597243 /nfs/dbraw/zinc/59/72/43/1024597243.db2.gz QZYUKFGUSVWUOR-UHFFFAOYSA-N 1 0 324.384 3.838 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CSc3ccccc32)cc1 ZINC000317728922 1024633297 /nfs/dbraw/zinc/63/32/97/1024633297.db2.gz OERFYFOPQKXLOV-AWEZNQCLSA-N 1 0 314.410 3.616 20 5 DHBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000296044004 1024670686 /nfs/dbraw/zinc/67/06/86/1024670686.db2.gz NIKNWBPNPHCUPS-CHWSQXEVSA-N 1 0 302.378 3.531 20 5 DHBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000747075593 1024672769 /nfs/dbraw/zinc/67/27/69/1024672769.db2.gz DVTUXYSTVOBHKG-HNNXBMFYSA-N 1 0 316.405 3.803 20 5 DHBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000747075999 1024673555 /nfs/dbraw/zinc/67/35/55/1024673555.db2.gz HFUSHADEIPPNEI-MRXNPFEDSA-N 1 0 320.437 3.800 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)cc1[N+](=O)[O-] ZINC000349157606 1024683540 /nfs/dbraw/zinc/68/35/40/1024683540.db2.gz ZCKJJPXAPAKEGU-GOSISDBHSA-N 1 0 320.433 3.845 20 5 DHBDRO CC[N+](C)(C)Cc1ccccc1NCC(=O)Cc1ccccc1 ZINC001170186634 1024685135 /nfs/dbraw/zinc/68/51/35/1024685135.db2.gz UWGPMCQBHNGSCG-UHFFFAOYSA-N 1 0 311.449 3.507 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC001170305291 1024731583 /nfs/dbraw/zinc/73/15/83/1024731583.db2.gz ITHIZWYXBKBSLX-KGLIPLIRSA-N 1 0 308.422 3.949 20 5 DHBDRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170305567 1024731713 /nfs/dbraw/zinc/73/17/13/1024731713.db2.gz NGHJLOHOLDMLGR-MELADBBJSA-N 1 0 308.422 3.949 20 5 DHBDRO C[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000124672057 1024738673 /nfs/dbraw/zinc/73/86/73/1024738673.db2.gz LYEGHRZVGASCKP-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC001170306504 1024748236 /nfs/dbraw/zinc/74/82/36/1024748236.db2.gz WNKGMTPOMYVBCZ-UMVBOHGHSA-N 1 0 306.406 3.703 20 5 DHBDRO O=C(CC[NH+]1CCCCCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001170341689 1024756484 /nfs/dbraw/zinc/75/64/84/1024756484.db2.gz BSXXEYYPTFRGRG-UHFFFAOYSA-N 1 0 319.405 3.580 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC001170345768 1024757585 /nfs/dbraw/zinc/75/75/85/1024757585.db2.gz LOVSAVQHHGNPFL-GFCCVEGCSA-N 1 0 320.414 3.728 20 5 DHBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)C12CCC2 ZINC000349959756 1024772859 /nfs/dbraw/zinc/77/28/59/1024772859.db2.gz DMTSALHYHWJQHS-IRXDYDNUSA-N 1 0 318.417 3.683 20 5 DHBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279176952 1024775744 /nfs/dbraw/zinc/77/57/44/1024775744.db2.gz VGFXQKMCDVULGU-BLLLJJGKSA-N 1 0 320.433 3.704 20 5 DHBDRO CC[C@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000728895902 1024782481 /nfs/dbraw/zinc/78/24/81/1024782481.db2.gz DEBDONZSPJQAFX-AWEZNQCLSA-N 1 0 314.389 3.538 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000792880779 1024824508 /nfs/dbraw/zinc/82/45/08/1024824508.db2.gz VLYJHAJWVWROAW-DOMZBBRYSA-N 1 0 321.377 3.904 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000319960203 1024912785 /nfs/dbraw/zinc/91/27/85/1024912785.db2.gz HEIBWRQENOMSPF-QZTJIDSGSA-N 1 0 319.449 3.756 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](C(C)C)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000319960220 1024914367 /nfs/dbraw/zinc/91/43/67/1024914367.db2.gz HEIBWRQENOMSPF-ZWKOTPCHSA-N 1 0 319.449 3.756 20 5 DHBDRO Cc1cc(Cl)nc(CNCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000282041237 1024981063 /nfs/dbraw/zinc/98/10/63/1024981063.db2.gz OUXAKUQKEOJVGB-UHFFFAOYSA-N 1 0 305.765 3.550 20 5 DHBDRO C[C@@H]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000793346715 1024986576 /nfs/dbraw/zinc/98/65/76/1024986576.db2.gz JCJNTJQNDGBBQB-HUUCEWRRSA-N 1 0 317.433 3.589 20 5 DHBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793338186 1024998754 /nfs/dbraw/zinc/99/87/54/1024998754.db2.gz CYVFNUKEISMOCN-OAHLLOKOSA-N 1 0 312.797 3.639 20 5 DHBDRO Cc1cccc(C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)c1C ZINC000793572079 1025126960 /nfs/dbraw/zinc/12/69/60/1025126960.db2.gz RZSAVANWNCUBNX-UHFFFAOYSA-N 1 0 324.384 3.651 20 5 DHBDRO CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000353703790 1025206233 /nfs/dbraw/zinc/20/62/33/1025206233.db2.gz AWFQEDRGVYRWRM-CYBMUJFWSA-N 1 0 322.405 3.624 20 5 DHBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000354093510 1025348559 /nfs/dbraw/zinc/34/85/59/1025348559.db2.gz QELPOGDFIYMQHR-INIZCTEOSA-N 1 0 303.337 3.616 20 5 DHBDRO COCc1cccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897463642 1025365823 /nfs/dbraw/zinc/36/58/23/1025365823.db2.gz AVRQHZNNYNMMNR-CQSZACIVSA-N 1 0 314.385 3.635 20 5 DHBDRO C[C@@H](C[NH2+]Cc1scnc1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897463089 1025367158 /nfs/dbraw/zinc/36/71/58/1025367158.db2.gz AZAPQGJCVUXXKG-NSHDSACASA-N 1 0 317.414 3.822 20 5 DHBDRO Cc1ccc(CCC[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000897465193 1025369301 /nfs/dbraw/zinc/36/93/01/1025369301.db2.gz SPBJULNIQTVTKR-CQSZACIVSA-N 1 0 313.401 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1NC1CC([NH+]2CCCCC2)C1 ZINC000804681295 1025430393 /nfs/dbraw/zinc/43/03/93/1025430393.db2.gz IKGPZNIIYUQOAJ-UHFFFAOYSA-N 1 0 309.797 3.677 20 5 DHBDRO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000886020647 1025442742 /nfs/dbraw/zinc/44/27/42/1025442742.db2.gz FIIZWAPMVLHYGW-WMLDXEAASA-N 1 0 311.385 3.615 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804812674 1025486427 /nfs/dbraw/zinc/48/64/27/1025486427.db2.gz KQHXSIIHWGOHMQ-GXTWGEPZSA-N 1 0 323.824 3.620 20 5 DHBDRO CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136809404 1025487015 /nfs/dbraw/zinc/48/70/15/1025487015.db2.gz CKDHVVRWQKBAMB-SFHVURJKSA-N 1 0 314.385 3.540 20 5 DHBDRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136897220 1025491653 /nfs/dbraw/zinc/49/16/53/1025491653.db2.gz QTDYVAABKMXGEQ-GOSISDBHSA-N 1 0 314.385 3.539 20 5 DHBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000886147385 1025529980 /nfs/dbraw/zinc/52/99/80/1025529980.db2.gz RIICUQCLRQTDNW-LBPRGKRZSA-N 1 0 305.403 3.504 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000886201999 1025557674 /nfs/dbraw/zinc/55/76/74/1025557674.db2.gz YVCRVUBAOWDSLP-KZNAEPCWSA-N 1 0 323.396 3.758 20 5 DHBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000805840049 1025681660 /nfs/dbraw/zinc/68/16/60/1025681660.db2.gz WIRFSFKJFBBARA-UNEWFSDZSA-N 1 0 320.433 3.775 20 5 DHBDRO CC(F)(F)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453230915 1025784792 /nfs/dbraw/zinc/78/47/92/1025784792.db2.gz INDPKWBEYZMTGY-CQSZACIVSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000886773909 1025888875 /nfs/dbraw/zinc/88/88/75/1025888875.db2.gz DIFTZPVIWLYMIT-WMLDXEAASA-N 1 0 318.417 3.985 20 5 DHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000047253515 1026055997 /nfs/dbraw/zinc/05/59/97/1026055997.db2.gz AXTYBWNYULQLII-UMVBOHGHSA-N 1 0 321.396 3.576 20 5 DHBDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000089667904 1026060363 /nfs/dbraw/zinc/06/03/63/1026060363.db2.gz HCDLSAYRHOIMIY-PBHICJAKSA-N 1 0 314.385 3.942 20 5 DHBDRO COC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000089668780 1026060554 /nfs/dbraw/zinc/06/05/54/1026060554.db2.gz RWPFGZCKISRIDB-GUYCJALGSA-N 1 0 300.358 3.633 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289853366 1026201016 /nfs/dbraw/zinc/20/10/16/1026201016.db2.gz QKURNTJARZUOOC-DAXOMENPSA-N 1 0 304.390 3.545 20 5 DHBDRO CCC1CCC(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CC1 ZINC000356919991 1026225148 /nfs/dbraw/zinc/22/51/48/1026225148.db2.gz OSFGBAKDWYDUPW-UHFFFAOYSA-N 1 0 322.405 3.615 20 5 DHBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000419367605 1026272617 /nfs/dbraw/zinc/27/26/17/1026272617.db2.gz DHIBKNAFUPOZDT-UPJWGTAASA-N 1 0 315.373 3.726 20 5 DHBDRO COCC(C)(C)CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290097914 1026313733 /nfs/dbraw/zinc/31/37/33/1026313733.db2.gz KBUGZBWICDZEKX-RMKNXTFCSA-N 1 0 306.406 3.650 20 5 DHBDRO COc1ccc(C)cc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000320379299 1026315557 /nfs/dbraw/zinc/31/55/57/1026315557.db2.gz QRKGFQUVBNQTCJ-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000280111172 1026594828 /nfs/dbraw/zinc/59/48/28/1026594828.db2.gz OVQLIBLBQKVVHP-ABAIWWIYSA-N 1 0 306.431 3.660 20 5 DHBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810017404 1026664437 /nfs/dbraw/zinc/66/44/37/1026664437.db2.gz XAVVRTNYIUJUMK-HQJQHLMTSA-N 1 0 321.229 3.743 20 5 DHBDRO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000237157326 1026918924 /nfs/dbraw/zinc/91/89/24/1026918924.db2.gz WYNXBAHEYBXUFJ-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO COc1ccc(C[NH2+]Cc2cccc(C3CC3)c2)cc1[N+](=O)[O-] ZINC000421328138 1026955970 /nfs/dbraw/zinc/95/59/70/1026955970.db2.gz RYEVICCMHVAYFQ-UHFFFAOYSA-N 1 0 312.369 3.771 20 5 DHBDRO CO[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000811482180 1027007615 /nfs/dbraw/zinc/00/76/15/1027007615.db2.gz HABQTMXPVNVDKF-GFCCVEGCSA-N 1 0 321.204 3.662 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ncco2)CC1 ZINC000931451965 1027128112 /nfs/dbraw/zinc/12/81/12/1027128112.db2.gz XRPHIRRHKBXJQD-GFCCVEGCSA-N 1 0 301.346 3.523 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC4CCC3CC4)co2)cc1 ZINC000362341978 1027156706 /nfs/dbraw/zinc/15/67/06/1027156706.db2.gz PELSRIFGOMSMAO-UHFFFAOYSA-N 1 0 313.357 3.624 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000571962472 1027160161 /nfs/dbraw/zinc/16/01/61/1027160161.db2.gz MMYFBYLQJFSPFD-CQSZACIVSA-N 1 0 309.369 3.840 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCc2c[nH+]ccc21 ZINC000362561753 1027287527 /nfs/dbraw/zinc/28/75/27/1027287527.db2.gz UULMMXBMNKTNNY-UHFFFAOYSA-N 1 0 309.247 3.703 20 5 DHBDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000573998551 1027351251 /nfs/dbraw/zinc/35/12/51/1027351251.db2.gz YTBWRZDNUFKSGW-ZBFHGGJFSA-N 1 0 301.390 3.643 20 5 DHBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850526 1027446515 /nfs/dbraw/zinc/44/65/15/1027446515.db2.gz UTBAIRUGXXAXPI-RDTXWAMCSA-N 1 0 314.385 3.539 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC1CCOCC1 ZINC000562572134 1027504659 /nfs/dbraw/zinc/50/46/59/1027504659.db2.gz WZAAEWNMFKKERW-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423449242 1027548019 /nfs/dbraw/zinc/54/80/19/1027548019.db2.gz REUFQYQBIJWJNL-UTUOFQBUSA-N 1 0 319.430 3.710 20 5 DHBDRO CC(F)(F)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000296151187 1027557756 /nfs/dbraw/zinc/55/77/56/1027557756.db2.gz VWTBWPNSABELGV-JSGCOSHPSA-N 1 0 312.360 3.941 20 5 DHBDRO CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423499261 1027564345 /nfs/dbraw/zinc/56/43/45/1027564345.db2.gz JGIZQHMPOFXOJZ-ACJLOTCBSA-N 1 0 313.401 3.508 20 5 DHBDRO CCC[C@H](N[C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423533885 1027577118 /nfs/dbraw/zinc/57/71/18/1027577118.db2.gz UNPSDNPEBIVCLN-IRXDYDNUSA-N 1 0 305.422 3.543 20 5 DHBDRO COc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000158646340 1027600857 /nfs/dbraw/zinc/60/08/57/1027600857.db2.gz SQJIBFLULLKREE-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1cccnc1CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296413425 1027628383 /nfs/dbraw/zinc/62/83/83/1027628383.db2.gz KYOSHZUOKICNSM-HNNXBMFYSA-N 1 0 313.401 3.890 20 5 DHBDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000932921977 1027651059 /nfs/dbraw/zinc/65/10/59/1027651059.db2.gz JQEZVUXATUPUQB-MRXNPFEDSA-N 1 0 317.414 3.649 20 5 DHBDRO Cc1ncsc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000296596643 1027681081 /nfs/dbraw/zinc/68/10/81/1027681081.db2.gz VJBQLWBDMGTKCJ-NSHDSACASA-N 1 0 305.403 3.561 20 5 DHBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC1(C)C ZINC000577298470 1027744304 /nfs/dbraw/zinc/74/43/04/1027744304.db2.gz OECBDSUQLXKAOB-IAQYHMDHSA-N 1 0 301.390 3.643 20 5 DHBDRO CCCCC1([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000934207659 1027931111 /nfs/dbraw/zinc/93/11/11/1027931111.db2.gz SDGPCIZYRJQJCA-CYBMUJFWSA-N 1 0 319.405 3.543 20 5 DHBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ccsc1[N+](=O)[O-])CC2 ZINC000601170947 1028011175 /nfs/dbraw/zinc/01/11/75/1028011175.db2.gz WWBUNUXBQYKQIR-UHFFFAOYSA-N 1 0 323.462 3.747 20 5 DHBDRO Cc1ncc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000601299990 1028068609 /nfs/dbraw/zinc/06/86/09/1028068609.db2.gz RWZOOXHPYNCXSV-ZANVPECISA-N 1 0 303.387 3.698 20 5 DHBDRO Cc1cccnc1C1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368262926 1028327079 /nfs/dbraw/zinc/32/70/79/1028327079.db2.gz OBZXOVHSJVHPMU-AWEZNQCLSA-N 1 0 311.385 3.681 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449086762 1028327883 /nfs/dbraw/zinc/32/78/83/1028327883.db2.gz TVDQVRVTDOHNTG-KDOFPFPSSA-N 1 0 314.385 3.503 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368612169 1028385518 /nfs/dbraw/zinc/38/55/18/1028385518.db2.gz IFNQOFQYZLIGGG-ZBFHGGJFSA-N 1 0 311.385 3.615 20 5 DHBDRO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449141222 1028395973 /nfs/dbraw/zinc/39/59/73/1028395973.db2.gz KVGXZFUVAKQUIQ-AEGPPILISA-N 1 0 308.447 3.790 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000449159713 1028421640 /nfs/dbraw/zinc/42/16/40/1028421640.db2.gz IJXCTCHXXNLZEF-WCQYABFASA-N 1 0 305.403 3.723 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000449212703 1028448072 /nfs/dbraw/zinc/44/80/72/1028448072.db2.gz VDIDIHJQPZITBH-SCLBCKFNSA-N 1 0 311.385 3.662 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1cccnc1)C1CC1 ZINC000449212701 1028448624 /nfs/dbraw/zinc/44/86/24/1028448624.db2.gz VDIDIHJQPZITBH-ACJLOTCBSA-N 1 0 311.385 3.662 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000369327080 1028472752 /nfs/dbraw/zinc/47/27/52/1028472752.db2.gz OGEQRXFUQCTIDW-XJKSGUPXSA-N 1 0 304.390 3.513 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449252711 1028479037 /nfs/dbraw/zinc/47/90/37/1028479037.db2.gz ROGFLUGMFOWDPD-USXIJHARSA-N 1 0 320.433 3.709 20 5 DHBDRO Cc1ccnc([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000564582357 1028479450 /nfs/dbraw/zinc/47/94/50/1028479450.db2.gz CCPPDSMJDDGQQH-GJZGRUSLSA-N 1 0 311.385 3.849 20 5 DHBDRO C[C@@H]1CCCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000187961782 1028488295 /nfs/dbraw/zinc/48/82/95/1028488295.db2.gz VUNDXRQOUZSHHU-CYBMUJFWSA-N 1 0 315.373 3.872 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000010087123 1028555030 /nfs/dbraw/zinc/55/50/30/1028555030.db2.gz DVLFELKAXKUBPD-QGZVFWFLSA-N 1 0 312.369 3.941 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1 ZINC000565213321 1028557199 /nfs/dbraw/zinc/55/71/99/1028557199.db2.gz AHAMHXHEHHSZEU-HNNXBMFYSA-N 1 0 304.296 3.650 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCC1(F)F ZINC000449380065 1028602184 /nfs/dbraw/zinc/60/21/84/1028602184.db2.gz VCFRJNYTFWMGSK-OCCSQVGLSA-N 1 0 312.360 3.941 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000370681960 1028636595 /nfs/dbraw/zinc/63/65/95/1028636595.db2.gz LLYHPBKDPJWGCC-SDNTUTLCSA-N 1 0 318.417 3.757 20 5 DHBDRO CS[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000449444500 1028643102 /nfs/dbraw/zinc/64/31/02/1028643102.db2.gz AZHSOLGHTYPVCG-OAHLLOKOSA-N 1 0 318.398 3.792 20 5 DHBDRO CC(C)SCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566028011 1028667823 /nfs/dbraw/zinc/66/78/23/1028667823.db2.gz WUYKMZXTBHDJCX-HNNXBMFYSA-N 1 0 308.447 3.647 20 5 DHBDRO Cc1ncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496008 1028710894 /nfs/dbraw/zinc/71/08/94/1028710894.db2.gz FTHIYXHXDUZBLP-CQSZACIVSA-N 1 0 317.414 3.739 20 5 DHBDRO Cc1ccnc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000567542815 1028911387 /nfs/dbraw/zinc/91/13/87/1028911387.db2.gz XGVMQCHKPHAEMJ-ZDUSSCGKSA-N 1 0 324.384 3.673 20 5 DHBDRO CCCC[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000568743053 1029120479 /nfs/dbraw/zinc/12/04/79/1029120479.db2.gz OVXOMGIENSGHMS-AWEZNQCLSA-N 1 0 321.421 3.742 20 5 DHBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000190949984 1029222711 /nfs/dbraw/zinc/22/27/11/1029222711.db2.gz JRNXLQCVSOSLIZ-HIFRSBDPSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000374579087 1029394540 /nfs/dbraw/zinc/39/45/40/1029394540.db2.gz WWONQMJNZQVXET-LBRJOISOSA-N 1 0 318.417 3.757 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCCC2CCCC2)cc1 ZINC000819121953 1029492710 /nfs/dbraw/zinc/49/27/10/1029492710.db2.gz KRPYRYKEAHHVHE-QGZVFWFLSA-N 1 0 306.406 3.578 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000450676830 1029618322 /nfs/dbraw/zinc/61/83/22/1029618322.db2.gz QQBLWJSCRJNQDI-KBXCAEBGSA-N 1 0 314.385 3.503 20 5 DHBDRO Cc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783674862 1029824214 /nfs/dbraw/zinc/82/42/14/1029824214.db2.gz RFJBZBWGWYYXCC-UHFFFAOYSA-N 1 0 319.792 3.977 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000451479595 1029880713 /nfs/dbraw/zinc/88/07/13/1029880713.db2.gz NQPJXGKOUJYDHZ-BPLDGKMQSA-N 1 0 324.808 3.541 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC[C@H]3CCCCO3)C2)cc1 ZINC000451543120 1029906712 /nfs/dbraw/zinc/90/67/12/1029906712.db2.gz AWXCCVSRQMNJQW-SJLPKXTDSA-N 1 0 318.417 3.733 20 5 DHBDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000865700936 1029982170 /nfs/dbraw/zinc/98/21/70/1029982170.db2.gz CRNFHIZNONZVSU-QMMMGPOBSA-N 1 0 311.794 3.864 20 5 DHBDRO CC(C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000865746423 1030000103 /nfs/dbraw/zinc/00/01/03/1030000103.db2.gz NBKMHOYJKHOBPQ-GQSKFBFOSA-N 1 0 304.390 3.545 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000865762467 1030012395 /nfs/dbraw/zinc/01/23/95/1030012395.db2.gz OQQFWGOBZHHWGB-MLGOLLRUSA-N 1 0 324.808 3.543 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000924796327 1030190087 /nfs/dbraw/zinc/19/00/87/1030190087.db2.gz BKOKBMXOFCDLEG-WFASDCNBSA-N 1 0 315.373 3.800 20 5 DHBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000357793184 1030192004 /nfs/dbraw/zinc/19/20/04/1030192004.db2.gz GRJAFCZXXGBMFT-DLBZAZTESA-N 1 0 318.417 3.683 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000866335736 1030237773 /nfs/dbraw/zinc/23/77/73/1030237773.db2.gz LMPHYNIKQALCRX-QWRGUYRKSA-N 1 0 321.327 3.550 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC[C@@H]1CCCCO1 ZINC000866339267 1030239757 /nfs/dbraw/zinc/23/97/57/1030239757.db2.gz IBWSXBZULZWEMY-BBRMVZONSA-N 1 0 324.396 3.604 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H]1CCCS1 ZINC000866480119 1030315856 /nfs/dbraw/zinc/31/58/56/1030315856.db2.gz FJQLTAVZSYTGFW-AAEUAGOBSA-N 1 0 310.419 3.540 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000866537567 1030356751 /nfs/dbraw/zinc/35/67/51/1030356751.db2.gz PNJCZLJMVGSDDV-COXVUDFISA-N 1 0 318.417 3.617 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000866538838 1030358776 /nfs/dbraw/zinc/35/87/76/1030358776.db2.gz WKHGJRIJPPYVTD-KMFMINBZSA-N 1 0 318.417 3.617 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000866540079 1030360816 /nfs/dbraw/zinc/36/08/16/1030360816.db2.gz VDSLIPVZEONZLV-ZDUSSCGKSA-N 1 0 312.369 3.784 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000358252609 1030403813 /nfs/dbraw/zinc/40/38/13/1030403813.db2.gz OCYXUWJAKRZNTB-ULQDDVLXSA-N 1 0 306.406 3.983 20 5 DHBDRO CCC[C@H]([NH2+][C@H](CC)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000358252607 1030404895 /nfs/dbraw/zinc/40/48/95/1030404895.db2.gz OCYXUWJAKRZNTB-IKGGRYGDSA-N 1 0 306.406 3.983 20 5 DHBDRO CC[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000358310618 1030431683 /nfs/dbraw/zinc/43/16/83/1030431683.db2.gz YIDHITIRAMYWHC-WBAXXEDZSA-N 1 0 320.433 3.967 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000824751358 1030638641 /nfs/dbraw/zinc/63/86/41/1030638641.db2.gz UQJGGECTTOYLRF-GFCCVEGCSA-N 1 0 324.808 3.687 20 5 DHBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000291784091 1030640972 /nfs/dbraw/zinc/64/09/72/1030640972.db2.gz VGKHWWWORCRLHN-LKFCYVNXSA-N 1 0 324.427 3.510 20 5 DHBDRO C[C@@]1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000824964252 1030671042 /nfs/dbraw/zinc/67/10/42/1030671042.db2.gz PJYQIDOSCXPXDN-GFCCVEGCSA-N 1 0 303.189 3.658 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000558602705 1030676206 /nfs/dbraw/zinc/67/62/06/1030676206.db2.gz ZZBYNYWPHHWEMC-ZDUSSCGKSA-N 1 0 321.421 3.720 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)c2ccnn2C2CCC2)cccc1[N+](=O)[O-] ZINC000926267803 1030677686 /nfs/dbraw/zinc/67/76/86/1030677686.db2.gz ABDGBACXBOFKJE-CYBMUJFWSA-N 1 0 314.389 3.676 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)c2cc(O)cc(F)c2)cccc1[N+](=O)[O-] ZINC000926269637 1030681239 /nfs/dbraw/zinc/68/12/39/1030681239.db2.gz NHFKIQXVRQZSHU-NSHDSACASA-N 1 0 304.321 3.599 20 5 DHBDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000558790752 1030810390 /nfs/dbraw/zinc/81/03/90/1030810390.db2.gz OHAGLSWCGCTTTC-HNNXBMFYSA-N 1 0 318.398 3.838 20 5 DHBDRO C[C@@H]1Cc2cc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])ccc2O1 ZINC000926917930 1030992919 /nfs/dbraw/zinc/99/29/19/1030992919.db2.gz FCBMOPMSUCGXCV-PXAZEXFGSA-N 1 0 324.380 3.695 20 5 DHBDRO COc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000121950291 1031006566 /nfs/dbraw/zinc/00/65/66/1031006566.db2.gz GEEKDSPKCJTXGH-PXAZEXFGSA-N 1 0 312.369 3.942 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000926952523 1031015563 /nfs/dbraw/zinc/01/55/63/1031015563.db2.gz ZPUQZCOJFZTREL-ADEWGFFLSA-N 1 0 302.296 3.752 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000359559000 1031029654 /nfs/dbraw/zinc/02/96/54/1031029654.db2.gz OYNCHYPWQOEQOH-CXAGYDPISA-N 1 0 304.390 3.616 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCc2cccnc21 ZINC000927063299 1031063278 /nfs/dbraw/zinc/06/32/78/1031063278.db2.gz CWBXDZZDCSSBEK-CVEARBPZSA-N 1 0 309.369 3.644 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000927124382 1031106225 /nfs/dbraw/zinc/10/62/25/1031106225.db2.gz KOXRMGLOTCJDAP-BBRMVZONSA-N 1 0 316.401 3.664 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927161082 1031123696 /nfs/dbraw/zinc/12/36/96/1031123696.db2.gz OOHHMNITAFIBDA-BBRMVZONSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000927160534 1031124514 /nfs/dbraw/zinc/12/45/14/1031124514.db2.gz CRPIHKYHLHWGMB-BBRMVZONSA-N 1 0 304.390 3.656 20 5 DHBDRO COc1cc(C[NH2+]CC[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000360052926 1031259226 /nfs/dbraw/zinc/25/92/26/1031259226.db2.gz KWLKVQMQTRCOOA-STQMWFEESA-N 1 0 322.405 3.615 20 5 DHBDRO CC[N@H+](CCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000536678461 1031387695 /nfs/dbraw/zinc/38/76/95/1031387695.db2.gz BTBVVZBLBSVDLN-UHFFFAOYSA-N 1 0 320.414 3.528 20 5 DHBDRO CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000872027203 1031411662 /nfs/dbraw/zinc/41/16/62/1031411662.db2.gz CAIDMEHQOBCSKW-LLVKDONJSA-N 1 0 320.311 3.814 20 5 DHBDRO COCCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872029918 1031413758 /nfs/dbraw/zinc/41/37/58/1031413758.db2.gz VNCAUIVHALEWGM-GFCCVEGCSA-N 1 0 312.435 3.784 20 5 DHBDRO Cc1nc(C)c(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872033228 1031417168 /nfs/dbraw/zinc/41/71/68/1031417168.db2.gz AJYSQCBNBBUHNS-SNVBAGLBSA-N 1 0 323.393 3.701 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000872042607 1031428534 /nfs/dbraw/zinc/42/85/34/1031428534.db2.gz CJLJCRWXBNMQMH-AGIUHOORSA-N 1 0 324.446 3.782 20 5 DHBDRO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872048049 1031436192 /nfs/dbraw/zinc/43/61/92/1031436192.db2.gz WVSHZUBAIQUXIB-YWPYICTPSA-N 1 0 310.369 3.588 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536840131 1031451461 /nfs/dbraw/zinc/45/14/61/1031451461.db2.gz PZBSYJOZBUMNSP-VXGBXAGGSA-N 1 0 317.389 3.962 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000536842952 1031454661 /nfs/dbraw/zinc/45/46/61/1031454661.db2.gz BYRMKGSJSPSWKY-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000536856763 1031457147 /nfs/dbraw/zinc/45/71/47/1031457147.db2.gz GGVPMWXSNQGDMG-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000872063699 1031459165 /nfs/dbraw/zinc/45/91/65/1031459165.db2.gz SELPNPZRANHPHZ-IUODEOHRSA-N 1 0 312.797 3.543 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC(F)(F)F ZINC000872065175 1031460709 /nfs/dbraw/zinc/46/07/09/1031460709.db2.gz VCSHBCVKUKJLCQ-MRVPVSSYSA-N 1 0 324.324 3.504 20 5 DHBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872076634 1031472358 /nfs/dbraw/zinc/47/23/58/1031472358.db2.gz OSHNBXALYYRWCD-LERXQTSPSA-N 1 0 310.419 3.535 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872075228 1031472379 /nfs/dbraw/zinc/47/23/79/1031472379.db2.gz AQAABASSJPOXFJ-ZJUUUORDSA-N 1 0 302.296 3.820 20 5 DHBDRO C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872085123 1031480945 /nfs/dbraw/zinc/48/09/45/1031480945.db2.gz WMGGCRLBDPRSOL-PIGZYNQJSA-N 1 0 322.380 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1(CO)CCC1 ZINC000872084668 1031481190 /nfs/dbraw/zinc/48/11/90/1031481190.db2.gz UBEGLIUTAZTWQG-GFCCVEGCSA-N 1 0 324.446 3.520 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1[N+](=O)[O-] ZINC000872110196 1031499952 /nfs/dbraw/zinc/49/99/52/1031499952.db2.gz WQRZUHFWINHKQD-GUSZCTEKSA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000872129475 1031517675 /nfs/dbraw/zinc/51/76/75/1031517675.db2.gz AOWBRSXKQGXPCI-CQSZACIVSA-N 1 0 318.417 3.985 20 5 DHBDRO CC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000537291559 1031555914 /nfs/dbraw/zinc/55/59/14/1031555914.db2.gz QHJLXYBCXZSIPJ-ZDUSSCGKSA-N 1 0 318.377 3.559 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872260329 1031563734 /nfs/dbraw/zinc/56/37/34/1031563734.db2.gz MIXXLXARLOVYKY-KRWDZBQOSA-N 1 0 304.390 3.518 20 5 DHBDRO CCc1onc(C)c1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000929854326 1031627343 /nfs/dbraw/zinc/62/73/43/1031627343.db2.gz SRXFLNQZRHJADC-UHFFFAOYSA-N 1 0 315.373 3.618 20 5 DHBDRO Cc1c(C[NH2+]CCCc2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] ZINC000873024225 1031695389 /nfs/dbraw/zinc/69/53/89/1031695389.db2.gz KVEMQGCTNFHBKU-UHFFFAOYSA-N 1 0 324.384 3.502 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)C[C@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000873097354 1031709739 /nfs/dbraw/zinc/70/97/39/1031709739.db2.gz OOJHEZOCSYRBRF-ABAIWWIYSA-N 1 0 320.414 3.567 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873097669 1031709748 /nfs/dbraw/zinc/70/97/48/1031709748.db2.gz VKJFVPFUTPRTKX-FZKQIMNGSA-N 1 0 314.385 3.505 20 5 DHBDRO Cc1c(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000873131791 1031720023 /nfs/dbraw/zinc/72/00/23/1031720023.db2.gz VMTTWHYCAPLQEG-GFCCVEGCSA-N 1 0 303.189 3.577 20 5 DHBDRO Cc1c(C[NH2+]C2CCC3(CC3(F)F)CC2)cccc1[N+](=O)[O-] ZINC000873138240 1031721448 /nfs/dbraw/zinc/72/14/48/1031721448.db2.gz PBSCLXAVJZFKRB-UHFFFAOYSA-N 1 0 310.344 3.961 20 5 DHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000561133461 1031741087 /nfs/dbraw/zinc/74/10/87/1031741087.db2.gz PHUUZWAUXIILME-MJBXVCDLSA-N 1 0 321.396 3.576 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000873195146 1031752847 /nfs/dbraw/zinc/75/28/47/1031752847.db2.gz YFLNDXKCLVLIDY-AEFFLSMTSA-N 1 0 314.385 3.505 20 5 DHBDRO CC1(C)C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000897800904 1031842809 /nfs/dbraw/zinc/84/28/09/1031842809.db2.gz WJHFTAJWCYCNEK-BRLPQQTGSA-N 1 0 306.431 3.872 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000930554990 1031866503 /nfs/dbraw/zinc/86/65/03/1031866503.db2.gz RFJGZCGTWJZNJB-WDNDVIMCSA-N 1 0 306.406 3.623 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c(F)c1 ZINC000846106146 1031880864 /nfs/dbraw/zinc/88/08/64/1031880864.db2.gz YBOHLIDOIOWJBR-SNVBAGLBSA-N 1 0 321.179 3.798 20 5 DHBDRO CC1(C)CC2(CC([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])C2)CO1 ZINC000897973299 1031889397 /nfs/dbraw/zinc/88/93/97/1031889397.db2.gz QPOZVGPIDORHRV-ALCCZGGFSA-N 1 0 316.401 3.545 20 5 DHBDRO C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846192066 1031924102 /nfs/dbraw/zinc/92/41/02/1031924102.db2.gz WEAJIQPXUTZWJQ-LEWSCRJBSA-N 1 0 300.761 3.950 20 5 DHBDRO CCC[NH+](CCC)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777951127 1032018304 /nfs/dbraw/zinc/01/83/04/1032018304.db2.gz GUFJEGMXZJCDMC-UHFFFAOYSA-N 1 0 302.378 3.538 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898321592 1032020450 /nfs/dbraw/zinc/02/04/50/1032020450.db2.gz SWTNKFXFNVAEIT-SJLPKXTDSA-N 1 0 309.369 3.718 20 5 DHBDRO CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1=CCCCC1 ZINC000877408559 1033297229 /nfs/dbraw/zinc/29/72/29/1033297229.db2.gz OXZIQHKULPPXQD-UHFFFAOYSA-N 1 0 318.421 3.611 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000877464546 1033307387 /nfs/dbraw/zinc/30/73/87/1033307387.db2.gz PXEUJANIKATZQY-SFHVURJKSA-N 1 0 318.417 3.603 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)CC2 ZINC001172902520 1033436995 /nfs/dbraw/zinc/43/69/95/1033436995.db2.gz ZERVYFDDEFBFJT-HOJAQTOUSA-N 1 0 322.408 3.988 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H]3CCC[C@@H]3C1)CC2 ZINC001172907003 1033440307 /nfs/dbraw/zinc/44/03/07/1033440307.db2.gz ZLZCZNHTGWJVOB-ZTFGCOKTSA-N 1 0 314.429 3.964 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCCC[C@H](F)C1)CC2 ZINC001172907131 1033440721 /nfs/dbraw/zinc/44/07/21/1033440721.db2.gz DIJVDOPQBFAKEO-JKSUJKDBSA-N 1 0 306.381 3.666 20 5 DHBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908770 1033441060 /nfs/dbraw/zinc/44/10/60/1033441060.db2.gz NZDQDPOQTHRLKF-GOSISDBHSA-N 1 0 310.397 3.974 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H](F)CC1)CC2 ZINC001172907094 1033441095 /nfs/dbraw/zinc/44/10/95/1033441095.db2.gz CVZOVIHBJDQWJZ-HOTGVXAUSA-N 1 0 306.381 3.666 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)CC2 ZINC001172913765 1033461947 /nfs/dbraw/zinc/46/19/47/1033461947.db2.gz ZERVYFDDEFBFJT-YZGWKJHDSA-N 1 0 322.408 3.988 20 5 DHBDRO C[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H]1C ZINC001172917848 1033464346 /nfs/dbraw/zinc/46/43/46/1033464346.db2.gz XMKXZPZYBPNMLB-CPUCHLNUSA-N 1 0 302.418 3.963 20 5 DHBDRO CCC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)C ZINC000878007018 1033552234 /nfs/dbraw/zinc/55/22/34/1033552234.db2.gz HXXZLUOGSUAVNU-UHFFFAOYSA-N 1 0 318.377 3.513 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCCC[C@@H]2C)c1F ZINC001173190082 1033584263 /nfs/dbraw/zinc/58/42/63/1033584263.db2.gz QAZOKDWCAKDRLF-STQMWFEESA-N 1 0 324.396 3.938 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2ccoc2)c1F ZINC001173185664 1033584632 /nfs/dbraw/zinc/58/46/32/1033584632.db2.gz CGFXKSNLKHLSID-WDEREUQCSA-N 1 0 322.336 3.617 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)C2CCCC2)c1F ZINC001173190614 1033584760 /nfs/dbraw/zinc/58/47/60/1033584760.db2.gz ZRIAAEDLQNNRLN-NWDGAFQWSA-N 1 0 324.396 3.842 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cnc(C)s2)cc1[N+](=O)[O-] ZINC000153594980 1033585587 /nfs/dbraw/zinc/58/55/87/1033585587.db2.gz KXUYOQONOFVGAY-JTQLQIEISA-N 1 0 321.402 3.609 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](CC2CC2)C2CC2)c1F ZINC001173193153 1033586601 /nfs/dbraw/zinc/58/66/01/1033586601.db2.gz QVHFOENJCJVIQH-NSHDSACASA-N 1 0 322.380 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H]2C(C)C)c1F ZINC001173193144 1033587083 /nfs/dbraw/zinc/58/70/83/1033587083.db2.gz QRSPXWGLZCHHAT-OCCSQVGLSA-N 1 0 324.396 3.794 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCCC2(C)C)c1F ZINC001173193708 1033587670 /nfs/dbraw/zinc/58/76/70/1033587670.db2.gz VVAKMOKIFJCFJF-XHDPSFHLSA-N 1 0 324.396 3.842 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2ncccc2c1 ZINC001173214919 1033595965 /nfs/dbraw/zinc/59/59/65/1033595965.db2.gz ROSAAFDWQBKSPQ-CQSZACIVSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)cccc1F ZINC001173217303 1033597686 /nfs/dbraw/zinc/59/76/86/1033597686.db2.gz SFLRLCGTRFSWBD-LLVKDONJSA-N 1 0 306.312 3.594 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC2(C1)CC(F)(F)C2 ZINC001173222670 1033602454 /nfs/dbraw/zinc/60/24/54/1033602454.db2.gz YNFCRINSNMEENQ-NSHDSACASA-N 1 0 310.344 3.693 20 5 DHBDRO COC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001173222747 1033604011 /nfs/dbraw/zinc/60/40/11/1033604011.db2.gz YYHYKHGTPPPCPL-KSSFIOAISA-N 1 0 314.385 3.503 20 5 DHBDRO Cc1cc([C@H]2CCC[N@H+]2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173229219 1033605206 /nfs/dbraw/zinc/60/52/06/1033605206.db2.gz RPZJNGSXEIUDDN-YVEFUNNKSA-N 1 0 315.373 3.659 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1F ZINC001173227230 1033605751 /nfs/dbraw/zinc/60/57/51/1033605751.db2.gz OQOCDWGBYDQYMG-ZDUSSCGKSA-N 1 0 302.349 3.797 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)CC1CCOCC1 ZINC001173227509 1033605846 /nfs/dbraw/zinc/60/58/46/1033605846.db2.gz GPFGHQRJAYJSOY-CQSZACIVSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001173228816 1033606419 /nfs/dbraw/zinc/60/64/19/1033606419.db2.gz ZACOQKQCJQDSLH-KSSFIOAISA-N 1 0 311.385 3.758 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2c1cccc2C[NH3+] ZINC001173209184 1033612242 /nfs/dbraw/zinc/61/22/42/1033612242.db2.gz AIUXLSDKWAYIJA-CYBMUJFWSA-N 1 0 309.369 3.812 20 5 DHBDRO Cc1c(F)nccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000862219373 1033784341 /nfs/dbraw/zinc/78/43/41/1033784341.db2.gz KSXZPHNINNOXOE-UHFFFAOYSA-N 1 0 315.348 3.602 20 5 DHBDRO CCCc1cccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000479570653 1033810463 /nfs/dbraw/zinc/81/04/63/1033810463.db2.gz QHGFFSGVCANDJW-UHFFFAOYSA-N 1 0 314.385 3.846 20 5 DHBDRO C[C@@H](CCCC(F)(F)F)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000480167999 1034100664 /nfs/dbraw/zinc/10/06/64/1034100664.db2.gz MMDOJUWROSOHNH-NSHDSACASA-N 1 0 304.312 3.848 20 5 DHBDRO Cc1csc([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000880008871 1034180054 /nfs/dbraw/zinc/18/00/54/1034180054.db2.gz FEUVCIYZTSUUGC-QWHCGFSZSA-N 1 0 317.414 3.910 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880318356 1034294228 /nfs/dbraw/zinc/29/42/28/1034294228.db2.gz YCVSEPOFYWYQKR-NWDGAFQWSA-N 1 0 303.387 3.602 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880319662 1034295242 /nfs/dbraw/zinc/29/52/42/1034295242.db2.gz IFYUWWKOHPKTSL-STQMWFEESA-N 1 0 317.414 3.910 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319660 1034296196 /nfs/dbraw/zinc/29/61/96/1034296196.db2.gz IFYUWWKOHPKTSL-QWHCGFSZSA-N 1 0 317.414 3.910 20 5 DHBDRO CC[N@H+](CC1CCC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000794682725 1034340960 /nfs/dbraw/zinc/34/09/60/1034340960.db2.gz JRZOOETVLHKZDP-UHFFFAOYSA-N 1 0 314.389 3.538 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CCOC)cc1[N+](=O)[O-] ZINC000183932428 1034431160 /nfs/dbraw/zinc/43/11/60/1034431160.db2.gz VNPVVQIMNFIQML-CYBMUJFWSA-N 1 0 324.421 3.707 20 5 DHBDRO COc1cc(CN(C)[C@H](C)c2ccco2)c([N+](=O)[O-])cc1F ZINC000184252867 1034457470 /nfs/dbraw/zinc/45/74/70/1034457470.db2.gz DZHVVKYLEYZJRK-SNVBAGLBSA-N 1 0 308.309 3.529 20 5 DHBDRO Cc1c([C@H](C)NC[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000480904020 1034494621 /nfs/dbraw/zinc/49/46/21/1034494621.db2.gz HOWLAOYWOHSYMV-HOCLYGCPSA-N 1 0 319.449 3.676 20 5 DHBDRO C[C@H](NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000481028074 1034561572 /nfs/dbraw/zinc/56/15/72/1034561572.db2.gz XRUSFRYQSBPRCU-GJZGRUSLSA-N 1 0 319.449 3.756 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C)CN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000481183180 1034634850 /nfs/dbraw/zinc/63/48/50/1034634850.db2.gz QPBAFBTYTVQATP-FMKPAKJESA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000186571520 1034644311 /nfs/dbraw/zinc/64/43/11/1034644311.db2.gz VKJVZICMVSAFHE-JQWIXIFHSA-N 1 0 305.403 3.814 20 5 DHBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865460961 1034656512 /nfs/dbraw/zinc/65/65/12/1034656512.db2.gz SCVYTDDSGBMLFL-NSHDSACASA-N 1 0 313.348 3.676 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000481262387 1034698559 /nfs/dbraw/zinc/69/85/59/1034698559.db2.gz QGXZQXSEOPMRHS-YOEHRIQHSA-N 1 0 300.402 3.862 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000193049459 1034829631 /nfs/dbraw/zinc/82/96/31/1034829631.db2.gz MJQMJMKSCHXVHL-CJNGLKHVSA-N 1 0 304.390 3.519 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000481724206 1034951555 /nfs/dbraw/zinc/95/15/55/1034951555.db2.gz MFEDCRYDJBGETA-UHFFFAOYSA-N 1 0 324.380 3.521 20 5 DHBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000159854001 1035097208 /nfs/dbraw/zinc/09/72/08/1035097208.db2.gz OPYQIFAEESEBQP-GOSISDBHSA-N 1 0 311.385 3.944 20 5 DHBDRO Cc1c(C[N@@H+](CCc2nccs2)C(C)C)cccc1[N+](=O)[O-] ZINC000159863670 1035098814 /nfs/dbraw/zinc/09/88/14/1035098814.db2.gz XFCSUNJTRAMJAX-UHFFFAOYSA-N 1 0 319.430 3.813 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(F)cc1C ZINC001175992826 1035176001 /nfs/dbraw/zinc/17/60/01/1035176001.db2.gz ZPVJZXIDBUNASK-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CC[C@@H](C)C[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000482870841 1035190498 /nfs/dbraw/zinc/19/04/98/1035190498.db2.gz QBNIMXCQCGCLMR-CYBMUJFWSA-N 1 0 321.421 3.600 20 5 DHBDRO CCC[C@H]([NH2+]C[C@](C)(O)[C@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000482972986 1035207565 /nfs/dbraw/zinc/20/75/65/1035207565.db2.gz SKMRUEINNSBOIU-COXVUDFISA-N 1 0 308.422 3.823 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000483830596 1035302885 /nfs/dbraw/zinc/30/28/85/1035302885.db2.gz CWYJNVINFWNONA-KBRIMQKVSA-N 1 0 318.417 3.983 20 5 DHBDRO COC1CCC(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000484288121 1035328071 /nfs/dbraw/zinc/32/80/71/1035328071.db2.gz HSTNCWRLWNBMHH-HLIUYOAVSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1cccc(C)c1OCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001177411697 1035368873 /nfs/dbraw/zinc/36/88/73/1035368873.db2.gz ONZOUATVOCRGBK-UHFFFAOYSA-N 1 0 314.385 3.689 20 5 DHBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@@H+]1C ZINC000484640039 1035378913 /nfs/dbraw/zinc/37/89/13/1035378913.db2.gz PSFBRWVDQKPAAU-GXTWGEPZSA-N 1 0 321.421 3.667 20 5 DHBDRO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H]1CC=CCC1 ZINC000485101075 1035471831 /nfs/dbraw/zinc/47/18/31/1035471831.db2.gz BFPYRJXEBXIMAV-MRXNPFEDSA-N 1 0 318.417 3.708 20 5 DHBDRO COc1cc(CN2CC[C@H](C)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC001193208173 1035585523 /nfs/dbraw/zinc/58/55/23/1035585523.db2.gz BRPVSRHYROUHIA-NSHDSACASA-N 1 0 310.369 3.611 20 5 DHBDRO CO[C@@](C)(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CC1 ZINC001180177945 1035604966 /nfs/dbraw/zinc/60/49/66/1035604966.db2.gz JFTLBZMEQNDAFM-KRWDZBQOSA-N 1 0 306.406 3.620 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000190783132 1035637100 /nfs/dbraw/zinc/63/71/00/1035637100.db2.gz CZCZFFZOLMDJBQ-UHFFFAOYSA-N 1 0 312.369 3.673 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccccc2OC(F)F)cc1 ZINC000190883080 1035641326 /nfs/dbraw/zinc/64/13/26/1035641326.db2.gz PYCQURWYXVTQMZ-UHFFFAOYSA-N 1 0 322.311 3.529 20 5 DHBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001193648210 1035692953 /nfs/dbraw/zinc/69/29/53/1035692953.db2.gz DTQFDNOAMDVFAH-HUUCEWRRSA-N 1 0 306.406 3.922 20 5 DHBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089909528 1035794727 /nfs/dbraw/zinc/79/47/27/1035794727.db2.gz JUUXEONIOMPBTQ-TXEJJXNPSA-N 1 0 301.346 3.623 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1(C2CC2)CC1 ZINC000539656880 1035812680 /nfs/dbraw/zinc/81/26/80/1035812680.db2.gz OHGFGUDWXXULEI-CYBMUJFWSA-N 1 0 306.431 3.998 20 5 DHBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)[C@@H]1OC ZINC001194093282 1035844467 /nfs/dbraw/zinc/84/44/67/1035844467.db2.gz UDSRESFVIYQPKY-XZJROXQQSA-N 1 0 324.396 3.663 20 5 DHBDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC001194193310 1035871372 /nfs/dbraw/zinc/87/13/72/1035871372.db2.gz SMYRPZIGKZKIOO-CVEARBPZSA-N 1 0 306.406 3.668 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000539829625 1035884414 /nfs/dbraw/zinc/88/44/14/1035884414.db2.gz PUWYCCHLTAAPSH-FUHWJXTLSA-N 1 0 308.381 3.757 20 5 DHBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC001194384233 1035917289 /nfs/dbraw/zinc/91/72/89/1035917289.db2.gz JTECZFDDJRODNC-GJZGRUSLSA-N 1 0 324.808 3.638 20 5 DHBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000486022021 1036090414 /nfs/dbraw/zinc/09/04/14/1036090414.db2.gz XIUKCZSLFPTNJB-JQWIXIFHSA-N 1 0 317.311 3.508 20 5 DHBDRO CC[N@H+](Cc1ccc(C)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000540910988 1036185582 /nfs/dbraw/zinc/18/55/82/1036185582.db2.gz XNGZJPOUMLSSNZ-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000541568490 1036367151 /nfs/dbraw/zinc/36/71/51/1036367151.db2.gz SUDGBJUNFHTARZ-OCCSQVGLSA-N 1 0 324.446 3.930 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC001196254882 1036482855 /nfs/dbraw/zinc/48/28/55/1036482855.db2.gz PIYQUJVLVDQSDD-CQSZACIVSA-N 1 0 304.390 3.616 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000271833998 1036564127 /nfs/dbraw/zinc/56/41/27/1036564127.db2.gz RPAQTZUYBGRALC-LBRJOISOSA-N 1 0 316.401 3.511 20 5 DHBDRO CCC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001183335171 1036576328 /nfs/dbraw/zinc/57/63/28/1036576328.db2.gz HNCZYTRUOCQOEN-NSHDSACASA-N 1 0 321.204 3.542 20 5 DHBDRO C[N@H+](CC1CCCC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626829 1036595842 /nfs/dbraw/zinc/59/58/42/1036595842.db2.gz JVKTWDIJIJNNRI-UHFFFAOYSA-N 1 0 322.796 3.677 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)cccc1[N+](=O)[O-] ZINC000271895558 1036626441 /nfs/dbraw/zinc/62/64/41/1036626441.db2.gz UBQWMUBQQRCTLA-UKRRQHHQSA-N 1 0 320.433 3.743 20 5 DHBDRO O=[N+]([O-])c1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC001203572169 1036631399 /nfs/dbraw/zinc/63/13/99/1036631399.db2.gz WJMWLALMOYIMBY-UHFFFAOYSA-N 1 0 312.373 3.719 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3C[C@H]3C3CCCC3)nc2c1 ZINC001184388400 1036830062 /nfs/dbraw/zinc/83/00/62/1036830062.db2.gz QDCAGYVGQAHVDM-JSGCOSHPSA-N 1 0 315.373 3.652 20 5 DHBDRO CCOc1cc(C[N@H+](C)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000492373685 1036852048 /nfs/dbraw/zinc/85/20/48/1036852048.db2.gz FROLFPOJGLLPRT-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO CCOc1cc(C[N@H+]([C@H](C)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000492372296 1036852342 /nfs/dbraw/zinc/85/23/42/1036852342.db2.gz BHAKTDWDCBXTHT-GFCCVEGCSA-N 1 0 304.390 3.756 20 5 DHBDRO CCOc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000492631540 1036951369 /nfs/dbraw/zinc/95/13/69/1036951369.db2.gz PYPXGZOSNCPYLH-GASCZTMLSA-N 1 0 304.390 3.616 20 5 DHBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001184999292 1037000048 /nfs/dbraw/zinc/00/00/48/1037000048.db2.gz VZXBXZWVUJCIAW-JHJVBQTASA-N 1 0 309.385 3.512 20 5 DHBDRO Cc1ccc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001185158104 1037050197 /nfs/dbraw/zinc/05/01/97/1037050197.db2.gz MQHQEAAIUVZRTD-AWEZNQCLSA-N 1 0 305.422 3.826 20 5 DHBDRO C[C@H](CNc1cccc(C(F)(F)F)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC001185230302 1037071457 /nfs/dbraw/zinc/07/14/57/1037071457.db2.gz BRUPEIDDAKNEHV-SECBINFHSA-N 1 0 317.311 3.508 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCc2ccccc2)c1 ZINC000035368171 1037083366 /nfs/dbraw/zinc/08/33/66/1037083366.db2.gz RYTJKJWBLWPDMI-UHFFFAOYSA-N 1 0 304.777 3.971 20 5 DHBDRO CCCC[N@H+](C)CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001185313832 1037104548 /nfs/dbraw/zinc/10/45/48/1037104548.db2.gz QCJKTUMLJUJUDU-UHFFFAOYSA-N 1 0 319.327 3.757 20 5 DHBDRO Cc1cc(NCCc2ccncc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322470850 1037212939 /nfs/dbraw/zinc/21/29/39/1037212939.db2.gz OJQTZHVGSPDNSX-UHFFFAOYSA-N 1 0 308.341 3.501 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153741480 1037217449 /nfs/dbraw/zinc/21/74/49/1037217449.db2.gz OGVIVYYEYMFGSL-GJZGRUSLSA-N 1 0 317.433 3.571 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153741190 1037218704 /nfs/dbraw/zinc/21/87/04/1037218704.db2.gz OGVIVYYEYMFGSL-HUUCEWRRSA-N 1 0 317.433 3.571 20 5 DHBDRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000489068883 1037256203 /nfs/dbraw/zinc/25/62/03/1037256203.db2.gz OLYGXNAFLWTNFE-CYBMUJFWSA-N 1 0 300.358 3.991 20 5 DHBDRO COc1cc(C[N@@H+]2CCCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000489183501 1037302820 /nfs/dbraw/zinc/30/28/20/1037302820.db2.gz IWCAYEKSNWHCLA-UHFFFAOYSA-N 1 0 312.369 3.552 20 5 DHBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)Cc2ccccc2C1 ZINC000761528522 1037347856 /nfs/dbraw/zinc/34/78/56/1037347856.db2.gz WEJZEBTYPGFJJQ-UHFFFAOYSA-N 1 0 316.788 3.895 20 5 DHBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1(C)C ZINC000761527362 1037348955 /nfs/dbraw/zinc/34/89/55/1037348955.db2.gz SXGBWAOVNKCCAX-ZFWWWQNUSA-N 1 0 312.797 3.541 20 5 DHBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1(C)C ZINC000761527361 1037349659 /nfs/dbraw/zinc/34/96/59/1037349659.db2.gz SXGBWAOVNKCCAX-UKRRQHHQSA-N 1 0 312.797 3.541 20 5 DHBDRO Cc1ccsc1CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761526322 1037352064 /nfs/dbraw/zinc/35/20/64/1037352064.db2.gz KPMXVTXNOIBROU-UHFFFAOYSA-N 1 0 310.806 3.950 20 5 DHBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000194414667 1037488523 /nfs/dbraw/zinc/48/85/23/1037488523.db2.gz VSZWROZKWLWZMT-WBMJQRKESA-N 1 0 300.358 3.644 20 5 DHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC001186872264 1037509383 /nfs/dbraw/zinc/50/93/83/1037509383.db2.gz LQQSXBJBVNAUGU-CABCVRRESA-N 1 0 309.797 3.677 20 5 DHBDRO Cc1cc(F)ccc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000488056791 1037598134 /nfs/dbraw/zinc/59/81/34/1037598134.db2.gz VBXMLUDEDAJBDJ-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO CC(C)(C)OC1CC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000493997110 1037614518 /nfs/dbraw/zinc/61/45/18/1037614518.db2.gz SBSRINVHLSUDCZ-UHFFFAOYSA-N 1 0 320.433 3.853 20 5 DHBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000490538056 1037732875 /nfs/dbraw/zinc/73/28/75/1037732875.db2.gz DZEJVTNCBAHMEM-PXAZEXFGSA-N 1 0 300.333 3.927 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000154020449 1037772062 /nfs/dbraw/zinc/77/20/62/1037772062.db2.gz XHHIPQQAJONJQQ-INWMFGNUSA-N 1 0 322.405 3.602 20 5 DHBDRO CC(C)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000029724603 1037892900 /nfs/dbraw/zinc/89/29/00/1037892900.db2.gz YCKMCMRUSKSPOM-UHFFFAOYSA-N 1 0 318.377 3.511 20 5 DHBDRO CC[C@@H](C)[NH2+][C@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000588067103 1038224432 /nfs/dbraw/zinc/22/44/32/1038224432.db2.gz TXZYQDVJOGTZHZ-GHMZBOCLSA-N 1 0 309.391 3.791 20 5 DHBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000589113899 1038434323 /nfs/dbraw/zinc/43/43/23/1038434323.db2.gz SNEBBEIPGLYSME-LBPRGKRZSA-N 1 0 313.348 3.819 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000589196109 1038447870 /nfs/dbraw/zinc/44/78/70/1038447870.db2.gz CYWSDJZMMVWHRT-UHFFFAOYSA-N 1 0 311.385 3.678 20 5 DHBDRO CC[C@H]1CCCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589502096 1038488540 /nfs/dbraw/zinc/48/85/40/1038488540.db2.gz LWVYGEQTMWDFPE-HNNXBMFYSA-N 1 0 320.389 3.536 20 5 DHBDRO CC(C)CC[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001192159179 1038596847 /nfs/dbraw/zinc/59/68/47/1038596847.db2.gz OSHKFFNUGOASOZ-OAHLLOKOSA-N 1 0 306.406 3.874 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(CC(F)C4)C3)o2)cc1 ZINC000590969249 1038733591 /nfs/dbraw/zinc/73/35/91/1038733591.db2.gz AGUPGTWWRPYXJI-UHFFFAOYSA-N 1 0 316.332 3.789 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H]3CC3(F)F)o2)cc1 ZINC000598646210 1038806416 /nfs/dbraw/zinc/80/64/16/1038806416.db2.gz CWIXFNQYUWDWRR-LBPRGKRZSA-N 1 0 322.311 3.990 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CC[C@H]2CC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000598680030 1038822557 /nfs/dbraw/zinc/82/25/57/1038822557.db2.gz RAIZOLWSSUPSBW-HZMBPMFUSA-N 1 0 310.344 3.952 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC1(F)F)CCCC2 ZINC000598679004 1038822799 /nfs/dbraw/zinc/82/27/99/1038822799.db2.gz CKBCMRJBZQACRU-WFASDCNBSA-N 1 0 310.344 3.997 20 5 DHBDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593621597 1038885827 /nfs/dbraw/zinc/88/58/27/1038885827.db2.gz OQKCZFVAWRTRMC-HOCLYGCPSA-N 1 0 302.378 3.530 20 5 DHBDRO CCCOc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000058093552 1038917318 /nfs/dbraw/zinc/91/73/18/1038917318.db2.gz QDSWHYRKQHRKPB-UHFFFAOYSA-N 1 0 314.385 3.716 20 5 DHBDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000598990431 1038968943 /nfs/dbraw/zinc/96/89/43/1038968943.db2.gz DITNRVDIICBOJW-UHFFFAOYSA-N 1 0 313.401 3.674 20 5 DHBDRO C[C@H](NCC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000157451253 1038981077 /nfs/dbraw/zinc/98/10/77/1038981077.db2.gz YCEYDOFNNLHWJY-AWEZNQCLSA-N 1 0 305.422 3.510 20 5 DHBDRO CC[C@H](OCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000593664456 1038998989 /nfs/dbraw/zinc/99/89/89/1038998989.db2.gz NUXJVUGAFJGUHQ-SFHVURJKSA-N 1 0 314.385 3.852 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593715506 1039102383 /nfs/dbraw/zinc/10/23/83/1039102383.db2.gz JLUVXRGULYQHFM-QZTJIDSGSA-N 1 0 318.417 3.841 20 5 DHBDRO CC[C@H](C)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130657 1039123635 /nfs/dbraw/zinc/12/36/35/1039123635.db2.gz HPJHNYFFSDGBPR-XIRDDKMYSA-N 1 0 320.433 3.746 20 5 DHBDRO C[N@H+](CCC(C)(C)C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000592144206 1039137366 /nfs/dbraw/zinc/13/73/66/1039137366.db2.gz DATLUTBIGIXSRI-UHFFFAOYSA-N 1 0 318.377 3.513 20 5 DHBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592380623 1039183335 /nfs/dbraw/zinc/18/33/35/1039183335.db2.gz OJMNQEQMMALFDO-ABAIWWIYSA-N 1 0 318.398 3.838 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000603850880 1039186286 /nfs/dbraw/zinc/18/62/86/1039186286.db2.gz HIYDPYGJKWRZIY-KRWDZBQOSA-N 1 0 314.360 3.941 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000603859186 1039192029 /nfs/dbraw/zinc/19/20/29/1039192029.db2.gz LIKOXYCBCVDHFW-UHFFFAOYSA-N 1 0 300.333 3.899 20 5 DHBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C ZINC000573985073 1039192459 /nfs/dbraw/zinc/19/24/59/1039192459.db2.gz MPOFCJAKOXCHFV-UWVGGRQHSA-N 1 0 302.296 3.844 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553669 1039212643 /nfs/dbraw/zinc/21/26/43/1039212643.db2.gz YILPDCURSZKIRI-CFVMTHIKSA-N 1 0 306.431 3.934 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000604016862 1039285332 /nfs/dbraw/zinc/28/53/32/1039285332.db2.gz JMKYPXBCHRXPRI-KRWDZBQOSA-N 1 0 314.360 3.941 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000592401485 1039460831 /nfs/dbraw/zinc/46/08/31/1039460831.db2.gz XOTHHXFOEYMOOJ-DMDPSCGWSA-N 1 0 310.419 3.538 20 5 DHBDRO CC(C)OC1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594501116 1039801535 /nfs/dbraw/zinc/80/15/35/1039801535.db2.gz ICTOFJCKSMCJMJ-MQBCKMQZSA-N 1 0 318.417 3.908 20 5 DHBDRO COc1ccc(C)cc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594502796 1039803697 /nfs/dbraw/zinc/80/36/97/1039803697.db2.gz OPHUEJIYUMOMLV-MRXNPFEDSA-N 1 0 312.369 3.689 20 5 DHBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000168201791 1039806826 /nfs/dbraw/zinc/80/68/26/1039806826.db2.gz UGYHMDUEBNWQJN-QWRGUYRKSA-N 1 0 303.362 3.920 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594510345 1039813847 /nfs/dbraw/zinc/81/38/47/1039813847.db2.gz IUTSKECIYOJYTI-MORSLUCNSA-N 1 0 318.417 3.902 20 5 DHBDRO CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000594922921 1039930473 /nfs/dbraw/zinc/93/04/73/1039930473.db2.gz CGYBVTJACGSYRA-UHFFFAOYSA-N 1 0 300.358 3.592 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026292 1039951043 /nfs/dbraw/zinc/95/10/43/1039951043.db2.gz IJASOMHFLJLWRP-HIFRSBDPSA-N 1 0 304.390 3.689 20 5 DHBDRO COCc1csc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000594941341 1039958164 /nfs/dbraw/zinc/95/81/64/1039958164.db2.gz SEOFJZLJHROQKF-LBPRGKRZSA-N 1 0 320.414 3.962 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOC1CCCC1 ZINC000595017934 1039978420 /nfs/dbraw/zinc/97/84/20/1039978420.db2.gz XVMKKFABHLZNDJ-CYBMUJFWSA-N 1 0 322.405 3.603 20 5 DHBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000594989605 1040004517 /nfs/dbraw/zinc/00/45/17/1040004517.db2.gz VCRTYKLEPUCUHL-OLZOCXBDSA-N 1 0 324.446 3.872 20 5 DHBDRO COCc1csc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000594985750 1040007034 /nfs/dbraw/zinc/00/70/34/1040007034.db2.gz OUTSIYHZFWUOIN-XQRVVYSFSA-N 1 0 318.398 3.606 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1ccco1 ZINC000594996343 1040011857 /nfs/dbraw/zinc/01/18/57/1040011857.db2.gz AWNACSFCWFWHGF-SDNWHVSQSA-N 1 0 300.358 3.814 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595056871 1040022304 /nfs/dbraw/zinc/02/23/04/1040022304.db2.gz RYQZHCXMVXOPJX-CZUORRHYSA-N 1 0 306.406 3.759 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC(F)(F)F ZINC000595027165 1040036319 /nfs/dbraw/zinc/03/63/19/1040036319.db2.gz QMOQIPWBXVFPIN-SECBINFHSA-N 1 0 306.284 3.597 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC(F)(F)F ZINC000595027167 1040037671 /nfs/dbraw/zinc/03/76/71/1040037671.db2.gz QMOQIPWBXVFPIN-VIFPVBQESA-N 1 0 306.284 3.597 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000595031491 1040038836 /nfs/dbraw/zinc/03/88/36/1040038836.db2.gz HNDHXQGQIWHGST-WDEREUQCSA-N 1 0 321.402 3.514 20 5 DHBDRO CCC[C@H]([NH2+]CCC1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000595048760 1040050020 /nfs/dbraw/zinc/05/00/20/1040050020.db2.gz MUAFKISKFYBRIT-IMRCBTMISA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000595101943 1040066227 /nfs/dbraw/zinc/06/62/27/1040066227.db2.gz GOKISGJXBVJSFT-DEYYWGMASA-N 1 0 314.385 3.676 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000595103658 1040066333 /nfs/dbraw/zinc/06/63/33/1040066333.db2.gz NOQCJGKNEIUWGZ-PMUMKWKESA-N 1 0 314.385 3.676 20 5 DHBDRO C[C@@]1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000595078861 1040071989 /nfs/dbraw/zinc/07/19/89/1040071989.db2.gz GLWUPQXNXWTGAJ-HIFRSBDPSA-N 1 0 310.344 3.952 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000595088904 1040076572 /nfs/dbraw/zinc/07/65/72/1040076572.db2.gz LQGXRPLTFZJYML-PXAZEXFGSA-N 1 0 312.369 3.947 20 5 DHBDRO Cc1noc(C[N@@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000595507087 1040155749 /nfs/dbraw/zinc/15/57/49/1040155749.db2.gz JVWOEXZJMKVCGG-UXIGCNINSA-N 1 0 315.373 3.658 20 5 DHBDRO Cc1noc(C[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595539400 1040168865 /nfs/dbraw/zinc/16/88/65/1040168865.db2.gz LZIPYNLLYARWIT-HUUCEWRRSA-N 1 0 315.373 3.659 20 5 DHBDRO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000063282587 1040171501 /nfs/dbraw/zinc/17/15/01/1040171501.db2.gz SURXCOGBCSQXPN-UHFFFAOYSA-N 1 0 321.396 3.800 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000158229243 1040182183 /nfs/dbraw/zinc/18/21/83/1040182183.db2.gz ACCCDLSBCIFXPU-OIISXLGYSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC(C)(C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595641205 1040211256 /nfs/dbraw/zinc/21/12/56/1040211256.db2.gz FDTIHWKASOZVLU-ZDUSSCGKSA-N 1 0 321.421 3.646 20 5 DHBDRO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(F)CC1 ZINC000595818785 1040248677 /nfs/dbraw/zinc/24/86/77/1040248677.db2.gz JHYXIIWSXAJBDX-WHXUTIOJSA-N 1 0 316.323 3.879 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595790437 1040259199 /nfs/dbraw/zinc/25/91/99/1040259199.db2.gz QJAVGOUCLIMJCQ-AEFFLSMTSA-N 1 0 318.417 3.684 20 5 DHBDRO COc1cc(C[N@@H+]2CC3CC2(c2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000595908066 1040273245 /nfs/dbraw/zinc/27/32/45/1040273245.db2.gz MLWOUEFDHWHFDR-UHFFFAOYSA-N 1 0 324.380 3.725 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](CCC3CC3)CC3CC3)nc2c1 ZINC000595870404 1040275951 /nfs/dbraw/zinc/27/59/51/1040275951.db2.gz BNWLCQXBAPHUBV-UHFFFAOYSA-N 1 0 315.373 3.748 20 5 DHBDRO Cc1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000596062126 1040297042 /nfs/dbraw/zinc/29/70/42/1040297042.db2.gz FEDWCPUPPDLFGL-UHFFFAOYSA-N 1 0 304.312 3.971 20 5 DHBDRO Cc1nn(C[C@@H]2CCCC[N@H+]2C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000596266728 1040349840 /nfs/dbraw/zinc/34/98/40/1040349840.db2.gz UWXQEKHZXJKLAL-HNNXBMFYSA-N 1 0 316.405 3.516 20 5 DHBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000063738989 1040474959 /nfs/dbraw/zinc/47/49/59/1040474959.db2.gz OQCPOJDYKMLYFM-GFCCVEGCSA-N 1 0 311.813 3.781 20 5 DHBDRO Nc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596653179 1040522797 /nfs/dbraw/zinc/52/27/97/1040522797.db2.gz SCFSNXHYHXUBJC-RTBURBONSA-N 1 0 323.396 3.832 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000596649139 1040540084 /nfs/dbraw/zinc/54/00/84/1040540084.db2.gz BNWPRBBCMVUYDJ-MSOLQXFVSA-N 1 0 311.385 3.905 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccco2)CC1 ZINC000597180263 1040681392 /nfs/dbraw/zinc/68/13/92/1040681392.db2.gz PTXIQIBTAYOUGD-UHFFFAOYSA-N 1 0 300.358 3.876 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2CCc3ccccc3N2)c1 ZINC000593318387 1040716880 /nfs/dbraw/zinc/71/68/80/1040716880.db2.gz OLOBRGXWHBSHNI-MRXNPFEDSA-N 1 0 311.385 3.501 20 5 DHBDRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000122101533 1040789219 /nfs/dbraw/zinc/78/92/19/1040789219.db2.gz GPGIMXYDCXPUDK-ZIAGYGMSSA-N 1 0 308.422 3.709 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000602019000 1040865931 /nfs/dbraw/zinc/86/59/31/1040865931.db2.gz DEOQCNZRFCFHRO-DZGCQCFKSA-N 1 0 311.385 3.845 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSCC[C@H]1C ZINC000429773946 1040959527 /nfs/dbraw/zinc/95/95/27/1040959527.db2.gz RRZQZRVATRCTJN-CYBMUJFWSA-N 1 0 324.446 3.709 20 5 DHBDRO C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000122128822 1040983026 /nfs/dbraw/zinc/98/30/26/1040983026.db2.gz BYCBXEDJYIXQOZ-CABCVRRESA-N 1 0 305.422 3.510 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(F)F)nc1 ZINC000602649136 1041132383 /nfs/dbraw/zinc/13/23/83/1041132383.db2.gz HLWLHJQZQQYQSK-UHFFFAOYSA-N 1 0 321.327 3.602 20 5 DHBDRO CC(C)(F)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602712456 1041173213 /nfs/dbraw/zinc/17/32/13/1041173213.db2.gz WUMULGSDLLBQCU-UHFFFAOYSA-N 1 0 308.275 3.841 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC2(CCSCC2)CC1 ZINC000602738094 1041190198 /nfs/dbraw/zinc/19/01/98/1041190198.db2.gz ZISDEFSGCCRHTQ-UHFFFAOYSA-N 1 0 306.431 3.704 20 5 DHBDRO CC[C@H](c1ccccc1)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602903826 1041301814 /nfs/dbraw/zinc/30/18/14/1041301814.db2.gz STLLNYYLJYHNHB-MRXNPFEDSA-N 1 0 316.405 3.690 20 5 DHBDRO CCC(CC)(CC)[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000081156331 192230458 /nfs/dbraw/zinc/23/04/58/192230458.db2.gz CNCXMHJBUKCSBW-UHFFFAOYSA-N 1 0 318.377 3.703 20 5 DHBDRO CCOCCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000090722659 192927510 /nfs/dbraw/zinc/92/75/10/192927510.db2.gz WMMNTDBPOYUACV-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO CCCO[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093316821 193229739 /nfs/dbraw/zinc/22/97/39/193229739.db2.gz VJOCPNJQWAXQGF-ZGRWHYIRSA-N 1 0 318.417 3.889 20 5 DHBDRO CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000057364281 184036255 /nfs/dbraw/zinc/03/62/55/184036255.db2.gz ANQZYZRUCQOEHX-SFHVURJKSA-N 1 0 313.401 3.872 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000353480651 131109725 /nfs/dbraw/zinc/10/97/25/131109725.db2.gz CGWRCWGYHYDUQA-WMLDXEAASA-N 1 0 307.438 3.756 20 5 DHBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC(F)(F)CC1 ZINC000286731836 131247923 /nfs/dbraw/zinc/24/79/23/131247923.db2.gz HFFIFVKXOGXYPZ-UHFFFAOYSA-N 1 0 302.296 3.744 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289288954 131370760 /nfs/dbraw/zinc/37/07/60/131370760.db2.gz HABAVYMTCUJVFY-PBHICJAKSA-N 1 0 311.385 3.930 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289288957 131370942 /nfs/dbraw/zinc/37/09/42/131370942.db2.gz HABAVYMTCUJVFY-RHSMWYFYSA-N 1 0 311.385 3.930 20 5 DHBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000340527699 131943014 /nfs/dbraw/zinc/94/30/14/131943014.db2.gz XZJZEQYYFJXMIF-QWHCGFSZSA-N 1 0 315.373 3.719 20 5 DHBDRO C[C@@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000525870376 335071447 /nfs/dbraw/zinc/07/14/47/335071447.db2.gz XSYHEZBMSRUWAZ-ZDUSSCGKSA-N 1 0 318.348 3.506 20 5 DHBDRO C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000473530269 429714494 /nfs/dbraw/zinc/71/44/94/429714494.db2.gz YWFVEYGQHPRDBI-LBPRGKRZSA-N 1 0 316.405 3.531 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000172335096 332819694 /nfs/dbraw/zinc/81/96/94/332819694.db2.gz ZRVADTWZZXHCCX-QGZVFWFLSA-N 1 0 312.369 3.771 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000583944059 331478005 /nfs/dbraw/zinc/47/80/05/331478005.db2.gz BAEHWJIUYPNPCE-FZMZJTMJSA-N 1 0 310.344 3.997 20 5 DHBDRO CCOCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000179955229 331552970 /nfs/dbraw/zinc/55/29/70/331552970.db2.gz ZTQDOXNGTDNFIK-SFHVURJKSA-N 1 0 314.385 3.700 20 5 DHBDRO CC(C)CSCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000539049287 331686382 /nfs/dbraw/zinc/68/63/82/331686382.db2.gz NGYZFXQYVZEUAI-MRXNPFEDSA-N 1 0 322.474 3.895 20 5 DHBDRO CC(C)CCC[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000558574104 331925082 /nfs/dbraw/zinc/92/50/82/331925082.db2.gz ALIBYWHBPBIRIG-CQSZACIVSA-N 1 0 321.421 3.728 20 5 DHBDRO Cc1nsc(C)c1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584270308 332178248 /nfs/dbraw/zinc/17/82/48/332178248.db2.gz IDJRUPIZOYEGGB-SNVBAGLBSA-N 1 0 305.403 3.827 20 5 DHBDRO Cc1ccsc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566688852 332534722 /nfs/dbraw/zinc/53/47/22/332534722.db2.gz JUZLQBCPWGUWLD-AWEZNQCLSA-N 1 0 302.399 3.784 20 5 DHBDRO CCC[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000393588272 332576271 /nfs/dbraw/zinc/57/62/71/332576271.db2.gz YUVPYXJEEMKETH-HNNXBMFYSA-N 1 0 308.422 3.823 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000525694971 332618098 /nfs/dbraw/zinc/61/80/98/332618098.db2.gz BIHJATIZFNLXJX-SOUVJXGZSA-N 1 0 304.390 3.662 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC[C@H]1CCCCO1 ZINC000566984122 332626178 /nfs/dbraw/zinc/62/61/78/332626178.db2.gz XBVAWUIRGQDUCN-CZUORRHYSA-N 1 0 304.390 3.521 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000182019122 333036516 /nfs/dbraw/zinc/03/65/16/333036516.db2.gz QDSPLLRNYQOKHW-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1cc(NCc2cccc(CO)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000183645909 333059640 /nfs/dbraw/zinc/05/96/40/333059640.db2.gz PEUYPQAPOCMVCE-UHFFFAOYSA-N 1 0 323.352 3.556 20 5 DHBDRO CCC[C@@H](NCC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000314266802 333096778 /nfs/dbraw/zinc/09/67/78/333096778.db2.gz ZMQTYVKDKCPBRN-MRXNPFEDSA-N 1 0 307.438 3.613 20 5 DHBDRO CCC(CC)[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000314289404 333098695 /nfs/dbraw/zinc/09/86/95/333098695.db2.gz XIISTHCKZGQOQZ-SUMWQHHRSA-N 1 0 307.438 3.612 20 5 DHBDRO C[C@@H](NCC1([NH+](C)C)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000314358236 333105045 /nfs/dbraw/zinc/10/50/45/333105045.db2.gz WBYRZRBOXXNOCO-CQSZACIVSA-N 1 0 305.422 3.510 20 5 DHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000445893152 333231978 /nfs/dbraw/zinc/23/19/78/333231978.db2.gz HXRJSOZGIOSOJT-NSHDSACASA-N 1 0 320.311 3.540 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Cl)nc1)CCC2 ZINC000192699289 333291834 /nfs/dbraw/zinc/29/18/34/333291834.db2.gz GTVUQUFOURASFE-OAHLLOKOSA-N 1 0 317.776 3.810 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000186613110 333375417 /nfs/dbraw/zinc/37/54/17/333375417.db2.gz ZWZJQUUSVVNNMT-CYBMUJFWSA-N 1 0 314.385 3.673 20 5 DHBDRO C[C@@H]([NH2+]CCCN(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000320268842 333487013 /nfs/dbraw/zinc/48/70/13/333487013.db2.gz DONGCTZEUIRCOW-OAHLLOKOSA-N 1 0 313.401 3.772 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000531701767 333547834 /nfs/dbraw/zinc/54/78/34/333547834.db2.gz FZFFFINPUBHVLI-KDOFPFPSSA-N 1 0 314.385 3.942 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000563418170 333602667 /nfs/dbraw/zinc/60/26/67/333602667.db2.gz OXIPLTJAJCUROR-SUMWQHHRSA-N 1 0 324.380 3.738 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CO2 ZINC000563419503 333602915 /nfs/dbraw/zinc/60/29/15/333602915.db2.gz XTEAGYXWDLUHSE-HOTGVXAUSA-N 1 0 310.353 3.614 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000411943300 333714786 /nfs/dbraw/zinc/71/47/86/333714786.db2.gz IUMZJIIJGULSOE-BMIGLBTASA-N 1 0 312.797 3.541 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000414180176 333909370 /nfs/dbraw/zinc/90/93/70/333909370.db2.gz LASCXDXQPVFPME-DOMZBBRYSA-N 1 0 321.421 3.726 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000414165310 333916014 /nfs/dbraw/zinc/91/60/14/333916014.db2.gz CASPTJWAOPAODS-XQAQDONZSA-N 1 0 300.333 3.941 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)OCC1CC1 ZINC000414275525 333932223 /nfs/dbraw/zinc/93/22/23/333932223.db2.gz UEIYUWUUUWUOEP-AWEZNQCLSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000414529017 334008031 /nfs/dbraw/zinc/00/80/31/334008031.db2.gz PCBOGSVXOABZCA-DUMNWFOQSA-N 1 0 302.296 3.786 20 5 DHBDRO COc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000271652209 334025064 /nfs/dbraw/zinc/02/50/64/334025064.db2.gz JGSZYGMDIXLPCN-SNVBAGLBSA-N 1 0 321.764 3.503 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000343548994 335171356 /nfs/dbraw/zinc/17/13/56/335171356.db2.gz KTLOJJQRGAIZMN-QAPCUYQASA-N 1 0 320.433 3.824 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cscn1 ZINC000272261004 334031992 /nfs/dbraw/zinc/03/19/92/334031992.db2.gz APDORDRBNACJRR-VIFPVBQESA-N 1 0 311.794 3.598 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278983314 334104660 /nfs/dbraw/zinc/10/46/60/334104660.db2.gz DEPWSGPJMPYMLZ-WBMJQRKESA-N 1 0 318.417 3.864 20 5 DHBDRO CC(C)c1ccc([C@H]([NH3+])CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000414843138 334113087 /nfs/dbraw/zinc/11/30/87/334113087.db2.gz JLOXYGKLBFACGP-GOSISDBHSA-N 1 0 313.401 3.508 20 5 DHBDRO CC(C)c1ccc([C@@H]([NH3+])CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414849515 334121801 /nfs/dbraw/zinc/12/18/01/334121801.db2.gz RKIPWUSFDQPNMZ-SFHVURJKSA-N 1 0 313.401 3.508 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc2c1CCCN2 ZINC000415046408 334261234 /nfs/dbraw/zinc/26/12/34/334261234.db2.gz ZMRLZOPNXCBUQV-UHFFFAOYSA-N 1 0 311.385 3.551 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC2CCCCC2)c(Cl)c1 ZINC000111638494 334348112 /nfs/dbraw/zinc/34/81/12/334348112.db2.gz YMVUWIBIUWOGTG-UHFFFAOYSA-N 1 0 312.797 3.687 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(F)cc2)c(Cl)c1 ZINC000049963105 334359646 /nfs/dbraw/zinc/35/96/46/334359646.db2.gz JMCICNVGACNEQV-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531993936 334367312 /nfs/dbraw/zinc/36/73/12/334367312.db2.gz QIKZJTRWKPRFSZ-RHSMWYFYSA-N 1 0 314.385 3.596 20 5 DHBDRO CCC[C@H]([NH2+]Cc1ccccc1CO)c1cccc([N+](=O)[O-])c1 ZINC000305160428 334378168 /nfs/dbraw/zinc/37/81/68/334378168.db2.gz WVTMDBRXHFTCAB-SFHVURJKSA-N 1 0 314.385 3.718 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1ccc(Cl)cc1)C2 ZINC000535249347 334382421 /nfs/dbraw/zinc/38/24/21/334382421.db2.gz WYCVYVTXEOVPSD-UHFFFAOYSA-N 1 0 302.761 3.807 20 5 DHBDRO CC[C@@H]([NH2+]Cc1c(C)nc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000342254191 334520581 /nfs/dbraw/zinc/52/05/81/334520581.db2.gz BJCIBDPGJDROMC-MRXNPFEDSA-N 1 0 324.384 3.792 20 5 DHBDRO Cc1ncc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417311932 334705020 /nfs/dbraw/zinc/70/50/20/334705020.db2.gz MPZGGCXNTRIAJK-INIZCTEOSA-N 1 0 317.414 3.917 20 5 DHBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417345369 334705886 /nfs/dbraw/zinc/70/58/86/334705886.db2.gz UEQMAHGNYXVKKJ-QBIMZIAESA-N 1 0 318.417 3.910 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCSC1)CCCC2 ZINC000417325169 334708572 /nfs/dbraw/zinc/70/85/72/334708572.db2.gz DSCZBBYKNVTZAJ-MLGOLLRUSA-N 1 0 306.431 3.705 20 5 DHBDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000417377070 334765594 /nfs/dbraw/zinc/76/55/94/334765594.db2.gz RPPJLKLEHUESKY-VMGRFDJRSA-N 1 0 304.390 3.519 20 5 DHBDRO CCOCC(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000343972371 335208993 /nfs/dbraw/zinc/20/89/93/335208993.db2.gz DVMWUFHEAYWDJI-MRXNPFEDSA-N 1 0 306.406 3.625 20 5 DHBDRO CCc1nc(C)c([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000344069123 335214780 /nfs/dbraw/zinc/21/47/80/335214780.db2.gz UBZHAXHJOYJJJY-LLVKDONJSA-N 1 0 319.430 3.815 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344105775 335223620 /nfs/dbraw/zinc/22/36/20/335223620.db2.gz PZFDRTXTYPTIET-QGZVFWFLSA-N 1 0 314.360 3.944 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000344110999 335224115 /nfs/dbraw/zinc/22/41/15/335224115.db2.gz TXXOALZGRSINJF-BRWVUGGUSA-N 1 0 318.417 3.983 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000344284153 335236050 /nfs/dbraw/zinc/23/60/50/335236050.db2.gz CAFHTUDOPHCJBE-SFHVURJKSA-N 1 0 314.360 3.944 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCSC2)o1 ZINC000344713251 335274941 /nfs/dbraw/zinc/27/49/41/335274941.db2.gz CBYWDPVEUSYLBK-LBPRGKRZSA-N 1 0 318.398 3.840 20 5 DHBDRO Cc1nc2c(s1)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000331757839 336147434 /nfs/dbraw/zinc/14/74/34/336147434.db2.gz AQJJSKUKNXUDHB-CYBMUJFWSA-N 1 0 317.414 3.835 20 5 DHBDRO COCC[C@@H]1CCCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000332341290 336169215 /nfs/dbraw/zinc/16/92/15/336169215.db2.gz QWOFVUCYDRVDDJ-CABCVRRESA-N 1 0 306.406 3.794 20 5 DHBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000352609043 336226725 /nfs/dbraw/zinc/22/67/25/336226725.db2.gz QNDMCYUZANMGQY-CVEARBPZSA-N 1 0 322.380 3.513 20 5 DHBDRO CO[C@@H](C)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352685073 336230352 /nfs/dbraw/zinc/23/03/52/336230352.db2.gz RJGZHIOCRPYAQT-KBXCAEBGSA-N 1 0 314.385 3.699 20 5 DHBDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352780896 336236028 /nfs/dbraw/zinc/23/60/28/336236028.db2.gz WIGKLTUBNLKJNI-GFCCVEGCSA-N 1 0 312.435 3.567 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000324661938 336241677 /nfs/dbraw/zinc/24/16/77/336241677.db2.gz GRXGHKMFGXRMQG-CYBMUJFWSA-N 1 0 322.368 3.836 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1ccc(F)c(F)c1 ZINC000190281464 336262256 /nfs/dbraw/zinc/26/22/56/336262256.db2.gz RTGKEMUKBYURKV-HWKANZROSA-N 1 0 318.323 3.719 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000190297519 336262733 /nfs/dbraw/zinc/26/27/33/336262733.db2.gz SBESZHBQHCLAQQ-UHFFFAOYSA-N 1 0 306.312 3.514 20 5 DHBDRO O=[N+]([O-])c1ccccc1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000301057464 336287697 /nfs/dbraw/zinc/28/76/97/336287697.db2.gz BGAAXKTYMVAKEU-KRWDZBQOSA-N 1 0 311.385 3.844 20 5 DHBDRO CC(C)C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000301059750 336287802 /nfs/dbraw/zinc/28/78/02/336287802.db2.gz AFEOFHQUSYFHDR-HNNXBMFYSA-N 1 0 316.405 3.531 20 5 DHBDRO CC1CC[NH+](CCCCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301076420 336288643 /nfs/dbraw/zinc/28/86/43/336288643.db2.gz GWPFTICIIPKANM-UHFFFAOYSA-N 1 0 309.385 3.658 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000301186971 336293970 /nfs/dbraw/zinc/29/39/70/336293970.db2.gz PUCHMGQZNVIPKL-OAHLLOKOSA-N 1 0 315.373 3.745 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000301215384 336295249 /nfs/dbraw/zinc/29/52/49/336295249.db2.gz ZSRGKXZXILVFIH-CQSZACIVSA-N 1 0 323.824 3.703 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000301478902 336309395 /nfs/dbraw/zinc/30/93/95/336309395.db2.gz QNEPFHRSZHANFB-UHFFFAOYSA-N 1 0 321.396 3.943 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000301546377 336313773 /nfs/dbraw/zinc/31/37/73/336313773.db2.gz PMMPLAQWDNBMAH-UHFFFAOYSA-N 1 0 303.406 3.722 20 5 DHBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301606751 336317916 /nfs/dbraw/zinc/31/79/16/336317916.db2.gz NGNJIPKFPRFBRK-LBPRGKRZSA-N 1 0 311.813 3.638 20 5 DHBDRO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301970289 336340589 /nfs/dbraw/zinc/34/05/89/336340589.db2.gz DHPNWWIUAIUYNL-WMZOPIPTSA-N 1 0 311.385 3.761 20 5 DHBDRO Cc1ccc([C@@H](CNc2sccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000301977240 336340900 /nfs/dbraw/zinc/34/09/00/336340900.db2.gz DHYSVCQPLCCJRZ-CQSZACIVSA-N 1 0 305.403 3.680 20 5 DHBDRO C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302049792 336345474 /nfs/dbraw/zinc/34/54/74/336345474.db2.gz NFFKEHMOOAXYHN-KGLIPLIRSA-N 1 0 303.406 3.660 20 5 DHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302067077 336346601 /nfs/dbraw/zinc/34/66/01/336346601.db2.gz WNAAUNNKWOBGDD-OLZOCXBDSA-N 1 0 321.396 3.799 20 5 DHBDRO CC[C@H](C)[C@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302186006 336352960 /nfs/dbraw/zinc/35/29/60/336352960.db2.gz PGYFXIPXPOMTCL-APPDUMDISA-N 1 0 317.389 3.660 20 5 DHBDRO Cc1cc(N(C)CCc2ccccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302196647 336353464 /nfs/dbraw/zinc/35/34/64/336353464.db2.gz STMZRJAJLZANAU-UHFFFAOYSA-N 1 0 322.368 3.525 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000302743499 336367497 /nfs/dbraw/zinc/36/74/97/336367497.db2.gz DNLHJRGGYAHUTE-ZDUSSCGKSA-N 1 0 323.824 3.560 20 5 DHBDRO C[N@@H+]1CC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000302797410 336369442 /nfs/dbraw/zinc/36/94/42/336369442.db2.gz ANMPALCOCWECLY-CVEARBPZSA-N 1 0 315.348 3.591 20 5 DHBDRO C[N@@H+]1CC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000302797413 336369526 /nfs/dbraw/zinc/36/95/26/336369526.db2.gz ANMPALCOCWECLY-HZPDHXFCSA-N 1 0 315.348 3.591 20 5 DHBDRO CCC(CC)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000106480079 336390164 /nfs/dbraw/zinc/39/01/64/336390164.db2.gz MFDGGRZVCCVBSU-UHFFFAOYSA-N 1 0 316.405 3.521 20 5 DHBDRO CC[C@@H]([NH2+]CCc1c[nH]c2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC000358342516 336624958 /nfs/dbraw/zinc/62/49/58/336624958.db2.gz FBYSLMMCHXWAMT-QGZVFWFLSA-N 1 0 324.384 3.755 20 5 DHBDRO CC[C@H]([NH2+]CCc1c[nH]c2ncccc12)c1cccc([N+](=O)[O-])c1 ZINC000358342514 336624990 /nfs/dbraw/zinc/62/49/90/336624990.db2.gz FBYSLMMCHXWAMT-KRWDZBQOSA-N 1 0 324.384 3.755 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000123020984 337034077 /nfs/dbraw/zinc/03/40/77/337034077.db2.gz HPDPEWZEHOEVCH-UGSOOPFHSA-N 1 0 314.385 3.972 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000378134714 337066930 /nfs/dbraw/zinc/06/69/30/337066930.db2.gz PQSAWDYNNZKKAQ-UHFFFAOYSA-N 1 0 324.380 3.616 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC2(SC)CCC2)cc1[N+](=O)[O-] ZINC000193805155 337080311 /nfs/dbraw/zinc/08/03/11/337080311.db2.gz CEMSLSDZLFHZLM-LBPRGKRZSA-N 1 0 324.446 3.930 20 5 DHBDRO CSC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193817786 337080377 /nfs/dbraw/zinc/08/03/77/337080377.db2.gz DBCPPWPZZRJPMK-UKRRQHHQSA-N 1 0 320.458 3.791 20 5 DHBDRO CC(C)[NH2+]CCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000582545120 337103068 /nfs/dbraw/zinc/10/30/68/337103068.db2.gz NWVDBFMHJZQGFR-UHFFFAOYSA-N 1 0 321.424 3.506 20 5 DHBDRO CCOC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000582706076 337126880 /nfs/dbraw/zinc/12/68/80/337126880.db2.gz COXXENJRFSRUMP-HNNXBMFYSA-N 1 0 320.433 3.855 20 5 DHBDRO CCOC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000582706077 337127047 /nfs/dbraw/zinc/12/70/47/337127047.db2.gz COXXENJRFSRUMP-OAHLLOKOSA-N 1 0 320.433 3.855 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000174353485 337141005 /nfs/dbraw/zinc/14/10/05/337141005.db2.gz RWMRJIVZRWSEPX-UONOGXRCSA-N 1 0 324.446 3.709 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000174353496 337141040 /nfs/dbraw/zinc/14/10/40/337141040.db2.gz RWMRJIVZRWSEPX-KBPBESRZSA-N 1 0 324.446 3.709 20 5 DHBDRO Cc1cccc2c1OC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000514665706 337143935 /nfs/dbraw/zinc/14/39/35/337143935.db2.gz KXZGPXIYKLUSIK-VWTAQGJOSA-N 1 0 324.380 3.510 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000177496147 337156292 /nfs/dbraw/zinc/15/62/92/337156292.db2.gz GEVOSYSGYWMDGF-UHFFFAOYSA-N 1 0 318.417 3.766 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@@H]21 ZINC000183817707 337194757 /nfs/dbraw/zinc/19/47/57/337194757.db2.gz HPETYKFEYGWBOZ-YUELXQCFSA-N 1 0 324.808 3.541 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000191660701 337298432 /nfs/dbraw/zinc/29/84/32/337298432.db2.gz NLTOLJNTHTVXNM-KRWDZBQOSA-N 1 0 312.369 3.776 20 5 DHBDRO CC[C@H](O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000124333377 337404963 /nfs/dbraw/zinc/40/49/63/337404963.db2.gz YDKXDLOOVFTXHA-AWEZNQCLSA-N 1 0 320.414 3.574 20 5 DHBDRO COC1(C[C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000429419457 337476270 /nfs/dbraw/zinc/47/62/70/337476270.db2.gz AYPPGOHOZJAJSK-UONOGXRCSA-N 1 0 306.406 3.902 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)nc(C)c1 ZINC000421382356 337529334 /nfs/dbraw/zinc/52/93/34/337529334.db2.gz NCKYQOAGCKMXOK-QPEQYQDCSA-N 1 0 311.385 3.800 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000247141018 337557939 /nfs/dbraw/zinc/55/79/39/337557939.db2.gz QXDRXFORPQRICL-IAOVAPTHSA-N 1 0 314.389 3.626 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248789232 337567429 /nfs/dbraw/zinc/56/74/29/337567429.db2.gz IPWNBACPKRIAMS-BPQIPLTHSA-N 1 0 318.417 3.983 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000572015842 337585389 /nfs/dbraw/zinc/58/53/89/337585389.db2.gz QIEYYSWYXVWAKY-XJKSGUPXSA-N 1 0 316.401 3.521 20 5 DHBDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000421858420 337650782 /nfs/dbraw/zinc/65/07/82/337650782.db2.gz PSMZUVQNWGRQTH-VXGBXAGGSA-N 1 0 320.414 3.745 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000421873759 337657731 /nfs/dbraw/zinc/65/77/31/337657731.db2.gz HQWLANLBDSYREK-OCCSQVGLSA-N 1 0 306.431 3.779 20 5 DHBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000536874735 337788644 /nfs/dbraw/zinc/78/86/44/337788644.db2.gz GARSGLNGRGVDEJ-LBPRGKRZSA-N 1 0 305.403 3.725 20 5 DHBDRO C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000120476842 337876630 /nfs/dbraw/zinc/87/66/30/337876630.db2.gz SHISSCAYMVVSFK-CXAGYDPISA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3cc(F)ccc32)cc1 ZINC000123126002 337947237 /nfs/dbraw/zinc/94/72/37/337947237.db2.gz ZBMPPSVIDYZPCI-QGZVFWFLSA-N 1 0 300.333 3.554 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000088520095 338006866 /nfs/dbraw/zinc/00/68/66/338006866.db2.gz ZZMDRXMERCILRC-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000516247988 338008695 /nfs/dbraw/zinc/00/86/95/338008695.db2.gz AUIKCUYSSBBJLB-KGLIPLIRSA-N 1 0 306.406 3.759 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000426389399 338030035 /nfs/dbraw/zinc/03/00/35/338030035.db2.gz FDFXPWIBAVPHFZ-UELRPHRMSA-N 1 0 306.431 3.826 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC23CCCC3)c1 ZINC000428553638 338056070 /nfs/dbraw/zinc/05/60/70/338056070.db2.gz YDLWAZNTDDSROR-ZDUSSCGKSA-N 1 0 312.316 3.619 20 5 DHBDRO CC(C)(C)OC(=O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429239265 338074327 /nfs/dbraw/zinc/07/43/27/338074327.db2.gz TXTFZJBCGUCBMJ-UHFFFAOYSA-N 1 0 322.405 3.541 20 5 DHBDRO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H](C)CO ZINC000430087866 338095569 /nfs/dbraw/zinc/09/55/69/338095569.db2.gz VGGAWDAHNFPJLH-GFCCVEGCSA-N 1 0 320.414 3.526 20 5 DHBDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430235664 338102460 /nfs/dbraw/zinc/10/24/60/338102460.db2.gz FGXGBPKUYGUUCU-OAHLLOKOSA-N 1 0 324.446 3.711 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)CCC2 ZINC000430749368 338113550 /nfs/dbraw/zinc/11/35/50/338113550.db2.gz VKLIZZDWZUGFOQ-ABAIWWIYSA-N 1 0 310.344 3.997 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000433235965 338187151 /nfs/dbraw/zinc/18/71/51/338187151.db2.gz PCURGGFSYMIFNN-OGHNNQOOSA-N 1 0 318.417 3.722 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCc2cscn2)c2cc([N+](=O)[O-])ccc21 ZINC000433281984 338189112 /nfs/dbraw/zinc/18/91/12/338189112.db2.gz LLDKGOHQMHMNMP-OAHLLOKOSA-N 1 0 317.414 3.606 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000433304636 338190662 /nfs/dbraw/zinc/19/06/62/338190662.db2.gz NYFJCVLNZGNCNU-BBWFWOEESA-N 1 0 318.417 3.864 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000151933729 338195865 /nfs/dbraw/zinc/19/58/65/338195865.db2.gz YRIWHSGMPLBZDU-KDOFPFPSSA-N 1 0 313.401 3.548 20 5 DHBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOc1ccccc1 ZINC000434991444 338229146 /nfs/dbraw/zinc/22/91/46/338229146.db2.gz MPSNZVYHSNCVTR-CLFYSBASSA-N 1 0 312.369 3.619 20 5 DHBDRO Cc1c(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000437531580 338313000 /nfs/dbraw/zinc/31/30/00/338313000.db2.gz AORXFTOLMLNDDK-JKSUJKDBSA-N 1 0 306.431 3.763 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCCCOc2ccccc2)c1 ZINC000437784295 338321353 /nfs/dbraw/zinc/32/13/53/338321353.db2.gz CGFXEEYFFXHPES-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000439127823 338361899 /nfs/dbraw/zinc/36/18/99/338361899.db2.gz LFZZKPRNANRYLU-PXAZEXFGSA-N 1 0 317.364 3.837 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000194414923 338526643 /nfs/dbraw/zinc/52/66/43/338526643.db2.gz KFFVJXAJFAJWAC-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447528904 338554251 /nfs/dbraw/zinc/55/42/51/338554251.db2.gz JVISMZUDWMDAKG-QKPAOTATSA-N 1 0 320.437 3.691 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCCCCC1)CCC2 ZINC000447535001 338554840 /nfs/dbraw/zinc/55/48/40/338554840.db2.gz BVIMEPXNMOZYAW-KRWDZBQOSA-N 1 0 318.417 3.647 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C(C)(C)O1 ZINC000447598656 338561221 /nfs/dbraw/zinc/56/12/21/338561221.db2.gz IMCUFWSIOWHGAY-HOTGVXAUSA-N 1 0 318.417 3.908 20 5 DHBDRO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449058972 338589115 /nfs/dbraw/zinc/58/91/15/338589115.db2.gz NKBKVNRESVQSJS-KBPBESRZSA-N 1 0 302.374 3.730 20 5 DHBDRO C[C@H](Cc1cccs1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449076129 338591044 /nfs/dbraw/zinc/59/10/44/338591044.db2.gz SNZQQURFNPGKDQ-CHWSQXEVSA-N 1 0 304.415 3.808 20 5 DHBDRO Cc1csc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449116687 338594786 /nfs/dbraw/zinc/59/47/86/338594786.db2.gz MFCOHJJOFLGYES-ZYHUDNBSSA-N 1 0 305.403 3.642 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1scnc1C ZINC000449468879 338627781 /nfs/dbraw/zinc/62/77/81/338627781.db2.gz RFLXNKCVRFHFGP-WQLSENKSSA-N 1 0 317.414 3.595 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000449477004 338628747 /nfs/dbraw/zinc/62/87/47/338628747.db2.gz WBKDWZWRPVYUGG-OAHLLOKOSA-N 1 0 322.405 3.766 20 5 DHBDRO CCn1ccnc1[C@@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449563759 338637977 /nfs/dbraw/zinc/63/79/77/338637977.db2.gz YGPFWIRFEDIBSE-QLKUMGTLSA-N 1 0 314.389 3.565 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@H](c2cccs2)C1 ZINC000449617768 338641629 /nfs/dbraw/zinc/64/16/29/338641629.db2.gz ALFSGSTVXHTNEN-HIFRSBDPSA-N 1 0 318.398 3.666 20 5 DHBDRO Cc1ncsc1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453313611 338823091 /nfs/dbraw/zinc/82/30/91/338823091.db2.gz VWDMDYIGBKAUIA-HNNXBMFYSA-N 1 0 317.414 3.569 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453422588 338841153 /nfs/dbraw/zinc/84/11/53/338841153.db2.gz MUXLJIHMRDYSOX-GJZGRUSLSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459618790 339038687 /nfs/dbraw/zinc/03/86/87/339038687.db2.gz SZLPAJGPWQTQKP-ZBEGNZNMSA-N 1 0 302.378 3.530 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000459640527 339039784 /nfs/dbraw/zinc/03/97/84/339039784.db2.gz XAZJYHKADFHHBU-QNQQVFGPSA-N 1 0 304.390 3.544 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2c2ccccc2F)c(F)c1 ZINC000459657040 339040972 /nfs/dbraw/zinc/04/09/72/339040972.db2.gz MMESJQQKDPWCSF-XJKSGUPXSA-N 1 0 304.296 3.519 20 5 DHBDRO Cc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000461730688 339066103 /nfs/dbraw/zinc/06/61/03/339066103.db2.gz OIEDQCVEUBMDHC-UHFFFAOYSA-N 1 0 309.385 3.763 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000462829076 339092911 /nfs/dbraw/zinc/09/29/11/339092911.db2.gz WNACAJVHWHTYSW-LBPRGKRZSA-N 1 0 309.797 3.677 20 5 DHBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000463408266 339116835 /nfs/dbraw/zinc/11/68/35/339116835.db2.gz YLYCZPOUOGMXEL-DAXOMENPSA-N 1 0 306.406 3.838 20 5 DHBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1(C)C ZINC000464075897 339133407 /nfs/dbraw/zinc/13/34/07/339133407.db2.gz QPZSSGZTECDWSL-ISIQUDIPSA-N 1 0 318.417 3.790 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000464096394 339134351 /nfs/dbraw/zinc/13/43/51/339134351.db2.gz YWPMWDCRBHHLPI-HZPDHXFCSA-N 1 0 306.406 3.585 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000464493065 339143427 /nfs/dbraw/zinc/14/34/27/339143427.db2.gz KLPIYFGVLFORLW-LLVKDONJSA-N 1 0 310.369 3.801 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464772984 339152291 /nfs/dbraw/zinc/15/22/91/339152291.db2.gz KBLWHFQBFBNGSD-JKSUJKDBSA-N 1 0 308.447 3.743 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000464845771 339157311 /nfs/dbraw/zinc/15/73/11/339157311.db2.gz HFMFXSHOPUEXBA-ZIAGYGMSSA-N 1 0 304.390 3.614 20 5 DHBDRO C[C@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467835778 339247329 /nfs/dbraw/zinc/24/73/29/339247329.db2.gz YTVNYBRINDYHRD-GJZGRUSLSA-N 1 0 313.401 3.770 20 5 DHBDRO C[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000467857775 339247810 /nfs/dbraw/zinc/24/78/10/339247810.db2.gz BSDSPJYRFKJDKU-QLFBSQMISA-N 1 0 305.422 3.508 20 5 DHBDRO CC[C@H]1CCCC[N@@H+]1CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467867208 339248219 /nfs/dbraw/zinc/24/82/19/339248219.db2.gz KXEMBDQYWHGLSG-ZBFHGGJFSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(F)(F)F ZINC000468044239 339252502 /nfs/dbraw/zinc/25/25/02/339252502.db2.gz FMMKPOOAPZNAPY-MNOVXSKESA-N 1 0 304.312 3.846 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000468615886 339267151 /nfs/dbraw/zinc/26/71/51/339267151.db2.gz TYUAMQRYRAKVPC-RCBBPTIPSA-N 1 0 304.390 3.545 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000468622274 339267254 /nfs/dbraw/zinc/26/72/54/339267254.db2.gz TYVMFDIFEBJDKM-QCSNOBLSSA-N 1 0 318.417 3.791 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1F ZINC000468641586 339267774 /nfs/dbraw/zinc/26/77/74/339267774.db2.gz DZXFNKWYNZXSSP-UKTHLTGXSA-N 1 0 300.333 3.927 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1scnc1C ZINC000468643808 339267862 /nfs/dbraw/zinc/26/78/62/339267862.db2.gz UFMZOAOVCAZCRZ-IZZDOVSWSA-N 1 0 303.387 3.553 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccs1 ZINC000468650618 339267983 /nfs/dbraw/zinc/26/79/83/339267983.db2.gz ZZRYNZQZLQTZRD-RAXLEYEMSA-N 1 0 302.399 3.892 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CCO)CC(C)C ZINC000468735309 339269518 /nfs/dbraw/zinc/26/95/18/339269518.db2.gz SCEITVNWESUZPY-OBHPCNEJSA-N 1 0 320.433 3.632 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000468745950 339269688 /nfs/dbraw/zinc/26/96/88/339269688.db2.gz WZKPIXLSRWJCIK-HFQYIWAZSA-N 1 0 316.401 3.689 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCn2cccc2[C@H]1C ZINC000470169025 339312614 /nfs/dbraw/zinc/31/26/14/339312614.db2.gz AQVIKXUCLOLXJH-ATGUSINASA-N 1 0 311.385 3.876 20 5 DHBDRO CCC(CC)[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000470865664 339329448 /nfs/dbraw/zinc/32/94/48/339329448.db2.gz HITJEAIDZNKPBB-MRXNPFEDSA-N 1 0 320.437 3.611 20 5 DHBDRO CCC(CC)(CC)[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000471215685 339340225 /nfs/dbraw/zinc/34/02/25/339340225.db2.gz LLOKYGFMSOCUJV-UHFFFAOYSA-N 1 0 318.377 3.703 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473162735 339383369 /nfs/dbraw/zinc/38/33/69/339383369.db2.gz QAALWRSBNJFNHL-AUUYWEPGSA-N 1 0 324.380 3.787 20 5 DHBDRO CCc1cccc(F)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000475224332 339442315 /nfs/dbraw/zinc/44/23/15/339442315.db2.gz OLPYEKVCDKVNOB-UHFFFAOYSA-N 1 0 302.349 3.895 20 5 DHBDRO COC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000479416438 339533925 /nfs/dbraw/zinc/53/39/25/339533925.db2.gz YMIKTXFLSIRLBK-CLFYSBASSA-N 1 0 304.390 3.547 20 5 DHBDRO COC1CCC(C)(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000479450036 339535673 /nfs/dbraw/zinc/53/56/73/339535673.db2.gz HXJKXEZRAUYIKK-NVPAJSRCSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000479482774 339537517 /nfs/dbraw/zinc/53/75/17/339537517.db2.gz CJKIZWLPHTUYTN-WMLDXEAASA-N 1 0 320.433 3.885 20 5 DHBDRO COCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000479884702 339552650 /nfs/dbraw/zinc/55/26/50/339552650.db2.gz MNEPJZBDEDASPO-UHFFFAOYSA-N 1 0 320.433 3.980 20 5 DHBDRO CC(C)=CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000480286503 339567330 /nfs/dbraw/zinc/56/73/30/339567330.db2.gz DAPVYLXUFMBKLU-UHFFFAOYSA-N 1 0 300.305 3.642 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000480824163 339588284 /nfs/dbraw/zinc/58/82/84/339588284.db2.gz OJLAAWCZZXXLEX-UHFFFAOYSA-N 1 0 309.797 3.677 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000481262386 339599288 /nfs/dbraw/zinc/59/92/88/339599288.db2.gz QGXZQXSEOPMRHS-WMLDXEAASA-N 1 0 300.402 3.862 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000483713071 339672351 /nfs/dbraw/zinc/67/23/51/339672351.db2.gz MDPMIBFVTWRSPT-RRQGHBQHSA-N 1 0 318.417 3.902 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000484138200 339681795 /nfs/dbraw/zinc/68/17/95/339681795.db2.gz OLWFVEIMMMAPDP-PBHICJAKSA-N 1 0 308.422 3.741 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000495421604 339984039 /nfs/dbraw/zinc/98/40/39/339984039.db2.gz STSKZBGWKJQAQJ-DOMZBBRYSA-N 1 0 306.406 3.900 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCSC ZINC000504905543 340155618 /nfs/dbraw/zinc/15/56/18/340155618.db2.gz KCLJQFLJOWHLQU-LBPRGKRZSA-N 1 0 314.476 3.808 20 5 DHBDRO CC[N@H+](CCc1cccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000506597485 340197342 /nfs/dbraw/zinc/19/73/42/340197342.db2.gz ZGXAHTDMTBHUNZ-UHFFFAOYSA-N 1 0 308.378 3.860 20 5 DHBDRO Cc1cc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000506948325 340204245 /nfs/dbraw/zinc/20/42/45/340204245.db2.gz WNBBNNSBDRZODZ-ZOBUZTSGSA-N 1 0 317.433 3.745 20 5 DHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507000973 340205126 /nfs/dbraw/zinc/20/51/26/340205126.db2.gz GTVOXVNNVQAJCC-WMLDXEAASA-N 1 0 311.385 3.842 20 5 DHBDRO CC[C@H]1C[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000507790121 340231518 /nfs/dbraw/zinc/23/15/18/340231518.db2.gz ABTPLEYQSFSZMS-YJBOKZPZSA-N 1 0 318.417 3.764 20 5 DHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000302862968 340284645 /nfs/dbraw/zinc/28/46/45/340284645.db2.gz UMKBLERPEQQHOE-QGZVFWFLSA-N 1 0 311.385 3.671 20 5 DHBDRO CC[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000510950726 340316033 /nfs/dbraw/zinc/31/60/33/340316033.db2.gz JXSCWUYDVJRQKW-CYBMUJFWSA-N 1 0 324.384 3.755 20 5 DHBDRO CSc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511073415 340320085 /nfs/dbraw/zinc/32/00/85/340320085.db2.gz PJNNMUCOKAKBJD-UHFFFAOYSA-N 1 0 316.426 3.991 20 5 DHBDRO CCOc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511082543 340320231 /nfs/dbraw/zinc/32/02/31/340320231.db2.gz SCCBNUWBWIUYHN-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511081493 340320237 /nfs/dbraw/zinc/32/02/37/340320237.db2.gz NPPJFICVILRWRU-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000511954934 340343739 /nfs/dbraw/zinc/34/37/39/340343739.db2.gz COYSBKQXWUHYRA-LBPRGKRZSA-N 1 0 316.357 3.705 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)cc1 ZINC000512113365 340348656 /nfs/dbraw/zinc/34/86/56/340348656.db2.gz IKZXZESGXOMLFV-UPHRSURJSA-N 1 0 304.296 3.676 20 5 DHBDRO COc1cc(C[NH2+]CC[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1O ZINC000512229345 340353195 /nfs/dbraw/zinc/35/31/95/340353195.db2.gz YXWAUMGANICXPH-OLZOCXBDSA-N 1 0 322.405 3.615 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000512235271 340353379 /nfs/dbraw/zinc/35/33/79/340353379.db2.gz WLNVPHAJHGOBNE-ZFWWWQNUSA-N 1 0 306.406 3.909 20 5 DHBDRO CCOCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173315420 340362245 /nfs/dbraw/zinc/36/22/45/340362245.db2.gz RETKXWADFSQJNJ-AWEZNQCLSA-N 1 0 314.385 3.982 20 5 DHBDRO C[C@H]([NH2+]CCCCNc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000173379288 340363831 /nfs/dbraw/zinc/36/38/31/340363831.db2.gz UHPAHGAUJCYBAX-AWEZNQCLSA-N 1 0 314.389 3.533 20 5 DHBDRO Cc1nc(C)c(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000173402976 340364282 /nfs/dbraw/zinc/36/42/82/340364282.db2.gz MTXYMWUSMYNUTC-SNVBAGLBSA-N 1 0 305.403 3.561 20 5 DHBDRO C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173422467 340364670 /nfs/dbraw/zinc/36/46/70/340364670.db2.gz RAYAIEHHMFUCFC-XJKSGUPXSA-N 1 0 307.438 3.612 20 5 DHBDRO COc1cccc(C2=CC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000512686910 340373079 /nfs/dbraw/zinc/37/30/79/340373079.db2.gz KNTOTLGOAMURAT-UHFFFAOYSA-N 1 0 324.380 3.893 20 5 DHBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513045952 340390524 /nfs/dbraw/zinc/39/05/24/340390524.db2.gz IFVNCBKBDKHHJZ-QMTHXVAHSA-N 1 0 303.387 3.606 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3ccc(F)cc32)cc1 ZINC000175000031 340401046 /nfs/dbraw/zinc/40/10/46/340401046.db2.gz XYNXXHBULOJMAF-KRWDZBQOSA-N 1 0 300.333 3.554 20 5 DHBDRO Cc1oc2ccccc2c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000322448715 340704844 /nfs/dbraw/zinc/70/48/44/340704844.db2.gz CUSIAHGBHDURIZ-UHFFFAOYSA-N 1 0 310.353 3.982 20 5 DHBDRO CCOc1ccccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540176245 340920673 /nfs/dbraw/zinc/92/06/73/340920673.db2.gz PZQGQERXZLQLQT-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000540333602 340927419 /nfs/dbraw/zinc/92/74/19/340927419.db2.gz UPSGQRJSZMZBBK-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccon1 ZINC000542699564 341017811 /nfs/dbraw/zinc/01/78/11/341017811.db2.gz JLXZOCTVDYOTMM-NEPJUHHUSA-N 1 0 321.402 3.804 20 5 DHBDRO Cc1ccc([C@H](C)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000543416889 341043304 /nfs/dbraw/zinc/04/33/04/341043304.db2.gz XQZDIYMSQXJEHF-CVEARBPZSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1ccc([C@@H](C)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000543416891 341043309 /nfs/dbraw/zinc/04/33/09/341043309.db2.gz XQZDIYMSQXJEHF-HZPDHXFCSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1cccc([C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000544192376 341074077 /nfs/dbraw/zinc/07/40/77/341074077.db2.gz QDRXOGUDKZLMEA-HNNXBMFYSA-N 1 0 302.399 3.954 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCCS1)C1CC1 ZINC000544384610 341079543 /nfs/dbraw/zinc/07/95/43/341079543.db2.gz YQBHEYGBRYUULJ-JKSUJKDBSA-N 1 0 320.458 3.791 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000545235220 341116384 /nfs/dbraw/zinc/11/63/84/341116384.db2.gz KRGQBFJBNAPYTI-VHSSKADRSA-N 1 0 318.417 3.759 20 5 DHBDRO CC(C)(C)OCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000546659030 341177631 /nfs/dbraw/zinc/17/76/31/341177631.db2.gz LHQMHWPGUCGXFQ-ZBFHGGJFSA-N 1 0 320.433 3.711 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000546687649 341178766 /nfs/dbraw/zinc/17/87/66/341178766.db2.gz NHYZYZSYKZMUDU-GDBMZVCRSA-N 1 0 320.433 3.743 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000135164477 341232555 /nfs/dbraw/zinc/23/25/55/341232555.db2.gz OGMUWGCHWUNECN-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000548723055 341270608 /nfs/dbraw/zinc/27/06/08/341270608.db2.gz OWXBXUZCLLAEMZ-SWLSCSKDSA-N 1 0 300.358 3.644 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(O)c1 ZINC000080932023 341276762 /nfs/dbraw/zinc/27/67/62/341276762.db2.gz PFZVXDKTAGCRRG-ZDUSSCGKSA-N 1 0 300.358 3.884 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](CCC(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000549165550 341287715 /nfs/dbraw/zinc/28/77/15/341287715.db2.gz HIVWYMKIHHWCDV-HNNXBMFYSA-N 1 0 306.406 3.908 20 5 DHBDRO CC1(C)SC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000549233413 341289215 /nfs/dbraw/zinc/28/92/15/341289215.db2.gz WVRQHIQRXUFXEZ-KGLIPLIRSA-N 1 0 306.431 3.801 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1ccccc1 ZINC000549228504 341289223 /nfs/dbraw/zinc/28/92/23/341289223.db2.gz KRDFJVWVIDHKGV-WBAXXEDZSA-N 1 0 310.397 3.919 20 5 DHBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000245493047 341297057 /nfs/dbraw/zinc/29/70/57/341297057.db2.gz KTCYEQPWUAVVTE-KYJSFNMBSA-N 1 0 317.433 3.603 20 5 DHBDRO Cc1cc(Cl)cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000550156570 341311327 /nfs/dbraw/zinc/31/13/27/341311327.db2.gz BDYVSDYDKGBHDQ-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO COc1cc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000550444414 341317224 /nfs/dbraw/zinc/31/72/24/341317224.db2.gz UXPNMWXZVDLCQN-GXTWGEPZSA-N 1 0 322.380 3.753 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000550931254 341327058 /nfs/dbraw/zinc/32/70/58/341327058.db2.gz BZCCMVREZISRGB-DYVFJYSZSA-N 1 0 312.369 3.825 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000247924956 341371127 /nfs/dbraw/zinc/37/11/27/341371127.db2.gz BNWXULUQFVOXRR-MWDXBVQZSA-N 1 0 318.417 3.839 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000249874259 341401742 /nfs/dbraw/zinc/40/17/42/341401742.db2.gz GPKFPLIIZILPFT-RRQGHBQHSA-N 1 0 306.406 3.577 20 5 DHBDRO CC(C)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556078044 341493518 /nfs/dbraw/zinc/49/35/18/341493518.db2.gz KNUMXDBVYZIOMW-KBPBESRZSA-N 1 0 308.426 3.547 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCOC2CCCC2)cc1[N+](=O)[O-] ZINC000153329235 341535355 /nfs/dbraw/zinc/53/53/55/341535355.db2.gz VKKKSYYGJHGRPH-ZDUSSCGKSA-N 1 0 322.405 3.603 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000154218227 341586655 /nfs/dbraw/zinc/58/66/55/341586655.db2.gz LVFCLQVMLRXEJQ-WCQYABFASA-N 1 0 310.419 3.540 20 5 DHBDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC000158017612 341650080 /nfs/dbraw/zinc/65/00/80/341650080.db2.gz BSOSDZFEDAUBAU-BLLLJJGKSA-N 1 0 300.358 3.644 20 5 DHBDRO CCC[NH+](CCC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000158044440 341650445 /nfs/dbraw/zinc/65/04/45/341650445.db2.gz HTISJVMWLNPGKH-UHFFFAOYSA-N 1 0 316.405 3.617 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cccc2[nH]ccc21 ZINC000577767548 341935696 /nfs/dbraw/zinc/93/56/96/341935696.db2.gz DHCMQKQFQODPDC-SFHVURJKSA-N 1 0 321.380 3.896 20 5 DHBDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3ccccc3[N+](=O)[O-])c21 ZINC000237742824 518190702 /nfs/dbraw/zinc/19/07/02/518190702.db2.gz QZJPQEXIWXNMAQ-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO CCOC[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245530240 520117005 /nfs/dbraw/zinc/11/70/05/520117005.db2.gz SHLXBTAPFVQNBG-HUUCEWRRSA-N 1 0 306.406 3.713 20 5 DHBDRO CC[NH+](CC)Cc1ccccc1CNc1ncc([N+](=O)[O-])s1 ZINC000190308035 520759955 /nfs/dbraw/zinc/75/99/55/520759955.db2.gz SBIJQTFQZAFFCS-UHFFFAOYSA-N 1 0 320.418 3.505 20 5 DHBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183043709 522359963 /nfs/dbraw/zinc/35/99/63/522359963.db2.gz GFJFGXIJEVAANL-NEPJUHHUSA-N 1 0 303.362 3.774 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000193285221 524498509 /nfs/dbraw/zinc/49/85/09/524498509.db2.gz HWHPGCPJMACFKL-IAQYHMDHSA-N 1 0 317.414 3.822 20 5 DHBDRO C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180222965 525330639 /nfs/dbraw/zinc/33/06/39/525330639.db2.gz UFISZJNPIRGOBL-ZDUSSCGKSA-N 1 0 322.405 3.757 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000127229541 525572302 /nfs/dbraw/zinc/57/23/02/525572302.db2.gz IHGIZBKUUJSECT-DZGCQCFKSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000156940722 525731702 /nfs/dbraw/zinc/73/17/02/525731702.db2.gz XGUXUGJVMKIOAF-MLGOLLRUSA-N 1 0 320.414 3.523 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCC[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000183980891 525915714 /nfs/dbraw/zinc/91/57/14/525915714.db2.gz VUKQZZBNAIUHKI-LSDHHAIUSA-N 1 0 306.406 3.903 20 5 DHBDRO Cc1cnc(CC[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000157834635 525996987 /nfs/dbraw/zinc/99/69/87/525996987.db2.gz OQMMNTOCQGWOCH-GFCCVEGCSA-N 1 0 305.403 3.595 20 5 DHBDRO COc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000158646651 526035980 /nfs/dbraw/zinc/03/59/80/526035980.db2.gz ZLPSDRDVCYOSDX-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266538274 526107389 /nfs/dbraw/zinc/10/73/89/526107389.db2.gz PBWRHQAOLCYKSI-AWEZNQCLSA-N 1 0 304.390 3.548 20 5 DHBDRO Cc1nc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000127669351 526827747 /nfs/dbraw/zinc/82/77/47/526827747.db2.gz MUXHUULGNTZGHN-LLVKDONJSA-N 1 0 305.403 3.561 20 5 DHBDRO CCOC1CC2(C1)CC[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000285498420 535399505 /nfs/dbraw/zinc/39/95/05/535399505.db2.gz MYISKOXVHYBGLP-TUBUQKNSSA-N 1 0 304.390 3.547 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000287013559 535521126 /nfs/dbraw/zinc/52/11/26/535521126.db2.gz PSJXTCOUDZSWDL-CYBMUJFWSA-N 1 0 321.421 3.720 20 5 DHBDRO COCC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000272587330 536808339 /nfs/dbraw/zinc/80/83/39/536808339.db2.gz RLGYVGVPHWYCPT-DZGCQCFKSA-N 1 0 318.373 3.925 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000154980057 1013134543 /nfs/dbraw/zinc/13/45/43/1013134543.db2.gz NGXYHIGXVBMZQL-MRXNPFEDSA-N 1 0 300.358 3.584 20 5 DHBDRO COCc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266211441 1013142369 /nfs/dbraw/zinc/14/23/69/1013142369.db2.gz ONCPCNAQZFAZDM-ZDUSSCGKSA-N 1 0 300.358 3.592 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000246944079 1013232933 /nfs/dbraw/zinc/23/29/33/1013232933.db2.gz GZZPLESZUMRUDL-MWDXBVQZSA-N 1 0 304.390 3.593 20 5 DHBDRO Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000519037158 1013264301 /nfs/dbraw/zinc/26/43/01/1013264301.db2.gz RYTLPNUJVXNPCK-CJNGLKHVSA-N 1 0 312.369 3.558 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(O)c1 ZINC000126659558 1013385766 /nfs/dbraw/zinc/38/57/66/1013385766.db2.gz FASMNFPVUPLVAY-ZIAGYGMSSA-N 1 0 314.385 3.972 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000894711735 1013467585 /nfs/dbraw/zinc/46/75/85/1013467585.db2.gz KVMJNJHRALPJSJ-LBPRGKRZSA-N 1 0 324.808 3.687 20 5 DHBDRO CC1(C)C[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894801793 1013491800 /nfs/dbraw/zinc/49/18/00/1013491800.db2.gz GVTJPOLIKNOOQE-LLVKDONJSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000247231700 1013596538 /nfs/dbraw/zinc/59/65/38/1013596538.db2.gz XBCZUNMYDBEUMM-RRQGHBQHSA-N 1 0 314.389 3.626 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000610275519 1013597699 /nfs/dbraw/zinc/59/76/99/1013597699.db2.gz XOPXIHYRERWIOU-UHFFFAOYSA-N 1 0 323.462 3.749 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000729481530 1013634555 /nfs/dbraw/zinc/63/45/55/1013634555.db2.gz TYCNWGLFUCHHHQ-ZDUSSCGKSA-N 1 0 318.323 3.863 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CC)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000361733874 1032073717 /nfs/dbraw/zinc/07/37/17/1032073717.db2.gz DHHLXYQTXIKCHI-IRXDYDNUSA-N 1 0 306.406 3.841 20 5 DHBDRO CC[C@@H]1CCCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441436584 1013837148 /nfs/dbraw/zinc/83/71/48/1013837148.db2.gz HRPQXIRILVTYKS-CQSZACIVSA-N 1 0 322.405 3.637 20 5 DHBDRO CCC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000120910196 1013876244 /nfs/dbraw/zinc/87/62/44/1013876244.db2.gz VAQKCGMXUCKRLS-GFCCVEGCSA-N 1 0 303.362 3.748 20 5 DHBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000441460670 1013907844 /nfs/dbraw/zinc/90/78/44/1013907844.db2.gz DRGBQTWIJKALKZ-CPUCHLNUSA-N 1 0 304.390 3.627 20 5 DHBDRO CC1(C)CC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000579489828 1014064856 /nfs/dbraw/zinc/06/48/56/1014064856.db2.gz DRURTFSTJMAUMS-CQSZACIVSA-N 1 0 301.346 3.528 20 5 DHBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(C)o1 ZINC000610447521 1014235286 /nfs/dbraw/zinc/23/52/86/1014235286.db2.gz GKICPCWYUJWPDB-CQSZACIVSA-N 1 0 320.393 3.556 20 5 DHBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000058610958 1014345689 /nfs/dbraw/zinc/34/56/89/1014345689.db2.gz JMKACKBWUHZHMR-OAHLLOKOSA-N 1 0 311.813 3.781 20 5 DHBDRO CC[C@@H](C)[C@H](C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000520592050 1014361514 /nfs/dbraw/zinc/36/15/14/1014361514.db2.gz QQVRYINRDAJNFL-KGLIPLIRSA-N 1 0 306.406 3.873 20 5 DHBDRO CO[C@](C)([C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839639198 1014442651 /nfs/dbraw/zinc/44/26/51/1014442651.db2.gz MFXYZHSTHKMBJR-ZUZCIYMTSA-N 1 0 312.797 3.541 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000323039791 1014511547 /nfs/dbraw/zinc/51/15/47/1014511547.db2.gz BQNWYAPTEUBVFI-UHFFFAOYSA-N 1 0 314.385 3.980 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000933077957 1014529407 /nfs/dbraw/zinc/52/94/07/1014529407.db2.gz HAMFMOBUBHTHSZ-KRWDZBQOSA-N 1 0 318.417 3.542 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000610476368 1014540409 /nfs/dbraw/zinc/54/04/09/1014540409.db2.gz AYIPXIFYYSAREU-CYBMUJFWSA-N 1 0 316.357 3.576 20 5 DHBDRO Cc1ccc([C@H](C)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000320113499 1014587882 /nfs/dbraw/zinc/58/78/82/1014587882.db2.gz CMGOSGNWCYZIAQ-YJBOKZPZSA-N 1 0 319.449 3.674 20 5 DHBDRO C[N@H+](CCc1ccc(F)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000177947455 1014617087 /nfs/dbraw/zinc/61/70/87/1014617087.db2.gz FMYCXVLHPGFUJY-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000520948035 1014619425 /nfs/dbraw/zinc/61/94/25/1014619425.db2.gz OCNZSDBYJUMUAG-NEPJUHHUSA-N 1 0 316.357 3.609 20 5 DHBDRO CCC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000393588274 1014675654 /nfs/dbraw/zinc/67/56/54/1014675654.db2.gz YUVPYXJEEMKETH-OAHLLOKOSA-N 1 0 308.422 3.823 20 5 DHBDRO CCC[C@@H](CC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772954935 1032101786 /nfs/dbraw/zinc/10/17/86/1032101786.db2.gz QNPDKNFKAOTISO-CQSZACIVSA-N 1 0 305.422 3.732 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000121341699 1014813160 /nfs/dbraw/zinc/81/31/60/1014813160.db2.gz RDRBFMKKBOBVHR-CQSZACIVSA-N 1 0 303.362 3.749 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000610504860 1014818309 /nfs/dbraw/zinc/81/83/09/1014818309.db2.gz CIGUUOWGSKTIHG-QGZVFWFLSA-N 1 0 316.332 3.560 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000522015354 1014863490 /nfs/dbraw/zinc/86/34/90/1014863490.db2.gz XGAWACIQFKEUOA-BONVTDFDSA-N 1 0 315.373 3.580 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC2(C)C)c1F ZINC001173182531 1033584295 /nfs/dbraw/zinc/58/42/95/1033584295.db2.gz STCYRRCMRCMFPF-LLVKDONJSA-N 1 0 310.369 3.548 20 5 DHBDRO Cc1ccnc([C@@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581556928 1014994727 /nfs/dbraw/zinc/99/47/27/1014994727.db2.gz VXPUUJRAXBPUJW-GDBMZVCRSA-N 1 0 311.385 3.849 20 5 DHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000429680385 1015015307 /nfs/dbraw/zinc/01/53/07/1015015307.db2.gz HUBVIXNJPFHXNU-HZPDHXFCSA-N 1 0 324.446 3.628 20 5 DHBDRO Cc1c(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000119406714 1015031018 /nfs/dbraw/zinc/03/10/18/1015031018.db2.gz QGFLHXKYXKUYOO-ZDUSSCGKSA-N 1 0 314.385 3.672 20 5 DHBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)c(Br)c1 ZINC001226941094 1015053309 /nfs/dbraw/zinc/05/33/09/1015053309.db2.gz ORNPANVXGDYFEM-SECBINFHSA-N 1 0 307.639 3.576 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1ccncc1C)c1cccc([N+](=O)[O-])c1 ZINC000090846595 1015095989 /nfs/dbraw/zinc/09/59/89/1015095989.db2.gz DRHWAZITFZHQFW-GOSISDBHSA-N 1 0 313.401 3.972 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000895846876 1015331130 /nfs/dbraw/zinc/33/11/30/1015331130.db2.gz RJLMQVJIJLEKQO-CRAIPNDOSA-N 1 0 318.417 3.719 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCc1ccc(F)c(F)c1 ZINC000581830190 1015357616 /nfs/dbraw/zinc/35/76/16/1015357616.db2.gz DKQFKDWEYAFAAT-UHFFFAOYSA-N 1 0 320.339 3.590 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)C2CCCCC2)C2CC2)cc1 ZINC000474977606 1015744001 /nfs/dbraw/zinc/74/40/01/1015744001.db2.gz TXSBXSUBEHEIMN-GOSISDBHSA-N 1 0 318.417 3.500 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000098124417 1015790608 /nfs/dbraw/zinc/79/06/08/1015790608.db2.gz LUIKHHBOOAJHJE-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2cccnc2)C2CCC2)cc1 ZINC000280964877 1015815197 /nfs/dbraw/zinc/81/51/97/1015815197.db2.gz VAWWLUCHYCSJEI-SFHVURJKSA-N 1 0 311.385 3.663 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC(F)(F)C3)o2)cc1 ZINC000277410159 1016297267 /nfs/dbraw/zinc/29/72/67/1016297267.db2.gz FQQINIIJPZSXKK-UHFFFAOYSA-N 1 0 308.284 3.742 20 5 DHBDRO C[C@@H]1c2ccsc2CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051425799 1016356769 /nfs/dbraw/zinc/35/67/69/1016356769.db2.gz LILFSJOCKYGSME-GFCCVEGCSA-N 1 0 318.398 3.654 20 5 DHBDRO C[C@H]1c2ccsc2CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051425800 1016358018 /nfs/dbraw/zinc/35/80/18/1016358018.db2.gz LILFSJOCKYGSME-LBPRGKRZSA-N 1 0 318.398 3.654 20 5 DHBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000281158361 1016387599 /nfs/dbraw/zinc/38/75/99/1016387599.db2.gz BIBGEKSUQDQKFG-HNNXBMFYSA-N 1 0 316.332 3.520 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000444009370 1016577937 /nfs/dbraw/zinc/57/79/37/1016577937.db2.gz NDKUOQJHZQXTMA-YVMONPNESA-N 1 0 323.396 3.672 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc3c2NCC3)C2CC2)c1 ZINC000346825533 1016581059 /nfs/dbraw/zinc/58/10/59/1016581059.db2.gz QILNCLURGPIVBP-UHFFFAOYSA-N 1 0 323.396 3.727 20 5 DHBDRO Cc1cccnc1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000294952151 1032225856 /nfs/dbraw/zinc/22/58/56/1032225856.db2.gz HQUCXIGDUDHZSG-UHFFFAOYSA-N 1 0 319.792 3.674 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001171286899 1032250619 /nfs/dbraw/zinc/25/06/19/1032250619.db2.gz MQCBJIOVLNVUQB-YPMHNXCESA-N 1 0 310.369 3.657 20 5 DHBDRO Cc1nc(C)c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000119845282 1032324219 /nfs/dbraw/zinc/32/42/19/1032324219.db2.gz OEWKIMQXCZXCKR-SNVBAGLBSA-N 1 0 305.403 3.827 20 5 DHBDRO Cc1nn(CN2CCC[C@@H]2c2ccccc2C)c(C)c1[N+](=O)[O-] ZINC000054566159 1032346906 /nfs/dbraw/zinc/34/69/06/1032346906.db2.gz ZNPVFDSLLHYZNF-MRXNPFEDSA-N 1 0 314.389 3.511 20 5 DHBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000537629293 1032362410 /nfs/dbraw/zinc/36/24/10/1032362410.db2.gz QUOORJVXOJHVQK-GFCCVEGCSA-N 1 0 316.357 3.848 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000773121473 1032564439 /nfs/dbraw/zinc/56/44/39/1032564439.db2.gz RIIXFKCHTVGWNH-NEPJUHHUSA-N 1 0 303.362 3.733 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000064793650 1012119824 /nfs/dbraw/zinc/11/98/24/1012119824.db2.gz JEBWVVFLTBOVGG-UHFFFAOYSA-N 1 0 312.369 3.638 20 5 DHBDRO COCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000123050752 1032633093 /nfs/dbraw/zinc/63/30/93/1032633093.db2.gz XFNMCWSYWGAQCK-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO Cc1c(C[N@@H+](C)Cc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000514888584 1012485505 /nfs/dbraw/zinc/48/55/05/1012485505.db2.gz UCTIANZVPWDBHN-UHFFFAOYSA-N 1 0 313.401 3.601 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000537689257 1032641873 /nfs/dbraw/zinc/64/18/73/1032641873.db2.gz JQEHYCODTUAPJO-WBVHZDCISA-N 1 0 318.417 3.719 20 5 DHBDRO CCCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCC[C@H](C)C1 ZINC000339646868 1012720224 /nfs/dbraw/zinc/72/02/24/1012720224.db2.gz LCOIFOWSGSQSEA-KBPBESRZSA-N 1 0 308.426 3.509 20 5 DHBDRO Cc1ccccc1OCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000609223694 1012879428 /nfs/dbraw/zinc/87/94/28/1012879428.db2.gz HCRYBNNMDCCHTJ-UHFFFAOYSA-N 1 0 314.385 3.770 20 5 DHBDRO C[C@@H]([NH2+]CCc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178647330 1017392597 /nfs/dbraw/zinc/39/25/97/1017392597.db2.gz WLRBBVLXLYLRPQ-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@@H](CC[NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000320913231 1017401616 /nfs/dbraw/zinc/40/16/16/1017401616.db2.gz PNAFOPIZPCTGBC-HNNXBMFYSA-N 1 0 314.385 3.757 20 5 DHBDRO CO[C@@]1(C)CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000475552649 1017423718 /nfs/dbraw/zinc/42/37/18/1017423718.db2.gz XHQJYDKRYCCSMV-NZHZHZHDSA-N 1 0 318.417 3.889 20 5 DHBDRO COc1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000282011949 1017496574 /nfs/dbraw/zinc/49/65/74/1017496574.db2.gz MVBPWZHINDVDOY-LBPRGKRZSA-N 1 0 314.332 3.519 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178654258 1017558483 /nfs/dbraw/zinc/55/84/83/1017558483.db2.gz CGBMNEAMMGZPLR-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444674244 1017623858 /nfs/dbraw/zinc/62/38/58/1017623858.db2.gz ONWUMEDHUNEVDK-LBPRGKRZSA-N 1 0 310.357 3.630 20 5 DHBDRO CCC[C@H]([NH2+]C1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268747278 1017711938 /nfs/dbraw/zinc/71/19/38/1017711938.db2.gz VOONZCWTJXYNGN-KRWDZBQOSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1ccc(CN(C)Cc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000125723628 1032718663 /nfs/dbraw/zinc/71/86/63/1032718663.db2.gz OUDLLUDHHRTLNC-UHFFFAOYSA-N 1 0 305.765 3.584 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1Cc2ccccc21)C1CC1 ZINC000121599081 1017959874 /nfs/dbraw/zinc/95/98/74/1017959874.db2.gz GVEMCMUWVQJSNL-MJGOQNOKSA-N 1 0 322.408 3.845 20 5 DHBDRO O=[N+]([O-])c1ccc(CN2CCc3c(Cl)cccc3C2)cc1 ZINC000524811590 1018098034 /nfs/dbraw/zinc/09/80/34/1018098034.db2.gz PCDQEFLTBLWMLJ-UHFFFAOYSA-N 1 0 302.761 3.807 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000173457089 1018217038 /nfs/dbraw/zinc/21/70/38/1018217038.db2.gz JKLDAYVCOOLMTL-PXAZEXFGSA-N 1 0 318.348 3.772 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000428452091 1018242189 /nfs/dbraw/zinc/24/21/89/1018242189.db2.gz JDEOBPAFFYHDKW-MFKMUULPSA-N 1 0 312.316 3.571 20 5 DHBDRO C[C@H](CCC1CCCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446846401 1018267309 /nfs/dbraw/zinc/26/73/09/1018267309.db2.gz ZHNHIVFFMKBOES-GFCCVEGCSA-N 1 0 316.405 3.920 20 5 DHBDRO C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000248330577 1018355299 /nfs/dbraw/zinc/35/52/99/1018355299.db2.gz DOTXXPSPLSLDJE-STQMWFEESA-N 1 0 315.373 3.523 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOC1CCCC1)CCC2 ZINC000447527499 1018405517 /nfs/dbraw/zinc/40/55/17/1018405517.db2.gz FDUHJAKRSRUPOS-SFHVURJKSA-N 1 0 318.417 3.911 20 5 DHBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[C@H]1C ZINC000447602695 1018442213 /nfs/dbraw/zinc/44/22/13/1018442213.db2.gz VIELOELMHWBUIK-IBEHDNSVSA-N 1 0 320.437 3.689 20 5 DHBDRO CC(C)(C)c1cnc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000447891600 1018495852 /nfs/dbraw/zinc/49/58/52/1018495852.db2.gz CPFYZZAJAJSKTK-UHFFFAOYSA-N 1 0 319.430 3.681 20 5 DHBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000611773918 1018531293 /nfs/dbraw/zinc/53/12/93/1018531293.db2.gz PPVMYYPMDZZQSS-UHFFFAOYSA-N 1 0 312.797 3.639 20 5 DHBDRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000583591815 1018581867 /nfs/dbraw/zinc/58/18/67/1018581867.db2.gz HGSWNQPNQLCYGT-NEPJUHHUSA-N 1 0 304.394 3.776 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C1CCCCC1)CCC2 ZINC000583686992 1018630750 /nfs/dbraw/zinc/63/07/50/1018630750.db2.gz BJCXHYQOLPKZQN-QZTJIDSGSA-N 1 0 318.417 3.503 20 5 DHBDRO CC(C)(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765334070 1018758821 /nfs/dbraw/zinc/75/88/21/1018758821.db2.gz JWBUAJFCOZAPOT-UHFFFAOYSA-N 1 0 305.422 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCC1SCCS1 ZINC000693832543 1018786316 /nfs/dbraw/zinc/78/63/16/1018786316.db2.gz WBWSMXJFNRDMMG-UHFFFAOYSA-N 1 0 318.851 3.534 20 5 DHBDRO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000187059217 1018971992 /nfs/dbraw/zinc/97/19/92/1018971992.db2.gz BWUDWJVOJOCZJA-STQMWFEESA-N 1 0 315.373 3.719 20 5 DHBDRO Cn1cccc1[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255361572 1019409298 /nfs/dbraw/zinc/40/92/98/1019409298.db2.gz NVVMAWOJTJQMLM-MPYGFJLXSA-N 1 0 311.385 3.784 20 5 DHBDRO O=[N+]([O-])c1ccccc1CN(Cc1n[nH]c2ccccc21)C1CC1 ZINC000611254804 1019420354 /nfs/dbraw/zinc/42/03/54/1019420354.db2.gz RRESKDBRTZZTTD-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO O=[N+]([O-])c1cccc(CN(Cc2n[nH]c3ccccc32)C2CC2)c1 ZINC000611254805 1019422037 /nfs/dbraw/zinc/42/20/37/1019422037.db2.gz RZSDQXDKCLMQFU-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(Cl)o1 ZINC000611465956 1019492909 /nfs/dbraw/zinc/49/29/09/1019492909.db2.gz BAHRWDUURADIIL-LLVKDONJSA-N 1 0 308.765 3.952 20 5 DHBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000347601854 1019762155 /nfs/dbraw/zinc/76/21/55/1019762155.db2.gz PPTYWTJWMFEPTB-UHFFFAOYSA-N 1 0 302.296 3.744 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000079723885 1019767048 /nfs/dbraw/zinc/76/70/48/1019767048.db2.gz HTPOPFSBHVFRIE-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000067949638 1019819550 /nfs/dbraw/zinc/81/95/50/1019819550.db2.gz SMFZQJVUTMLYOF-UHFFFAOYSA-N 1 0 311.385 3.671 20 5 DHBDRO CC[C@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000727822868 1019822231 /nfs/dbraw/zinc/82/22/31/1019822231.db2.gz DFUQKWRDQKUVMK-JTQLQIEISA-N 1 0 307.375 3.704 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)cc1 ZINC000116922885 1019933313 /nfs/dbraw/zinc/93/33/13/1019933313.db2.gz CIGODBBHAFWTSL-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000317376928 1019977244 /nfs/dbraw/zinc/97/72/44/1019977244.db2.gz HWZMPXVHGVFPLY-NXEZZACHSA-N 1 0 317.311 3.508 20 5 DHBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000317376929 1019978591 /nfs/dbraw/zinc/97/85/91/1019978591.db2.gz HWZMPXVHGVFPLY-UWVGGRQHSA-N 1 0 317.311 3.508 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000155911054 1020287337 /nfs/dbraw/zinc/28/73/37/1020287337.db2.gz QXDRXFORPQRICL-XKQJLSEDSA-N 1 0 314.389 3.626 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000922839790 1020302556 /nfs/dbraw/zinc/30/25/56/1020302556.db2.gz ZCUPQXCVBIELEU-UGQYRENISA-N 1 0 306.431 3.872 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCc2cccnc21 ZINC000922879816 1020325641 /nfs/dbraw/zinc/32/56/41/1020325641.db2.gz CRZAQDCCWXXZIG-YCOJEUHLSA-N 1 0 309.369 3.670 20 5 DHBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC(F)(F)CC1 ZINC000612192037 1020390625 /nfs/dbraw/zinc/39/06/25/1020390625.db2.gz LXDGTVXSXZALMK-UHFFFAOYSA-N 1 0 302.296 3.792 20 5 DHBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000489832262 1020420570 /nfs/dbraw/zinc/42/05/70/1020420570.db2.gz NBQCLQUTPPVEBN-ZDUSSCGKSA-N 1 0 302.349 3.797 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000765845218 1020478963 /nfs/dbraw/zinc/47/89/63/1020478963.db2.gz NONXUMLQPSEMDK-MSOLQXFVSA-N 1 0 314.385 3.759 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CSc3ccccc32)cc1 ZINC000092274907 1020508462 /nfs/dbraw/zinc/50/84/62/1020508462.db2.gz VPJZJVBJEFCBRI-ZDUSSCGKSA-N 1 0 300.383 3.574 20 5 DHBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCC(C)(C)C[NH+](C)C ZINC001168768617 1020525253 /nfs/dbraw/zinc/52/52/53/1020525253.db2.gz CPFYGHJNWDUCRD-UHFFFAOYSA-N 1 0 323.437 3.690 20 5 DHBDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000030002425 1020559231 /nfs/dbraw/zinc/55/92/31/1020559231.db2.gz LKJMAFVZPPVONS-CYBMUJFWSA-N 1 0 300.358 3.796 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000136705383 1020613802 /nfs/dbraw/zinc/61/38/02/1020613802.db2.gz TTWPZLZMWDLQNX-CYBMUJFWSA-N 1 0 324.808 3.830 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccccc1 ZINC000066434501 1020861383 /nfs/dbraw/zinc/86/13/83/1020861383.db2.gz YTESIHADXLECAS-GOSISDBHSA-N 1 0 314.385 3.539 20 5 DHBDRO CC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CCC1 ZINC000738056089 1020863422 /nfs/dbraw/zinc/86/34/22/1020863422.db2.gz WPLDXZXPFYIFLP-UHFFFAOYSA-N 1 0 307.375 3.704 20 5 DHBDRO CCOC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000581563041 1020891237 /nfs/dbraw/zinc/89/12/37/1020891237.db2.gz RGXNBEXAKCVPFD-AWEZNQCLSA-N 1 0 306.406 3.903 20 5 DHBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCC3CCCCC3)CC2)n1 ZINC000581693815 1020901792 /nfs/dbraw/zinc/90/17/92/1020901792.db2.gz PYASQNDYXWUHJD-UHFFFAOYSA-N 1 0 320.437 3.789 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000582273911 1020932002 /nfs/dbraw/zinc/93/20/02/1020932002.db2.gz QOZPRQUWGNDIOV-ZDUSSCGKSA-N 1 0 316.405 3.675 20 5 DHBDRO COCCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180134698 1020938535 /nfs/dbraw/zinc/93/85/35/1020938535.db2.gz BANIFTUJWPVWCL-GOSISDBHSA-N 1 0 314.385 3.700 20 5 DHBDRO COCCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180134679 1020939441 /nfs/dbraw/zinc/93/94/41/1020939441.db2.gz BANIFTUJWPVWCL-SFHVURJKSA-N 1 0 314.385 3.700 20 5 DHBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000740870912 1020957422 /nfs/dbraw/zinc/95/74/22/1020957422.db2.gz LZCFCLIEBVCPPB-NEPJUHHUSA-N 1 0 311.813 3.557 20 5 DHBDRO CCOC(C)(C)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000188684948 1021096732 /nfs/dbraw/zinc/09/67/32/1021096732.db2.gz HIWCNBZVOFBSEF-GOEBONIOSA-N 1 0 320.433 3.711 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000180368698 1021102556 /nfs/dbraw/zinc/10/25/56/1021102556.db2.gz NPMWMQFQWFDYAW-LOWQCSRCSA-N 1 0 304.390 3.544 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000537965953 1032955701 /nfs/dbraw/zinc/95/57/01/1032955701.db2.gz NXZYXTFACTZKNG-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000180700837 1021148004 /nfs/dbraw/zinc/14/80/04/1021148004.db2.gz MBMRDASMYMHXLX-OLZOCXBDSA-N 1 0 322.405 3.674 20 5 DHBDRO CC(C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122158291 1021190557 /nfs/dbraw/zinc/19/05/57/1021190557.db2.gz UEBMLYBSVGTJAU-UHFFFAOYSA-N 1 0 305.422 3.589 20 5 DHBDRO CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272186 1021215261 /nfs/dbraw/zinc/21/52/61/1021215261.db2.gz RFHNWKACIBSSGE-SFHVURJKSA-N 1 0 314.385 3.540 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000776273852 1021216150 /nfs/dbraw/zinc/21/61/50/1021216150.db2.gz AZCGGTHKQWXVTC-HOTGVXAUSA-N 1 0 318.398 3.527 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](CC3CCCCC3)CC2)cc1 ZINC000917391199 1021254714 /nfs/dbraw/zinc/25/47/14/1021254714.db2.gz PIHMYEHHTNVRAM-UHFFFAOYSA-N 1 0 317.433 3.687 20 5 DHBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618568498 1021426305 /nfs/dbraw/zinc/42/63/05/1021426305.db2.gz XKHFJNOYTWPHJM-QFYYESIMSA-N 1 0 315.373 3.928 20 5 DHBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000618571592 1021434304 /nfs/dbraw/zinc/43/43/04/1021434304.db2.gz RVYMOIVTJSERHP-UGSOOPFHSA-N 1 0 311.385 3.761 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCSC3(CCC3)CC2)cc1[N+](=O)[O-] ZINC000414482978 1021492144 /nfs/dbraw/zinc/49/21/44/1021492144.db2.gz YMCLJULAHNVRNJ-UHFFFAOYSA-N 1 0 306.431 3.765 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000850441500 1021534792 /nfs/dbraw/zinc/53/47/92/1021534792.db2.gz AOEUARDXJXGSSO-CYBMUJFWSA-N 1 0 312.369 3.771 20 5 DHBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000744440702 1021544435 /nfs/dbraw/zinc/54/44/35/1021544435.db2.gz GTMRCDPALZELNZ-CJNGLKHVSA-N 1 0 314.389 3.536 20 5 DHBDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000092224061 1021561780 /nfs/dbraw/zinc/56/17/80/1021561780.db2.gz BHDMRXXVBJTLKA-HNNXBMFYSA-N 1 0 315.373 3.582 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)C1CCC(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850553752 1021600248 /nfs/dbraw/zinc/60/02/48/1021600248.db2.gz CEZJOZXEWGPBLD-IBQNZTRDSA-N 1 0 309.385 3.744 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCC2SCCS2)cccc1[N+](=O)[O-] ZINC000850570917 1021615360 /nfs/dbraw/zinc/61/53/60/1021615360.db2.gz NWPIGLUBPHPANM-NSHDSACASA-N 1 0 312.460 3.750 20 5 DHBDRO CC(C)(C)OCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000695264494 1021733228 /nfs/dbraw/zinc/73/32/28/1021733228.db2.gz ZXPYSNNRIUSLNK-UHFFFAOYSA-N 1 0 300.786 3.543 20 5 DHBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580136 1022097636 /nfs/dbraw/zinc/09/76/36/1022097636.db2.gz RKSMMOGEFRYPMQ-JKSUJKDBSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCc1nccs1)C(C)C ZINC000183378850 1022121580 /nfs/dbraw/zinc/12/15/80/1022121580.db2.gz XIFMYWOORLIPOI-UHFFFAOYSA-N 1 0 319.430 3.813 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000852532167 1022136127 /nfs/dbraw/zinc/13/61/27/1022136127.db2.gz CSBZMLZVFKFMJT-LLVKDONJSA-N 1 0 300.761 3.820 20 5 DHBDRO CC[C@](C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776604290 1022140276 /nfs/dbraw/zinc/14/02/76/1022140276.db2.gz ATURKHYKWJCKNW-MSOLQXFVSA-N 1 0 314.385 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3(C4CCC4)CCC3)nc2c1 ZINC001206159399 1033031501 /nfs/dbraw/zinc/03/15/01/1033031501.db2.gz LTPPZSOVUNVMNZ-UHFFFAOYSA-N 1 0 315.373 3.796 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2c3ccccc3-c3ccccc32)C1 ZINC001168976049 1022194615 /nfs/dbraw/zinc/19/46/15/1022194615.db2.gz YUSRIAQKHHFGTH-KGLIPLIRSA-N 1 0 308.381 3.791 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CCCC2)C1 ZINC001168984315 1022198867 /nfs/dbraw/zinc/19/88/67/1022198867.db2.gz LYFGGOSZMJOYSN-ZTFGCOKTSA-N 1 0 302.418 3.953 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001168967158 1022202745 /nfs/dbraw/zinc/20/27/45/1022202745.db2.gz NTOTVZUHONCDQO-TZHQNVRVSA-N 1 0 306.450 3.626 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC001168968182 1022203257 /nfs/dbraw/zinc/20/32/57/1022203257.db2.gz XHCBNNQHOAJROW-KOLCDFICSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)C1 ZINC001168967375 1022204282 /nfs/dbraw/zinc/20/42/82/1022204282.db2.gz PJMJDDSBGVYBBE-FXAWDEMLSA-N 1 0 324.424 3.931 20 5 DHBDRO CCCC[C@H](CC)COCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970890 1022205064 /nfs/dbraw/zinc/20/50/64/1022205064.db2.gz JDMFLXNGHBRANF-YESZJQIVSA-N 1 0 314.470 3.645 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1Cl ZINC001169003568 1022211938 /nfs/dbraw/zinc/21/19/38/1022211938.db2.gz OEEPAAHQOFDBFR-OUAUKWLOSA-N 1 0 300.761 3.575 20 5 DHBDRO C[N@H+](Cc1ccc(Cl)cc1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005944 1022213380 /nfs/dbraw/zinc/21/33/80/1022213380.db2.gz DKNYITMXFMWXRM-MFKMUULPSA-N 1 0 317.216 3.871 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(Cl)s2)C1 ZINC001169033309 1022219244 /nfs/dbraw/zinc/21/92/44/1022219244.db2.gz BUFNJMKWNTZNRP-IJLUTSLNSA-N 1 0 314.838 3.984 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccccc3Cl)C2)C1 ZINC001169034559 1022221608 /nfs/dbraw/zinc/22/16/08/1022221608.db2.gz HUURMWDZEYYJFA-MGPQQGTHSA-N 1 0 308.809 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC001169039722 1022221887 /nfs/dbraw/zinc/22/18/87/1022221887.db2.gz SPXIJRBSLXUUCP-XPKDYRNWSA-N 1 0 308.809 3.575 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Cc3ccccc3F)CC2)C1 ZINC001169034992 1022222947 /nfs/dbraw/zinc/22/29/47/1022222947.db2.gz JNQJEDVFKJZGMX-WBVHZDCISA-N 1 0 320.408 3.526 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3ccccc3Cl)CC2)C1 ZINC001169039110 1022223043 /nfs/dbraw/zinc/22/30/43/1022223043.db2.gz NDFIOWKZPUXWFJ-HIFRSBDPSA-N 1 0 322.836 3.965 20 5 DHBDRO CSc1ccccc1[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041685 1022223924 /nfs/dbraw/zinc/22/39/24/1022223924.db2.gz CAGXBNJQFKFCTL-LZWOXQAQSA-N 1 0 320.458 3.991 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001169041134 1022224947 /nfs/dbraw/zinc/22/49/47/1022224947.db2.gz BCDHREXMOVGFAQ-APHBMKBZSA-N 1 0 308.809 3.922 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2c(F)cccc2F)C1 ZINC001169046326 1022229745 /nfs/dbraw/zinc/22/97/45/1022229745.db2.gz KNNAMVYTQGFPSI-JMSVASOKSA-N 1 0 310.344 3.547 20 5 DHBDRO CCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000173398043 1033041101 /nfs/dbraw/zinc/04/11/01/1033041101.db2.gz HGXANOAGGNVHMV-LBPRGKRZSA-N 1 0 318.348 3.983 20 5 DHBDRO CC[C@H]([NH2+]CCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000610009059 1022401772 /nfs/dbraw/zinc/40/17/72/1022401772.db2.gz VJYYTZSRYNJHJL-KRWDZBQOSA-N 1 0 317.364 3.887 20 5 DHBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC(C)(C)CC[NH+](C)C ZINC001169717315 1022517163 /nfs/dbraw/zinc/51/71/63/1022517163.db2.gz AATZLDDKEFZYRN-UHFFFAOYSA-N 1 0 323.437 3.833 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000337545550 1033064111 /nfs/dbraw/zinc/06/41/11/1033064111.db2.gz LLGCVWAGOXXVMT-BFHYXJOUSA-N 1 0 314.332 3.796 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOc2ccccc2C1 ZINC000615836113 1022569538 /nfs/dbraw/zinc/56/95/38/1022569538.db2.gz WXFURHCSCSBZHO-PTNGSMBKSA-N 1 0 324.380 3.893 20 5 DHBDRO CC(C)(CCCO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318355 1022674462 /nfs/dbraw/zinc/67/44/62/1022674462.db2.gz YNPILJZLHHDLIO-QGZVFWFLSA-N 1 0 320.433 3.751 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cccs1 ZINC000417307786 1022676735 /nfs/dbraw/zinc/67/67/35/1022676735.db2.gz HHTITFIDFNWEMA-AEGPPILISA-N 1 0 316.426 3.981 20 5 DHBDRO CC[C@@H](O)CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311391 1022678076 /nfs/dbraw/zinc/67/80/76/1022678076.db2.gz OTEZXIUANSYGRG-NVXWUHKLSA-N 1 0 306.406 3.503 20 5 DHBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417331164 1022688799 /nfs/dbraw/zinc/68/87/99/1022688799.db2.gz LXIYVYHEAXABHF-SIIHOXLZSA-N 1 0 318.417 3.625 20 5 DHBDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349983 1022693627 /nfs/dbraw/zinc/69/36/27/1022693627.db2.gz NSPPVCSKKVDYCF-BLLLJJGKSA-N 1 0 306.406 3.501 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](CC(C)C)OC)cc1[N+](=O)[O-] ZINC000417368391 1022713611 /nfs/dbraw/zinc/71/36/11/1022713611.db2.gz OOWSIMIKTHRPCZ-ZFWWWQNUSA-N 1 0 324.421 3.705 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@H](C)O1 ZINC000417388173 1022724766 /nfs/dbraw/zinc/72/47/66/1022724766.db2.gz ZNLODCKLDLRZJX-ZFHGCVPZSA-N 1 0 318.417 3.765 20 5 DHBDRO CCn1ccc(C[N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000616737761 1022762753 /nfs/dbraw/zinc/76/27/53/1022762753.db2.gz SBNXPDRQUAPRIU-GDNBJRDFSA-N 1 0 313.401 3.952 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@H]2CC2(Cl)Cl)c1 ZINC000856807338 1022874554 /nfs/dbraw/zinc/87/45/54/1022874554.db2.gz NLQWZVKNSHWQBG-VIFPVBQESA-N 1 0 323.607 3.922 20 5 DHBDRO CCOc1cc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000092626546 1022930010 /nfs/dbraw/zinc/93/00/10/1022930010.db2.gz WFUZCEAYZJDULS-AWEZNQCLSA-N 1 0 321.421 3.526 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167752340 1023032555 /nfs/dbraw/zinc/03/25/55/1023032555.db2.gz FHPVNUBPKOHBFV-ZDUSSCGKSA-N 1 0 316.405 3.753 20 5 DHBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1C ZINC000781925391 1023086343 /nfs/dbraw/zinc/08/63/43/1023086343.db2.gz TVQDUNDYOHOJED-JQFCIGGWSA-N 1 0 306.406 3.529 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000769425127 1023146916 /nfs/dbraw/zinc/14/69/16/1023146916.db2.gz DMDJJHUFWQQSKA-OAHLLOKOSA-N 1 0 324.380 3.519 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C(C)(C)C1CCOCC1 ZINC000785607863 1023594233 /nfs/dbraw/zinc/59/42/33/1023594233.db2.gz UGFJKFPTCWVVOZ-SDNWHVSQSA-N 1 0 318.417 3.793 20 5 DHBDRO CS[C@@H]1CC[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000786812599 1023730627 /nfs/dbraw/zinc/73/06/27/1023730627.db2.gz IBBXLFVFFHLFDU-MEJTZIMASA-N 1 0 306.431 3.872 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3c1cccc3O)CCC2 ZINC000278849885 1023778719 /nfs/dbraw/zinc/77/87/19/1023778719.db2.gz VOEHEUNAQNIKHV-ROUUACIJSA-N 1 0 324.380 3.955 20 5 DHBDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)Cc1cccs1 ZINC000788613211 1023913944 /nfs/dbraw/zinc/91/39/44/1023913944.db2.gz OLPWUTSOQJKGDN-VXGBXAGGSA-N 1 0 319.430 3.768 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000788684772 1023918586 /nfs/dbraw/zinc/91/85/86/1023918586.db2.gz FADHEDMVPPTXNS-OTYXRUKQSA-N 1 0 318.377 3.584 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788776222 1023937904 /nfs/dbraw/zinc/93/79/04/1023937904.db2.gz KZPQOZWBOOZLRT-GFCCVEGCSA-N 1 0 311.385 3.905 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788813435 1023945191 /nfs/dbraw/zinc/94/51/91/1023945191.db2.gz HQFCXTDAJJNEGW-GFCCVEGCSA-N 1 0 324.384 3.552 20 5 DHBDRO CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000789364475 1024062138 /nfs/dbraw/zinc/06/21/38/1024062138.db2.gz WNZCOMWELORKRH-SCLBCKFNSA-N 1 0 314.385 3.541 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC1CC1)C1CCC1 ZINC000475681051 1024183816 /nfs/dbraw/zinc/18/38/16/1024183816.db2.gz TWJVMVUSWPGORM-UHFFFAOYSA-N 1 0 304.390 3.758 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000268969294 1024206259 /nfs/dbraw/zinc/20/62/59/1024206259.db2.gz HYTCKYOOALAYHR-LRDDRELGSA-N 1 0 320.414 3.523 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000130726959 1024210491 /nfs/dbraw/zinc/21/04/91/1024210491.db2.gz MIOFOBHZNVTOQZ-ROUUACIJSA-N 1 0 314.385 3.678 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)cccc1[N+](=O)[O-] ZINC000269052911 1024233258 /nfs/dbraw/zinc/23/32/58/1024233258.db2.gz RPCHTFHESHDZOX-MLGOLLRUSA-N 1 0 320.414 3.523 20 5 DHBDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000531737195 1024290547 /nfs/dbraw/zinc/29/05/47/1024290547.db2.gz LQYOELUYSBNRFN-RHSMWYFYSA-N 1 0 314.385 3.503 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3C=CCC3)cs2)c1 ZINC000883238933 1024311388 /nfs/dbraw/zinc/31/13/88/1024311388.db2.gz QZWVSQWVMGZCHJ-GFCCVEGCSA-N 1 0 315.398 3.774 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(C)CC(F)(F)C1 ZINC000883257373 1024324598 /nfs/dbraw/zinc/32/45/98/1024324598.db2.gz ZQIRUMMEWNJDDZ-SNVBAGLBSA-N 1 0 316.323 3.690 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000396988615 1024336833 /nfs/dbraw/zinc/33/68/33/1024336833.db2.gz NRCXPZXXYLXJHY-MRVPVSSYSA-N 1 0 310.703 3.926 20 5 DHBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877004318 1033203990 /nfs/dbraw/zinc/20/39/90/1033203990.db2.gz KOKZAHGJADRFSJ-ARAOSMHQSA-N 1 0 320.437 3.689 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883353354 1024399297 /nfs/dbraw/zinc/39/92/97/1024399297.db2.gz SWFWWIGLRONIMT-OBJOEFQTSA-N 1 0 310.369 3.590 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883353352 1024400531 /nfs/dbraw/zinc/40/05/31/1024400531.db2.gz SWFWWIGLRONIMT-BZPMIXESSA-N 1 0 310.369 3.590 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC000883356668 1024402309 /nfs/dbraw/zinc/40/23/09/1024402309.db2.gz SDAQEAICQHQJIQ-ZIAGYGMSSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)cc1[N+](=O)[O-] ZINC000883364795 1024405246 /nfs/dbraw/zinc/40/52/46/1024405246.db2.gz OKMZIGPUANQODJ-XKQJLSEDSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000270630311 1024410738 /nfs/dbraw/zinc/41/07/38/1024410738.db2.gz MALHXNMYNARLMK-LALPHHSUSA-N 1 0 320.414 3.819 20 5 DHBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000337873030 1033210757 /nfs/dbraw/zinc/21/07/57/1033210757.db2.gz SIRMBHAKRFKIIW-INIZCTEOSA-N 1 0 316.332 3.520 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000520303619 1024446607 /nfs/dbraw/zinc/44/66/07/1024446607.db2.gz JZFPPBBNRWVTKZ-RDTXWAMCSA-N 1 0 320.433 3.885 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)c2)cc1[N+](=O)[O-] ZINC000453299413 1024446684 /nfs/dbraw/zinc/44/66/84/1024446684.db2.gz VJGPBZYYLPIIKT-CYBMUJFWSA-N 1 0 315.373 3.548 20 5 DHBDRO CO[C@@](C)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000453328680 1024449761 /nfs/dbraw/zinc/44/97/61/1024449761.db2.gz VGYLWYUBDQAXKT-KSSFIOAISA-N 1 0 314.385 3.807 20 5 DHBDRO CO[C@](C)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000453328677 1024449867 /nfs/dbraw/zinc/44/98/67/1024449867.db2.gz VGYLWYUBDQAXKT-KBXCAEBGSA-N 1 0 314.385 3.807 20 5 DHBDRO Cc1cccnc1CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453306485 1024455096 /nfs/dbraw/zinc/45/50/96/1024455096.db2.gz JSKVWPSOVYYKBK-HNNXBMFYSA-N 1 0 313.401 3.890 20 5 DHBDRO CCCc1ncc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)o1 ZINC000453358595 1024481006 /nfs/dbraw/zinc/48/10/06/1024481006.db2.gz DWRVDDQJTPRXLW-MRXNPFEDSA-N 1 0 315.373 3.703 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000453368916 1024490885 /nfs/dbraw/zinc/49/08/85/1024490885.db2.gz PNJKLBFSZRSUQH-YESZJQIVSA-N 1 0 300.402 3.552 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000453402620 1024500383 /nfs/dbraw/zinc/50/03/83/1024500383.db2.gz CLGNSUDMIFJLGO-KGLIPLIRSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC000181986996 1024527363 /nfs/dbraw/zinc/52/73/63/1024527363.db2.gz ANKDDKSMYBRGNH-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000271556262 1024538344 /nfs/dbraw/zinc/53/83/44/1024538344.db2.gz VVKXBWBYQFGQEZ-ZIAGYGMSSA-N 1 0 304.390 3.656 20 5 DHBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000271550964 1024539509 /nfs/dbraw/zinc/53/95/09/1024539509.db2.gz QOKQKZZTPQCRAW-HIFRSBDPSA-N 1 0 312.797 3.541 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000532202440 1024575006 /nfs/dbraw/zinc/57/50/06/1024575006.db2.gz CMSKSQKAPKTJAA-MAUKXSAKSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000532231290 1024582234 /nfs/dbraw/zinc/58/22/34/1024582234.db2.gz JVWCBXJMUOBKHJ-OWCLPIDISA-N 1 0 319.449 3.817 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000585767878 1024604457 /nfs/dbraw/zinc/60/44/57/1024604457.db2.gz UJKZHKLCSTVEND-MRXNPFEDSA-N 1 0 320.433 3.845 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cc1F ZINC000283236996 1024613226 /nfs/dbraw/zinc/61/32/26/1024613226.db2.gz UNUQGEVGIILWKW-QGZVFWFLSA-N 1 0 300.333 3.975 20 5 DHBDRO CC1CC[NH+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000319007723 1024666080 /nfs/dbraw/zinc/66/60/80/1024666080.db2.gz MJTFIQCCCOXBFB-UHFFFAOYSA-N 1 0 313.348 3.676 20 5 DHBDRO COCCC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279007582 1024675806 /nfs/dbraw/zinc/67/58/06/1024675806.db2.gz GONGMBDDLVQLER-MRXNPFEDSA-N 1 0 318.417 3.724 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](Cc1cccnc1)C1CC1 ZINC000349275706 1024694475 /nfs/dbraw/zinc/69/44/75/1024694475.db2.gz IHFFDSYQIAAMEJ-DAXSKMNVSA-N 1 0 309.369 3.668 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001170292054 1024726230 /nfs/dbraw/zinc/72/62/30/1024726230.db2.gz HMKNSUJPBBZUQT-AWEZNQCLSA-N 1 0 314.385 3.633 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC001170300221 1024729333 /nfs/dbraw/zinc/72/93/33/1024729333.db2.gz YOCXRZOGIVQVEA-VXGBXAGGSA-N 1 0 320.414 3.947 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170300417 1024730208 /nfs/dbraw/zinc/73/02/08/1024730208.db2.gz ZWMULGRYHYFCGU-VNHYZAJKSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170290565 1024739448 /nfs/dbraw/zinc/73/94/48/1024739448.db2.gz CWFJUUXDWCAYQW-HEHGZKQESA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC001170319268 1024741965 /nfs/dbraw/zinc/74/19/65/1024741965.db2.gz WNKGMTPOMYVBCZ-KCQAQPDRSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170322930 1024742297 /nfs/dbraw/zinc/74/22/97/1024742297.db2.gz ISMFPRICKCUWTP-CYBMUJFWSA-N 1 0 318.417 3.704 20 5 DHBDRO COc1ccc(C[C@H](C)[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170328634 1024745628 /nfs/dbraw/zinc/74/56/28/1024745628.db2.gz KXVVQYLVYVDLKT-ZDUSSCGKSA-N 1 0 306.406 3.799 20 5 DHBDRO COc1ccc(C[C@H](C)[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329880 1024745987 /nfs/dbraw/zinc/74/59/87/1024745987.db2.gz WHEAEZIAJHVJMC-MJBXVCDLSA-N 1 0 306.406 3.797 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2C[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170329759 1024746031 /nfs/dbraw/zinc/74/60/31/1024746031.db2.gz TWEPMFWFLWKKCW-NUEKZKHPSA-N 1 0 318.417 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[N@H+](C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC001170352347 1024748724 /nfs/dbraw/zinc/74/87/24/1024748724.db2.gz MCYSSMPEVIBKEP-JSGCOSHPSA-N 1 0 306.406 3.512 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cnc(C)s1 ZINC000347365906 1024751066 /nfs/dbraw/zinc/75/10/66/1024751066.db2.gz MHNGKLNDYODTRB-KPKJPENVSA-N 1 0 317.414 3.895 20 5 DHBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC001170345770 1024756202 /nfs/dbraw/zinc/75/62/02/1024756202.db2.gz LOVSAVQHHGNPFL-LBPRGKRZSA-N 1 0 320.414 3.728 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170347154 1024756970 /nfs/dbraw/zinc/75/69/70/1024756970.db2.gz QVUVKILLCAOINR-CQSZACIVSA-N 1 0 318.417 3.801 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCc2ccncc2)c2cc([N+](=O)[O-])ccc21 ZINC000279229212 1024802801 /nfs/dbraw/zinc/80/28/01/1024802801.db2.gz ZVTGIOQTVKBNAH-QGZVFWFLSA-N 1 0 311.385 3.545 20 5 DHBDRO CC(C)C[NH+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC000792863270 1024807609 /nfs/dbraw/zinc/80/76/09/1024807609.db2.gz SMLKMAAWDFHVBF-UHFFFAOYSA-N 1 0 309.366 3.617 20 5 DHBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000792868211 1024811844 /nfs/dbraw/zinc/81/18/44/1024811844.db2.gz SDTICLKYVXYNEK-RYUDHWBXSA-N 1 0 321.377 3.902 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000792880780 1024824310 /nfs/dbraw/zinc/82/43/10/1024824310.db2.gz VLYJHAJWVWROAW-IUODEOHRSA-N 1 0 321.377 3.904 20 5 DHBDRO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC001170424647 1024865217 /nfs/dbraw/zinc/86/52/17/1024865217.db2.gz OGIGWHLLLVIHQZ-RDJZCZTQSA-N 1 0 318.417 3.732 20 5 DHBDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269682207 1024884562 /nfs/dbraw/zinc/88/45/62/1024884562.db2.gz RIPQAVBZCRBMOA-ZWKOTPCHSA-N 1 0 314.385 3.615 20 5 DHBDRO CC(C)[NH+](CCNc1ccc2ncccc2c1[N+](=O)[O-])C(C)C ZINC000320000903 1024928994 /nfs/dbraw/zinc/92/89/94/1024928994.db2.gz ZJQBYYAGIXJKDV-UHFFFAOYSA-N 1 0 316.405 3.674 20 5 DHBDRO CC(C)c1ccc(C[NH2+]Cc2ccc3cc[nH]c3n2)cc1[N+](=O)[O-] ZINC000353216542 1024988850 /nfs/dbraw/zinc/98/88/50/1024988850.db2.gz GUMFDTOFNWHAGJ-UHFFFAOYSA-N 1 0 324.384 3.884 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000539037147 1033252739 /nfs/dbraw/zinc/25/27/39/1033252739.db2.gz JFXRLSFPJGWQRZ-JJRVBVJISA-N 1 0 306.406 3.757 20 5 DHBDRO CC(C)CSCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000539049286 1033253975 /nfs/dbraw/zinc/25/39/75/1033253975.db2.gz NGYZFXQYVZEUAI-INIZCTEOSA-N 1 0 322.474 3.895 20 5 DHBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000539086802 1033265564 /nfs/dbraw/zinc/26/55/64/1033265564.db2.gz MPFOKNOSBLABON-CYBMUJFWSA-N 1 0 317.364 3.802 20 5 DHBDRO CC[C@@]1(C)CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000353685502 1025200560 /nfs/dbraw/zinc/20/05/60/1025200560.db2.gz IGXIIKWGUDIYKA-KRWDZBQOSA-N 1 0 322.405 3.624 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353746087 1025230302 /nfs/dbraw/zinc/23/03/02/1025230302.db2.gz KVMWYXZBRBPAIX-BHSUKZTGSA-N 1 0 316.401 3.501 20 5 DHBDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178566358 1025233482 /nfs/dbraw/zinc/23/34/82/1025233482.db2.gz VGXPXXOKZJEFCQ-LBPRGKRZSA-N 1 0 300.811 3.576 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000539070545 1033268666 /nfs/dbraw/zinc/26/86/66/1033268666.db2.gz MZMNNSDSWANGET-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO CCc1cnc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897463651 1025365900 /nfs/dbraw/zinc/36/59/00/1025365900.db2.gz AZPIHSZZJOZBER-LLVKDONJSA-N 1 0 305.403 3.507 20 5 DHBDRO Cc1ccc(CCC[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000897465092 1025368360 /nfs/dbraw/zinc/36/83/60/1025368360.db2.gz SPBJULNIQTVTKR-AWEZNQCLSA-N 1 0 313.401 3.624 20 5 DHBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000747211283 1025467372 /nfs/dbraw/zinc/46/73/72/1025467372.db2.gz DCGCSNDHLRWRGM-VXGBXAGGSA-N 1 0 309.797 3.595 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000138355256 1025733462 /nfs/dbraw/zinc/73/34/62/1025733462.db2.gz DBLARMYYRBFTQY-OAHLLOKOSA-N 1 0 317.433 3.606 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355785044 1025839649 /nfs/dbraw/zinc/83/96/49/1025839649.db2.gz PBUMXAZBQRHNES-RHSMWYFYSA-N 1 0 304.390 3.548 20 5 DHBDRO Cc1c(C[NH+]2CCC(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000075997357 1025858248 /nfs/dbraw/zinc/85/82/48/1025858248.db2.gz QRTRRBOTKBJLOI-UHFFFAOYSA-N 1 0 302.296 3.678 20 5 DHBDRO C[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000886774107 1025894790 /nfs/dbraw/zinc/89/47/90/1025894790.db2.gz HRAPZLXHPUFKJG-YOEHRIQHSA-N 1 0 318.417 3.985 20 5 DHBDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512398 1026053528 /nfs/dbraw/zinc/05/35/28/1026053528.db2.gz DBTCWWDRCYYGHY-INIZCTEOSA-N 1 0 312.369 3.907 20 5 DHBDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513379 1026054863 /nfs/dbraw/zinc/05/48/63/1026054863.db2.gz IWZWRWOMBDUZNO-KRWDZBQOSA-N 1 0 312.369 3.907 20 5 DHBDRO COC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000089668039 1026060790 /nfs/dbraw/zinc/06/07/90/1026060790.db2.gz RTAOXVRCMQJLPI-WMLDXEAASA-N 1 0 314.385 3.942 20 5 DHBDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000089667905 1026061925 /nfs/dbraw/zinc/06/19/25/1026061925.db2.gz HCDLSAYRHOIMIY-YOEHRIQHSA-N 1 0 314.385 3.942 20 5 DHBDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090723786 1026085325 /nfs/dbraw/zinc/08/53/25/1026085325.db2.gz JQHGULKNOMOGTA-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000093764454 1026123838 /nfs/dbraw/zinc/12/38/38/1026123838.db2.gz NYXMRLINIRXZOJ-FNORWQNLSA-N 1 0 317.414 3.629 20 5 DHBDRO CCCC[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289761060 1026163264 /nfs/dbraw/zinc/16/32/64/1026163264.db2.gz FYYFBFAXZHVOAI-GFCCVEGCSA-N 1 0 318.377 3.655 20 5 DHBDRO CC(C)CC1(C)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000808780559 1026392527 /nfs/dbraw/zinc/39/25/27/1026392527.db2.gz RYWJNEGZVCIRTI-KRWDZBQOSA-N 1 0 320.433 3.776 20 5 DHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C12CCCC2 ZINC000809560651 1026550567 /nfs/dbraw/zinc/55/05/67/1026550567.db2.gz OJBNBVLCQLYHMH-CVEARBPZSA-N 1 0 322.380 3.561 20 5 DHBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000280111180 1026594641 /nfs/dbraw/zinc/59/46/41/1026594641.db2.gz OVQLIBLBQKVVHP-NHYWBVRUSA-N 1 0 306.431 3.660 20 5 DHBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809733022 1026597888 /nfs/dbraw/zinc/59/78/88/1026597888.db2.gz OTCRCRHOVXFLKZ-QGPMSJSTSA-N 1 0 320.433 3.823 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420953595 1026893040 /nfs/dbraw/zinc/89/30/40/1026893040.db2.gz TUHYWLCMWXERSN-ZDUSSCGKSA-N 1 0 316.323 3.802 20 5 DHBDRO CCC[C@@H]([NH2+]CCCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000421853175 1027066776 /nfs/dbraw/zinc/06/67/76/1027066776.db2.gz IOQFAJYJOLCBDB-MRXNPFEDSA-N 1 0 306.406 3.721 20 5 DHBDRO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000811840384 1027097920 /nfs/dbraw/zinc/09/79/20/1027097920.db2.gz DULXNOQZZMGYPS-LRDDRELGSA-N 1 0 317.364 3.837 20 5 DHBDRO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000811840383 1027098090 /nfs/dbraw/zinc/09/80/90/1027098090.db2.gz DULXNOQZZMGYPS-BLLLJJGKSA-N 1 0 317.364 3.837 20 5 DHBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295125682 1027107002 /nfs/dbraw/zinc/10/70/02/1027107002.db2.gz AIIMKKURWFGDQG-NSHDSACASA-N 1 0 319.188 3.559 20 5 DHBDRO C[C@H]1C[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000228852805 1027149330 /nfs/dbraw/zinc/14/93/30/1027149330.db2.gz IJBKLTKFVMWOCC-DTWKUNHWSA-N 1 0 318.204 3.796 20 5 DHBDRO C[C@@H]([NH2+]CCCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932179279 1027397127 /nfs/dbraw/zinc/39/71/27/1027397127.db2.gz YHTPFLJMOZYOQC-CQSZACIVSA-N 1 0 306.406 3.842 20 5 DHBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848636 1027445709 /nfs/dbraw/zinc/44/57/09/1027445709.db2.gz LKJXPVPUZPHMHW-KSSFIOAISA-N 1 0 314.385 3.539 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCCS1 ZINC000158246812 1027459533 /nfs/dbraw/zinc/45/95/33/1027459533.db2.gz SWVDJPYGSHKPKE-LBPRGKRZSA-N 1 0 300.811 3.624 20 5 DHBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000295973824 1027507306 /nfs/dbraw/zinc/50/73/06/1027507306.db2.gz IXEQWHQDKCWHDE-ZDUSSCGKSA-N 1 0 300.358 3.768 20 5 DHBDRO CC[C@@H]([NH3+])CN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423471790 1027559207 /nfs/dbraw/zinc/55/92/07/1027559207.db2.gz PZTZJJJKADQWCA-NWDGAFQWSA-N 1 0 319.430 3.711 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933079267 1027669274 /nfs/dbraw/zinc/66/92/74/1027669274.db2.gz KXFISTXLJRQKPZ-ZBFHGGJFSA-N 1 0 318.417 3.794 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)CCO2 ZINC000933488193 1027742628 /nfs/dbraw/zinc/74/26/28/1027742628.db2.gz JAROWLKMZSZIHW-LLVKDONJSA-N 1 0 316.332 3.520 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000934384662 1027988505 /nfs/dbraw/zinc/98/85/05/1027988505.db2.gz FBOZVXPKHNICLD-CJNGLKHVSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCCCO2)C1 ZINC000365705306 1027993071 /nfs/dbraw/zinc/99/30/71/1027993071.db2.gz PMIGIWMMBSICOL-RHSMWYFYSA-N 1 0 304.390 3.691 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CO2 ZINC000563419502 1028039288 /nfs/dbraw/zinc/03/92/88/1028039288.db2.gz XTEAGYXWDLUHSE-CVEARBPZSA-N 1 0 310.353 3.614 20 5 DHBDRO C[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601305397 1028070602 /nfs/dbraw/zinc/07/06/02/1028070602.db2.gz XHFMCMFWDQFBTH-PBHICJAKSA-N 1 0 318.417 3.985 20 5 DHBDRO C[C@@H]([NH2+]CC1([C@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000601305358 1028070720 /nfs/dbraw/zinc/07/07/20/1028070720.db2.gz WMNUITHHCFDBGK-RHSMWYFYSA-N 1 0 318.417 3.985 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934691233 1028074333 /nfs/dbraw/zinc/07/43/33/1028074333.db2.gz GUZDEABMOMDCHS-INIZCTEOSA-N 1 0 317.776 3.884 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc3cccnc3o2)C2CC2)c1 ZINC000449012013 1028260225 /nfs/dbraw/zinc/26/02/25/1028260225.db2.gz XLTKGXBGQIBFAF-UHFFFAOYSA-N 1 0 323.352 3.901 20 5 DHBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001170769204 1028260738 /nfs/dbraw/zinc/26/07/38/1028260738.db2.gz NQOMFOJPUNTFGP-OCCSQVGLSA-N 1 0 306.406 3.947 20 5 DHBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564151799 1028327152 /nfs/dbraw/zinc/32/71/52/1028327152.db2.gz JNMOLTFOIITBBR-WBMJQRKESA-N 1 0 301.390 3.787 20 5 DHBDRO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449088809 1028361574 /nfs/dbraw/zinc/36/15/74/1028361574.db2.gz ZXNHQYOEARXAKV-KGLIPLIRSA-N 1 0 316.376 3.886 20 5 DHBDRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449088811 1028363403 /nfs/dbraw/zinc/36/34/03/1028363403.db2.gz ZXNHQYOEARXAKV-ZIAGYGMSSA-N 1 0 316.376 3.886 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cc(F)cc(F)c1 ZINC000449118786 1028374762 /nfs/dbraw/zinc/37/47/62/1028374762.db2.gz UMPCREHEPLSDOJ-LBPRGKRZSA-N 1 0 320.339 3.636 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(CNc2cc3c(c[nH+]2)CCC3)c1 ZINC000815158805 1028387092 /nfs/dbraw/zinc/38/70/92/1028387092.db2.gz BAEVGVZOSBWZJF-UHFFFAOYSA-N 1 0 303.749 3.744 20 5 DHBDRO CCc1nc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449152743 1028406086 /nfs/dbraw/zinc/40/60/86/1028406086.db2.gz AXUUFZFNQWMEOA-NEPJUHHUSA-N 1 0 319.430 3.896 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cc(F)ccc1F ZINC000449173007 1028415710 /nfs/dbraw/zinc/41/57/10/1028415710.db2.gz DQWQMCOIUHCAGU-GFCCVEGCSA-N 1 0 320.339 3.636 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000449212702 1028449119 /nfs/dbraw/zinc/44/91/19/1028449119.db2.gz VDIDIHJQPZITBH-FZKQIMNGSA-N 1 0 311.385 3.662 20 5 DHBDRO Cc1c(C[NH2+]CCc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000579620559 1028450855 /nfs/dbraw/zinc/45/08/55/1028450855.db2.gz QDUAXLSCLKATMQ-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO Cc1ccnc([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000564582365 1028477082 /nfs/dbraw/zinc/47/70/82/1028477082.db2.gz CCPPDSMJDDGQQH-LSDHHAIUSA-N 1 0 311.385 3.849 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562070 1028544214 /nfs/dbraw/zinc/54/42/14/1028544214.db2.gz WGPJWQUZDCMNNG-UHIISALHSA-N 1 0 315.373 3.744 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566945 1028546125 /nfs/dbraw/zinc/54/61/25/1028546125.db2.gz KIDKATSJMMMMLV-LBPRGKRZSA-N 1 0 322.368 3.576 20 5 DHBDRO Cc1ccc([C@@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815583022 1028554290 /nfs/dbraw/zinc/55/42/90/1028554290.db2.gz VGDMHSVRZWAZIP-UONOGXRCSA-N 1 0 313.401 3.940 20 5 DHBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616591 1028572629 /nfs/dbraw/zinc/57/26/29/1028572629.db2.gz SDKKAYFIJDBDBM-SCZZXKLOSA-N 1 0 305.300 3.559 20 5 DHBDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620354 1028572730 /nfs/dbraw/zinc/57/27/30/1028572730.db2.gz OMNWWEQKONGCEY-ZJUUUORDSA-N 1 0 319.327 3.949 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000370167107 1028572683 /nfs/dbraw/zinc/57/26/83/1028572683.db2.gz JJUOIXFECBBWAG-FZKQIMNGSA-N 1 0 312.369 3.559 20 5 DHBDRO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815605361 1028582063 /nfs/dbraw/zinc/58/20/63/1028582063.db2.gz RXRNMVQSXBGVIU-LLVKDONJSA-N 1 0 315.348 3.656 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000565532056 1028600340 /nfs/dbraw/zinc/60/03/40/1028600340.db2.gz NVJJANZSQUHADW-XHSDSOJGSA-N 1 0 317.433 3.745 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1scnc1C ZINC000449468880 1028669429 /nfs/dbraw/zinc/66/94/29/1028669429.db2.gz RFLXNKCVRFHFGP-XYOKQWHBSA-N 1 0 317.414 3.595 20 5 DHBDRO CO[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449507820 1028728585 /nfs/dbraw/zinc/72/85/85/1028728585.db2.gz UIEFCTHZTCGGST-DYVFJYSZSA-N 1 0 306.406 3.575 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000566646184 1028757361 /nfs/dbraw/zinc/75/73/61/1028757361.db2.gz DNSUELMVLLIPBI-XVNBXDOJSA-N 1 0 310.353 3.990 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cscn1 ZINC000566689016 1028766058 /nfs/dbraw/zinc/76/60/58/1028766058.db2.gz HZSBRYRAIVJULJ-VXGBXAGGSA-N 1 0 305.403 3.723 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000217889207 1028785605 /nfs/dbraw/zinc/78/56/05/1028785605.db2.gz WSCRLKAFMBNBLU-UONOGXRCSA-N 1 0 312.797 3.541 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000217889051 1028785850 /nfs/dbraw/zinc/78/58/50/1028785850.db2.gz WSCRLKAFMBNBLU-ZIAGYGMSSA-N 1 0 312.797 3.541 20 5 DHBDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000449625015 1028861523 /nfs/dbraw/zinc/86/15/23/1028861523.db2.gz AMKPZRMZFFEQAI-SJCJKPOMSA-N 1 0 306.406 3.621 20 5 DHBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000190949932 1029223168 /nfs/dbraw/zinc/22/31/68/1029223168.db2.gz JRNXLQCVSOSLIZ-DZGCQCFKSA-N 1 0 316.357 3.512 20 5 DHBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000190949968 1029223482 /nfs/dbraw/zinc/22/34/82/1029223482.db2.gz JRNXLQCVSOSLIZ-UKRRQHHQSA-N 1 0 316.357 3.512 20 5 DHBDRO CCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000569863191 1029277354 /nfs/dbraw/zinc/27/73/54/1029277354.db2.gz MMUMSMBHTXACMA-UHFFFAOYSA-N 1 0 303.362 3.870 20 5 DHBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1=CCCCC1 ZINC000819238454 1029509863 /nfs/dbraw/zinc/50/98/63/1029509863.db2.gz GHMSEUOJERTCJO-KRWDZBQOSA-N 1 0 318.417 3.744 20 5 DHBDRO CO[C@H](CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000530330874 1029819395 /nfs/dbraw/zinc/81/93/95/1029819395.db2.gz ICWIAAWUJWURFE-ZWNOBZJWSA-N 1 0 320.311 3.521 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451336759 1029850253 /nfs/dbraw/zinc/85/02/53/1029850253.db2.gz FZOOQBUYNIAATA-BNEJOLLZSA-N 1 0 318.417 3.671 20 5 DHBDRO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000451412479 1029869877 /nfs/dbraw/zinc/86/98/77/1029869877.db2.gz WRDJUKOEVREVJV-DGCLKSJQSA-N 1 0 316.323 3.800 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCSC1 ZINC000530529264 1029881627 /nfs/dbraw/zinc/88/16/27/1029881627.db2.gz NIYRYULRMFWRSC-NEPJUHHUSA-N 1 0 312.460 3.561 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3CC(F)(F)C3)C2)cc1 ZINC000451546725 1029906237 /nfs/dbraw/zinc/90/62/37/1029906237.db2.gz JMIDRFNAVCQJAV-AWEZNQCLSA-N 1 0 310.344 3.820 20 5 DHBDRO COC1(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCC1 ZINC000451545935 1029907987 /nfs/dbraw/zinc/90/79/87/1029907987.db2.gz HYTSPCWGKXTLFA-MRXNPFEDSA-N 1 0 318.417 3.733 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2coc(-c3ccccc3)n2)cc1 ZINC000530647075 1029939925 /nfs/dbraw/zinc/93/99/25/1029939925.db2.gz GCIURSLQPJVCLH-UHFFFAOYSA-N 1 0 323.352 3.582 20 5 DHBDRO CC(C)(C)OC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000865698266 1029978085 /nfs/dbraw/zinc/97/80/85/1029978085.db2.gz LPQFTLHUPRKIFL-UHFFFAOYSA-N 1 0 306.406 3.811 20 5 DHBDRO CSc1cc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])ccn1 ZINC000357368386 1030020034 /nfs/dbraw/zinc/02/00/34/1030020034.db2.gz OBQVPNGHAMRXCN-XQRVVYSFSA-N 1 0 315.398 3.515 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)cs1 ZINC000865781714 1030023277 /nfs/dbraw/zinc/02/32/77/1030023277.db2.gz GXXGPXREAKBKCK-WDEREUQCSA-N 1 0 320.336 3.891 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)C1(Br)CC1)c1cccc([N+](=O)[O-])c1 ZINC000924799500 1030193788 /nfs/dbraw/zinc/19/37/88/1030193788.db2.gz SZNSHFFHYNCYBA-NXEZZACHSA-N 1 0 313.195 3.561 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000866271800 1030194573 /nfs/dbraw/zinc/19/45/73/1030194573.db2.gz FBPIRBKTMCXVHZ-BLLLJJGKSA-N 1 0 317.364 3.801 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000866271801 1030195428 /nfs/dbraw/zinc/19/54/28/1030195428.db2.gz FBPIRBKTMCXVHZ-LRDDRELGSA-N 1 0 317.364 3.801 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccnc(SC)c1)c1cccc([N+](=O)[O-])c1 ZINC000357857110 1030225730 /nfs/dbraw/zinc/22/57/30/1030225730.db2.gz UTPHHKGUFHNRTE-OAHLLOKOSA-N 1 0 317.414 3.953 20 5 DHBDRO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000823205717 1030230768 /nfs/dbraw/zinc/23/07/68/1030230768.db2.gz VOPNUZLCCDKORV-ONGXEEELSA-N 1 0 303.189 3.829 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(C(F)(F)F)CC1 ZINC000866357517 1030250508 /nfs/dbraw/zinc/25/05/08/1030250508.db2.gz ICNAFOKDTCXRNW-VIFPVBQESA-N 1 0 320.286 3.597 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000357988998 1030271197 /nfs/dbraw/zinc/27/11/97/1030271197.db2.gz GFTDWNOXGXCSLD-BDJLRTHQSA-N 1 0 316.405 3.747 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCS1 ZINC000866480027 1030316918 /nfs/dbraw/zinc/31/69/18/1030316918.db2.gz CRJQMNAFZVQTHP-SMDDNHRTSA-N 1 0 312.410 3.540 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000866540180 1030360213 /nfs/dbraw/zinc/36/02/13/1030360213.db2.gz KJVQBAAUIVSHQP-AWEZNQCLSA-N 1 0 313.401 3.820 20 5 DHBDRO CC[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000358310615 1030431344 /nfs/dbraw/zinc/43/13/44/1030431344.db2.gz YIDHITIRAMYWHC-JCGIZDLHSA-N 1 0 320.433 3.967 20 5 DHBDRO CC[C@@H]([NH2+][C@H](CO)c1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000358376794 1030462176 /nfs/dbraw/zinc/46/21/76/1030462176.db2.gz HYRIIYYXPBAMQP-HUUCEWRRSA-N 1 0 320.414 3.739 20 5 DHBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000291522540 1030531503 /nfs/dbraw/zinc/53/15/03/1030531503.db2.gz JIDTYSHGHRFFDL-MNDMWVCDSA-N 1 0 318.417 3.888 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000824765491 1030626600 /nfs/dbraw/zinc/62/66/00/1030626600.db2.gz MCBZMVQCBSEPQQ-LBPRGKRZSA-N 1 0 303.189 3.577 20 5 DHBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000824964099 1030671191 /nfs/dbraw/zinc/67/11/91/1030671191.db2.gz KATCNCFXRVRZJE-LBPRGKRZSA-N 1 0 303.189 3.658 20 5 DHBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742448 1030762934 /nfs/dbraw/zinc/76/29/34/1030762934.db2.gz NPHBAQMBFIICQG-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000926494001 1030764237 /nfs/dbraw/zinc/76/42/37/1030764237.db2.gz XOCITYKSQJGUGG-QWHCGFSZSA-N 1 0 314.389 3.928 20 5 DHBDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000359558463 1031028682 /nfs/dbraw/zinc/02/86/82/1031028682.db2.gz OJTVDFYGBXGOOS-SJKOYZFVSA-N 1 0 315.373 3.748 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000927068037 1031067546 /nfs/dbraw/zinc/06/75/46/1031067546.db2.gz QCUKYCIGVOVWFB-BNLOLNQZSA-N 1 0 322.380 3.590 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000927068170 1031068044 /nfs/dbraw/zinc/06/80/44/1031068044.db2.gz FIUDAUZZGHDDQN-YEWWUXTCSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2cccc3c2OCC3)cccc1[N+](=O)[O-] ZINC000927089766 1031082343 /nfs/dbraw/zinc/08/23/43/1031082343.db2.gz DYTKXKKSYWXBNG-ZDUSSCGKSA-N 1 0 312.369 3.689 20 5 DHBDRO CCOc1cc(C[N@H+](C2CC2)C2CCCC2)ccc1[N+](=O)[O-] ZINC000559072706 1031086450 /nfs/dbraw/zinc/08/64/50/1031086450.db2.gz AYVBPBXVAQXUMR-UHFFFAOYSA-N 1 0 304.390 3.901 20 5 DHBDRO C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000927131963 1031110540 /nfs/dbraw/zinc/11/05/40/1031110540.db2.gz ZQPHNXVOKUXFMI-CZUORRHYSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017634 1031401385 /nfs/dbraw/zinc/40/13/85/1031401385.db2.gz DCSLAFJZEFICER-NSHDSACASA-N 1 0 323.412 3.694 20 5 DHBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038676 1031423233 /nfs/dbraw/zinc/42/32/33/1031423233.db2.gz ORXZWRBDZCGDNC-ONGXEEELSA-N 1 0 321.352 3.621 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000872039881 1031424107 /nfs/dbraw/zinc/42/41/07/1031424107.db2.gz IUAJOQIIABEPJL-WDEREUQCSA-N 1 0 312.460 3.863 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000872041400 1031426205 /nfs/dbraw/zinc/42/62/05/1031426205.db2.gz HSAWHZXCJDTBBA-RWMBFGLXSA-N 1 0 324.446 3.518 20 5 DHBDRO Cc1noc(C)c1CCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042407 1031429067 /nfs/dbraw/zinc/42/90/67/1031429067.db2.gz OJLLJTJMOGYUMV-NSHDSACASA-N 1 0 321.352 3.622 20 5 DHBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872048048 1031435450 /nfs/dbraw/zinc/43/54/50/1031435450.db2.gz WVSHZUBAIQUXIB-SLEUVZQESA-N 1 0 310.369 3.588 20 5 DHBDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872049810 1031437661 /nfs/dbraw/zinc/43/76/61/1031437661.db2.gz VDUUYCVAKKWYJM-WCQYABFASA-N 1 0 312.435 3.518 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000872050068 1031437723 /nfs/dbraw/zinc/43/77/23/1031437723.db2.gz WMXBBZFGXHTTAJ-BPUTZDHNSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054570 1031442500 /nfs/dbraw/zinc/44/25/00/1031442500.db2.gz ZAHXLOZTUJFFPP-CHWSQXEVSA-N 1 0 324.396 3.573 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053918 1031442969 /nfs/dbraw/zinc/44/29/69/1031442969.db2.gz YLVYECSCSFRTEH-UWVGGRQHSA-N 1 0 321.352 3.793 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872058049 1031448593 /nfs/dbraw/zinc/44/85/93/1031448593.db2.gz MRCQKCNEMDMEIG-BFHYXJOUSA-N 1 0 324.396 3.978 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000872063700 1031459278 /nfs/dbraw/zinc/45/92/78/1031459278.db2.gz SELPNPZRANHPHZ-SWLSCSKDSA-N 1 0 312.797 3.543 20 5 DHBDRO COc1cccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000536861466 1031460274 /nfs/dbraw/zinc/46/02/74/1031460274.db2.gz CLAASQGRQOALKH-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000872065218 1031460783 /nfs/dbraw/zinc/46/07/83/1031460783.db2.gz VVSXOYXAZSRWQS-AAEUAGOBSA-N 1 0 308.403 3.660 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000872066798 1031463328 /nfs/dbraw/zinc/46/33/28/1031463328.db2.gz QRKKCEBEHMBDLJ-GDBMZVCRSA-N 1 0 306.406 3.587 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000872071241 1031466557 /nfs/dbraw/zinc/46/65/57/1031466557.db2.gz LXPXCYMBPVIKQZ-GBIKHYSHSA-N 1 0 312.460 3.719 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000872071105 1031467907 /nfs/dbraw/zinc/46/79/07/1031467907.db2.gz KPDWUQOVUUWXRZ-AGIUHOORSA-N 1 0 324.446 3.640 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000872075427 1031472773 /nfs/dbraw/zinc/47/27/73/1031472773.db2.gz CNCWLHFZIVURRU-TYNCELHUSA-N 1 0 324.446 3.518 20 5 DHBDRO C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872075838 1031472827 /nfs/dbraw/zinc/47/28/27/1031472827.db2.gz GTLPAXLOUVWBQE-PELKAZGASA-N 1 0 321.179 3.968 20 5 DHBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)C1CC1 ZINC000872078839 1031473991 /nfs/dbraw/zinc/47/39/91/1031473991.db2.gz SPSNCRPZFCUGKA-MMPTUQATSA-N 1 0 324.446 3.781 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000872078795 1031474618 /nfs/dbraw/zinc/47/46/18/1031474618.db2.gz JYFGTHXSBVZPDA-OUAUKWLOSA-N 1 0 312.460 3.861 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000872078796 1031475038 /nfs/dbraw/zinc/47/50/38/1031475038.db2.gz JYFGTHXSBVZPDA-VWYCJHECSA-N 1 0 312.460 3.861 20 5 DHBDRO C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872083888 1031478851 /nfs/dbraw/zinc/47/88/51/1031478851.db2.gz BXCOQWATXMORPP-NOZJJQNGSA-N 1 0 302.296 3.820 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000360663225 1031513427 /nfs/dbraw/zinc/51/34/27/1031513427.db2.gz JINVAMBSXNKMAP-IBGZPJMESA-N 1 0 324.380 3.616 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000872135502 1031529797 /nfs/dbraw/zinc/52/97/97/1031529797.db2.gz HVGNJQVVGSHDOR-KKXDTOCCSA-N 1 0 314.385 3.758 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000537310352 1031568127 /nfs/dbraw/zinc/56/81/27/1031568127.db2.gz HQYQNHAJQOXKGS-ZJNRKIDTSA-N 1 0 312.369 3.638 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC001171188573 1031622319 /nfs/dbraw/zinc/62/23/19/1031622319.db2.gz DBKAWXUIZQQDOO-HZSPNIEDSA-N 1 0 306.406 3.908 20 5 DHBDRO CC1([NH+]2CCCCC2)CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000872666737 1031640207 /nfs/dbraw/zinc/64/02/07/1031640207.db2.gz ZSYSEVJGYFCYEJ-UHFFFAOYSA-N 1 0 309.435 3.501 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccccc1N(C)C ZINC000873055614 1031702268 /nfs/dbraw/zinc/70/22/68/1031702268.db2.gz KSFFZUKSDBEBLE-UHFFFAOYSA-N 1 0 313.401 3.567 20 5 DHBDRO COc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c(F)c1 ZINC000873076305 1031703523 /nfs/dbraw/zinc/70/35/23/1031703523.db2.gz GRTPMFDYASMJCL-UHFFFAOYSA-N 1 0 318.348 3.649 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000873099924 1031708422 /nfs/dbraw/zinc/70/84/22/1031708422.db2.gz GDHWVHFTRFOLRK-WMLDXEAASA-N 1 0 306.406 3.505 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000873104803 1031713439 /nfs/dbraw/zinc/71/34/39/1031713439.db2.gz QZPPJTRBHNPTML-UKRRQHHQSA-N 1 0 306.406 3.506 20 5 DHBDRO Cc1nc(NCCCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000760451509 1031725329 /nfs/dbraw/zinc/72/53/29/1031725329.db2.gz ASMAFDQSBPAYGK-UHFFFAOYSA-N 1 0 320.437 3.756 20 5 DHBDRO CC(C)OC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000873167509 1031736144 /nfs/dbraw/zinc/73/61/44/1031736144.db2.gz WELZJEQRRIOABP-YVMONPNESA-N 1 0 304.390 3.545 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H](O)c1ccccc1 ZINC000873193441 1031751486 /nfs/dbraw/zinc/75/14/86/1031751486.db2.gz CFGZWFVSIVPUGR-SJLPKXTDSA-N 1 0 314.385 3.505 20 5 DHBDRO Cc1ccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846039102 1031833430 /nfs/dbraw/zinc/83/34/30/1031833430.db2.gz UAXCGTOIUACTGS-UONOGXRCSA-N 1 0 300.761 3.698 20 5 DHBDRO COCC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCC1 ZINC000361284844 1031835839 /nfs/dbraw/zinc/83/58/39/1031835839.db2.gz AZBLFQAABUTHJK-UHFFFAOYSA-N 1 0 306.406 3.622 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)cs1 ZINC000846101439 1031872982 /nfs/dbraw/zinc/87/29/82/1031872982.db2.gz CUPTZKWJTVHAHM-VIFPVBQESA-N 1 0 309.218 3.720 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000846103272 1031875599 /nfs/dbraw/zinc/87/55/99/1031875599.db2.gz VQNDEJOSAWHVPT-LLVKDONJSA-N 1 0 303.189 3.658 20 5 DHBDRO C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846192078 1031923593 /nfs/dbraw/zinc/92/35/93/1031923593.db2.gz WEAJIQPXUTZWJQ-ZLKJLUDKSA-N 1 0 300.761 3.950 20 5 DHBDRO CCC[N@H+](CC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000124842549 1031980924 /nfs/dbraw/zinc/98/09/24/1031980924.db2.gz WLHYNQVNQRQKHX-UHFFFAOYSA-N 1 0 301.184 3.589 20 5 DHBDRO C[C@@H]1CC=CC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000898223729 1032006744 /nfs/dbraw/zinc/00/67/44/1032006744.db2.gz DGADXPRQOFCAQS-RDTXWAMCSA-N 1 0 315.417 3.508 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000136891581 1033315086 /nfs/dbraw/zinc/31/50/86/1033315086.db2.gz QSYQACRTTJGJDV-HUUCEWRRSA-N 1 0 318.398 3.527 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(CNc3cc4c(c[nH+]3)CCCC4)nc2c1 ZINC000877544804 1033348826 /nfs/dbraw/zinc/34/88/26/1033348826.db2.gz XUXOOXHKURQZNS-UHFFFAOYSA-N 1 0 324.340 3.622 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000477861449 1033359002 /nfs/dbraw/zinc/35/90/02/1033359002.db2.gz NJWAWSWVHHYWHD-KBXCAEBGSA-N 1 0 320.433 3.885 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)O1 ZINC000877681275 1033409386 /nfs/dbraw/zinc/40/93/86/1033409386.db2.gz FVLFXVPPGGUZQL-RWYTXXIDSA-N 1 0 319.188 3.557 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1Cl ZINC000877711060 1033420954 /nfs/dbraw/zinc/42/09/54/1033420954.db2.gz VRKOHQJQZIRVDJ-BBRMVZONSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCSC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927041083 1033421394 /nfs/dbraw/zinc/42/13/94/1033421394.db2.gz YBBUEASLYZLCOB-WCQYABFASA-N 1 0 321.446 3.646 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCc3cccnc31)CC2 ZINC001172901437 1033434390 /nfs/dbraw/zinc/43/43/90/1033434390.db2.gz NDWOPBXNWLOBJU-SJLPKXTDSA-N 1 0 323.396 3.514 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccncc1 ZINC001172897336 1033434606 /nfs/dbraw/zinc/43/46/06/1033434606.db2.gz ZKDSXUPKAXGDRE-CXAGYDPISA-N 1 0 311.385 3.588 20 5 DHBDRO CC(C)(C)OCCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904367 1033436846 /nfs/dbraw/zinc/43/68/46/1033436846.db2.gz MYUCXEHEWJSSRG-INIZCTEOSA-N 1 0 320.433 3.637 20 5 DHBDRO C[C@@]1(F)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906114 1033436907 /nfs/dbraw/zinc/43/69/07/1033436907.db2.gz WILNKDKVPPEXOL-NVXWUHKLSA-N 1 0 306.381 3.666 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCC(F)(F)F)CC2 ZINC001172903720 1033437395 /nfs/dbraw/zinc/43/73/95/1033437395.db2.gz SQRQMWAPUFQZHG-CYBMUJFWSA-N 1 0 316.323 3.774 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C[C@H]1c1ccccc1)CC2 ZINC001172902521 1033437967 /nfs/dbraw/zinc/43/79/67/1033437967.db2.gz ZERVYFDDEFBFJT-IHPCNDPISA-N 1 0 322.408 3.988 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCc3ncccc31)CC2 ZINC001172902710 1033438046 /nfs/dbraw/zinc/43/80/46/1033438046.db2.gz LUPXSWBPTXZGHK-HNAYVOBHSA-N 1 0 323.396 3.514 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC[C@H]3C=CCC3)nc2c1 ZINC000877807919 1033460123 /nfs/dbraw/zinc/46/01/23/1033460123.db2.gz YSQCLSKKVFOSAG-LBPRGKRZSA-N 1 0 301.346 3.572 20 5 DHBDRO Cc1cc2c(cn1)C[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172919881 1033467247 /nfs/dbraw/zinc/46/72/47/1033467247.db2.gz HTPWIVFQMRLZJS-GOSISDBHSA-N 1 0 323.396 3.561 20 5 DHBDRO Cc1c(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)cccc1[N+](=O)[O-] ZINC000478503868 1033496126 /nfs/dbraw/zinc/49/61/26/1033496126.db2.gz BITKAQRWEROTOI-HOTGVXAUSA-N 1 0 306.406 3.585 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000152618192 1033531512 /nfs/dbraw/zinc/53/15/12/1033531512.db2.gz LVWDRNFLDJFOAD-STQMWFEESA-N 1 0 315.373 3.800 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC(C)(C)C)c1F ZINC001173175792 1033580252 /nfs/dbraw/zinc/58/02/52/1033580252.db2.gz SUSIMSVZRSMSDI-LLVKDONJSA-N 1 0 312.385 3.699 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cccs2)c1F ZINC001173175114 1033580288 /nfs/dbraw/zinc/58/02/88/1033580288.db2.gz KZPAREHJXSBKIA-JTQLQIEISA-N 1 0 324.377 3.525 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)C(C)(C)C)c1F ZINC001173175138 1033580782 /nfs/dbraw/zinc/58/07/82/1033580782.db2.gz AKVSHEKCKLFFAU-GHMZBOCLSA-N 1 0 312.385 3.698 20 5 DHBDRO CCCC[C@@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173179542 1033581188 /nfs/dbraw/zinc/58/11/88/1033581188.db2.gz MDEPMCVRHSEGAE-NEPJUHHUSA-N 1 0 312.385 3.842 20 5 DHBDRO CCCCCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175456 1033581922 /nfs/dbraw/zinc/58/19/22/1033581922.db2.gz NQAYKCHQJGOXSH-LBPRGKRZSA-N 1 0 312.385 3.843 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)CC(C)C)c1F ZINC001173175438 1033581976 /nfs/dbraw/zinc/58/19/76/1033581976.db2.gz CGCCKHGJVIKTLD-NWDGAFQWSA-N 1 0 312.385 3.698 20 5 DHBDRO CCC(CC)C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175868 1033582020 /nfs/dbraw/zinc/58/20/20/1033582020.db2.gz UGTDTOYEEODSNH-LLVKDONJSA-N 1 0 312.385 3.699 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2ccoc2)c1F ZINC001173185661 1033582920 /nfs/dbraw/zinc/58/29/20/1033582920.db2.gz CGFXKSNLKHLSID-GHMZBOCLSA-N 1 0 322.336 3.617 20 5 DHBDRO CCCCC[N@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184781 1033583756 /nfs/dbraw/zinc/58/37/56/1033583756.db2.gz OXSSXIPOXMCJQT-GFCCVEGCSA-N 1 0 312.385 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H](C)CC2)c1F ZINC001173182802 1033584467 /nfs/dbraw/zinc/58/44/67/1033584467.db2.gz UHSVQBQCRJNRLR-QWHCGFSZSA-N 1 0 324.396 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C2CCCCC2)c1F ZINC001173185940 1033584683 /nfs/dbraw/zinc/58/46/83/1033584683.db2.gz QCBDPONNFXLUEW-LBPRGKRZSA-N 1 0 324.396 3.938 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC2(C1)CC(F)(F)C2 ZINC001173222669 1033602200 /nfs/dbraw/zinc/60/22/00/1033602200.db2.gz YNFCRINSNMEENQ-LLVKDONJSA-N 1 0 310.344 3.693 20 5 DHBDRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001173224290 1033603884 /nfs/dbraw/zinc/60/38/84/1033603884.db2.gz DGXPCCMLMASIOJ-KBXCAEBGSA-N 1 0 313.401 3.908 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001173229508 1033605622 /nfs/dbraw/zinc/60/56/22/1033605622.db2.gz VGRYZWUBFFYMPI-OLZOCXBDSA-N 1 0 312.360 3.893 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc(F)c1F ZINC001173230230 1033605909 /nfs/dbraw/zinc/60/59/09/1033605909.db2.gz CZYFXCGWEDAGKA-LBPRGKRZSA-N 1 0 320.339 3.936 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)Cc1cccnc1 ZINC001173227506 1033606221 /nfs/dbraw/zinc/60/62/21/1033606221.db2.gz GLKXXUPJKSDIIZ-AWEZNQCLSA-N 1 0 313.401 3.532 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001173228382 1033606291 /nfs/dbraw/zinc/60/62/91/1033606291.db2.gz VTXOBXIQDUQEOQ-YPMHNXCESA-N 1 0 316.323 3.800 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](Cc1ccco1)C1CC1 ZINC001173230279 1033606358 /nfs/dbraw/zinc/60/63/58/1033606358.db2.gz DNUGVCBCLIEQBW-CYBMUJFWSA-N 1 0 300.358 3.783 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)c1ccc(O)cc1 ZINC001173233179 1033609181 /nfs/dbraw/zinc/60/91/81/1033609181.db2.gz HJDFSOWGXDTKHD-ZIAGYGMSSA-N 1 0 314.385 3.625 20 5 DHBDRO Cc1cccc(OCC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173233598 1033609584 /nfs/dbraw/zinc/60/95/84/1033609584.db2.gz JTVFVHDWKNGVGI-OAHLLOKOSA-N 1 0 314.385 3.503 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)c(F)cc1F ZINC001173213233 1033614561 /nfs/dbraw/zinc/61/45/61/1033614561.db2.gz HCPXENMUKDHXPG-JTQLQIEISA-N 1 0 324.302 3.733 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(F)c2C)cc1[N+](=O)[O-] ZINC000862284472 1033809991 /nfs/dbraw/zinc/80/99/91/1033809991.db2.gz ZORPQGRNNORMTF-GFCCVEGCSA-N 1 0 303.337 3.597 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000927127874 1033987126 /nfs/dbraw/zinc/98/71/26/1033987126.db2.gz KOMIZLSHEQBTBK-CJNGLKHVSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1csc([C@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880010431 1034184454 /nfs/dbraw/zinc/18/44/54/1034184454.db2.gz UEKLCQWLWFWZRN-JSGCOSHPSA-N 1 0 317.414 3.910 20 5 DHBDRO COCc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000178654434 1034254610 /nfs/dbraw/zinc/25/46/10/1034254610.db2.gz PYJQSDWEVHMGHH-GFCCVEGCSA-N 1 0 318.348 3.731 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC(C)(C)O1 ZINC000480511125 1034276081 /nfs/dbraw/zinc/27/60/81/1034276081.db2.gz LBOKHEKHEHCOKT-INIZCTEOSA-N 1 0 306.406 3.763 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880466348 1034338712 /nfs/dbraw/zinc/33/87/12/1034338712.db2.gz MYPJJXYWAMUMJY-SMDDNHRTSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C)([NH+]2CCC2)CC1 ZINC000880473588 1034343426 /nfs/dbraw/zinc/34/34/26/1034343426.db2.gz JPWMWFCQNNXYJD-HNNXBMFYSA-N 1 0 317.433 3.524 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000480667550 1034382106 /nfs/dbraw/zinc/38/21/06/1034382106.db2.gz RQSPZXWQLRDHDB-MNOVXSKESA-N 1 0 304.312 3.704 20 5 DHBDRO C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000480693191 1034404772 /nfs/dbraw/zinc/40/47/72/1034404772.db2.gz JSSHHIMPOABZKA-KSSFIOAISA-N 1 0 319.449 3.756 20 5 DHBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865460960 1034655834 /nfs/dbraw/zinc/65/58/34/1034655834.db2.gz SCVYTDDSGBMLFL-LLVKDONJSA-N 1 0 313.348 3.676 20 5 DHBDRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000186770874 1034660733 /nfs/dbraw/zinc/66/07/33/1034660733.db2.gz AWHFVGCAFXGSHC-PWSUYJOCSA-N 1 0 305.403 3.814 20 5 DHBDRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000186776452 1034660981 /nfs/dbraw/zinc/66/09/81/1034660981.db2.gz YVRLQFMHYFXDNM-CMPLNLGQSA-N 1 0 305.403 3.814 20 5 DHBDRO CC(C)CC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000481709838 1034946566 /nfs/dbraw/zinc/94/65/66/1034946566.db2.gz ARBXOKZZJPYTFP-KRWDZBQOSA-N 1 0 308.422 3.602 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000481976073 1035039481 /nfs/dbraw/zinc/03/94/81/1035039481.db2.gz XROYFRFTWWSINV-JKSUJKDBSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCN2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000482627043 1035149665 /nfs/dbraw/zinc/14/96/65/1035149665.db2.gz GRGBGVUPQOVPRP-DZKIICNBSA-N 1 0 319.449 3.817 20 5 DHBDRO Nc1cc2nc3ccccc3nc2cc1Nc1ccc(C[NH3+])cc1 ZINC001175968936 1035170117 /nfs/dbraw/zinc/17/01/17/1035170117.db2.gz PONIBSRRCDMJJW-UHFFFAOYSA-N 1 0 315.380 3.568 20 5 DHBDRO C[C@@H]([NH2+][C@H]1C[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001176029885 1035188068 /nfs/dbraw/zinc/18/80/68/1035188068.db2.gz WSFLJIKGKVNYRQ-NVGVWMPQSA-N 1 0 300.333 3.941 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC1CC1)CC1CCC1 ZINC000483268371 1035249339 /nfs/dbraw/zinc/24/93/39/1035249339.db2.gz ORQRWDODOBNOSI-UHFFFAOYSA-N 1 0 304.390 3.616 20 5 DHBDRO Cc1ncc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001176396580 1035266095 /nfs/dbraw/zinc/26/60/95/1035266095.db2.gz UZZSNPAYHOLVBV-UHFFFAOYSA-N 1 0 301.353 3.812 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSCC[C@H]1C ZINC000483424814 1035268375 /nfs/dbraw/zinc/26/83/75/1035268375.db2.gz GEYUGRNJRNYPMM-JWAFFJSPSA-N 1 0 306.431 3.826 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccc(F)cc1 ZINC000483624632 1035285017 /nfs/dbraw/zinc/28/50/17/1035285017.db2.gz LMMZZFDXOZFMTK-OLZOCXBDSA-N 1 0 318.348 3.852 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC001177624842 1035385163 /nfs/dbraw/zinc/38/51/63/1035385163.db2.gz WAEMBMCNSWLXLK-GOSISDBHSA-N 1 0 320.433 3.749 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1NCc1ccc(-n2ccnc2)cc1 ZINC000042929834 1035421865 /nfs/dbraw/zinc/42/18/65/1035421865.db2.gz VETFPJZQEQCIPH-UHFFFAOYSA-N 1 0 312.304 3.532 20 5 DHBDRO CO[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC(C)C ZINC001178978379 1035456287 /nfs/dbraw/zinc/45/62/87/1035456287.db2.gz WGVVPNQWPCJKAT-CRPZLVSXSA-N 1 0 306.406 3.649 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC(C)(C)CC[C@H]1C ZINC001180310644 1035641439 /nfs/dbraw/zinc/64/14/39/1035641439.db2.gz NKZPHTJJKPDJPT-IUODEOHRSA-N 1 0 306.406 3.908 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494699989 1035778932 /nfs/dbraw/zinc/77/89/32/1035778932.db2.gz AJCNDYSZYSLEOI-ZFWWWQNUSA-N 1 0 304.390 3.547 20 5 DHBDRO CCS[C@@H]1CC[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000076069431 1035802787 /nfs/dbraw/zinc/80/27/87/1035802787.db2.gz XAZWUZFMBOSXKP-VXGBXAGGSA-N 1 0 312.410 3.840 20 5 DHBDRO CCS[C@@H]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000076069426 1035804138 /nfs/dbraw/zinc/80/41/38/1035804138.db2.gz XAZWUZFMBOSXKP-NWDGAFQWSA-N 1 0 312.410 3.840 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000539667718 1035822373 /nfs/dbraw/zinc/82/23/73/1035822373.db2.gz JSWMMIBNBMFWNG-XJKSGUPXSA-N 1 0 312.369 3.558 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000446889170 1035922114 /nfs/dbraw/zinc/92/21/14/1035922114.db2.gz SRTJVVOZWQAUGP-OWCLPIDISA-N 1 0 317.433 3.745 20 5 DHBDRO CS[C@H]1CCCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000539900453 1035926411 /nfs/dbraw/zinc/92/64/11/1035926411.db2.gz SUOTXMLDHFUHAT-LYASGUKUSA-N 1 0 306.431 3.826 20 5 DHBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000252209859 1035941888 /nfs/dbraw/zinc/94/18/88/1035941888.db2.gz WASVFEWCECDWBE-NWDGAFQWSA-N 1 0 311.813 3.781 20 5 DHBDRO C[N@H+](CCCc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000485799831 1035973557 /nfs/dbraw/zinc/97/35/57/1035973557.db2.gz JUSLZFFTNFWUEZ-UHFFFAOYSA-N 1 0 302.349 3.799 20 5 DHBDRO Cc1ccc(OCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000540174832 1035994923 /nfs/dbraw/zinc/99/49/23/1035994923.db2.gz AOPRQILEXYITAQ-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000152917801 1036035280 /nfs/dbraw/zinc/03/52/80/1036035280.db2.gz OEEGBMNQAFUKJF-KRWDZBQOSA-N 1 0 304.390 3.518 20 5 DHBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)CO1 ZINC000076147784 1036047774 /nfs/dbraw/zinc/04/77/74/1036047774.db2.gz QAIXKWDJNJBVEP-KDOFPFPSSA-N 1 0 312.369 3.557 20 5 DHBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000773961615 1036071956 /nfs/dbraw/zinc/07/19/56/1036071956.db2.gz SOHKMDRUDHLXRH-INIZCTEOSA-N 1 0 310.369 3.515 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2[nH]1 ZINC000775625202 1036088109 /nfs/dbraw/zinc/08/81/09/1036088109.db2.gz BAGOSRBAAPLFSF-ZDUSSCGKSA-N 1 0 309.369 3.969 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000494974803 1036158685 /nfs/dbraw/zinc/15/86/85/1036158685.db2.gz CZYXPOGAODKLGQ-ZDMBXUJBSA-N 1 0 302.296 3.748 20 5 DHBDRO C[C@@H](CCCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000088763157 1036216351 /nfs/dbraw/zinc/21/63/51/1036216351.db2.gz XYUJHHLDEOSMRW-LBPRGKRZSA-N 1 0 320.414 3.574 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCNc1ccccc1)CCC2 ZINC000774220295 1036248353 /nfs/dbraw/zinc/24/83/53/1036248353.db2.gz VMONRCFAEUNUND-SFHVURJKSA-N 1 0 311.385 3.674 20 5 DHBDRO C[C@@H](Cc1ccsc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000541234896 1036267572 /nfs/dbraw/zinc/26/75/72/1036267572.db2.gz RXAXBMGFUJWWNE-LBPRGKRZSA-N 1 0 302.399 3.646 20 5 DHBDRO C[NH+](C)CCNC(=O)CCc1c2ccccc2cc2ccccc21 ZINC001182409780 1036269366 /nfs/dbraw/zinc/26/93/66/1036269366.db2.gz LHQLRJAAZVNAER-UHFFFAOYSA-N 1 0 320.436 3.603 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000541559442 1036363641 /nfs/dbraw/zinc/36/36/41/1036363641.db2.gz RRWUVTRJDPOQAN-QLFBSQMISA-N 1 0 306.406 3.759 20 5 DHBDRO COc1ccc2c(c1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000609133992 1036395664 /nfs/dbraw/zinc/39/56/64/1036395664.db2.gz VPWWDHUIKCOABX-UHFFFAOYSA-N 1 0 312.369 3.552 20 5 DHBDRO CCOc1c(Cl)cccc1CNCc1ccccc1[N+](=O)[O-] ZINC000486934384 1036477229 /nfs/dbraw/zinc/47/72/29/1036477229.db2.gz BHKQWNUZAZPQKI-UHFFFAOYSA-N 1 0 320.776 3.937 20 5 DHBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000542053489 1036502864 /nfs/dbraw/zinc/50/28/64/1036502864.db2.gz URIMHSUVFAEPFD-CFVMTHIKSA-N 1 0 304.390 3.614 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)cs1 ZINC000491594563 1036609636 /nfs/dbraw/zinc/60/96/36/1036609636.db2.gz RJAHYUZDJONZPO-SNVBAGLBSA-N 1 0 304.362 3.962 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000495416026 1036623140 /nfs/dbraw/zinc/62/31/40/1036623140.db2.gz WEUSWHSZTPQYIT-BBRMVZONSA-N 1 0 320.433 3.852 20 5 DHBDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC001183653169 1036641895 /nfs/dbraw/zinc/64/18/95/1036641895.db2.gz ZVMDVIDYBUIPRJ-WQVCFCJDSA-N 1 0 306.406 3.839 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C/C=C\c2ccncc2)cc1 ZINC000487315469 1036662947 /nfs/dbraw/zinc/66/29/47/1036662947.db2.gz GOLQCXPMQHOIPV-HYXAFXHYSA-N 1 0 311.385 3.616 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C3CCC3)CC2)cc1 ZINC001197202081 1036704948 /nfs/dbraw/zinc/70/49/48/1036704948.db2.gz LORFEQRAMPSWAC-QAPCUYQASA-N 1 0 318.417 3.530 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](C3CCC3)CC2)cc1 ZINC001197201374 1036706685 /nfs/dbraw/zinc/70/66/85/1036706685.db2.gz CONUZHZZIDQHTO-MRXNPFEDSA-N 1 0 318.417 3.876 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](C3CCC3)CC2)cc1 ZINC001197201373 1036707183 /nfs/dbraw/zinc/70/71/83/1036707183.db2.gz CONUZHZZIDQHTO-INIZCTEOSA-N 1 0 318.417 3.876 20 5 DHBDRO CC[C@H]1C[C@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000492193278 1036782190 /nfs/dbraw/zinc/78/21/90/1036782190.db2.gz NWTPEWOQVSVOQD-KGLIPLIRSA-N 1 0 306.406 3.625 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000492391732 1036860754 /nfs/dbraw/zinc/86/07/54/1036860754.db2.gz AOWWTTWHZMUTAH-HNNXBMFYSA-N 1 0 304.390 3.758 20 5 DHBDRO COc1cc(C[N@@H+]2CCCC23CCCCC3)ccc1[N+](=O)[O-] ZINC000492662095 1036957527 /nfs/dbraw/zinc/95/75/27/1036957527.db2.gz UUXMUUUPNXLHBB-UHFFFAOYSA-N 1 0 304.390 3.902 20 5 DHBDRO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(C)CC1 ZINC001198407536 1037017242 /nfs/dbraw/zinc/01/72/42/1037017242.db2.gz WGJKCGNFQFQIPZ-NSHDSACASA-N 1 0 301.346 3.528 20 5 DHBDRO Cc1cc(NC[C@H](C)C[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000489015975 1037224534 /nfs/dbraw/zinc/22/45/34/1037224534.db2.gz QNYYDWSDONCIAF-VIFPVBQESA-N 1 0 319.327 3.532 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000323767113 1037393656 /nfs/dbraw/zinc/39/36/56/1037393656.db2.gz WOJKDTMEKCXMEG-LBPRGKRZSA-N 1 0 313.195 3.636 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000489501755 1037455369 /nfs/dbraw/zinc/45/53/69/1037455369.db2.gz QMVUTLMHYIZLHL-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC001187024424 1037546271 /nfs/dbraw/zinc/54/62/71/1037546271.db2.gz DSQKHJXXPIWWFC-UONOGXRCSA-N 1 0 309.797 3.533 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@H](C4CC4)C3)c2c1 ZINC000763334251 1037591171 /nfs/dbraw/zinc/59/11/71/1037591171.db2.gz VTEUMGQHWSZIEY-NSHDSACASA-N 1 0 319.386 3.561 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000090772820 1037594425 /nfs/dbraw/zinc/59/44/25/1037594425.db2.gz RCUIEXMEURQOSZ-GFCCVEGCSA-N 1 0 304.390 3.834 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000490090301 1037608942 /nfs/dbraw/zinc/60/89/42/1037608942.db2.gz PXTSDILIFKBKBI-ZDUSSCGKSA-N 1 0 322.405 3.628 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 ZINC000491075832 1037894167 /nfs/dbraw/zinc/89/41/67/1037894167.db2.gz ILNJMYOMGTZHGM-CYBMUJFWSA-N 1 0 318.323 3.863 20 5 DHBDRO CSC(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154215844 1038010388 /nfs/dbraw/zinc/01/03/88/1038010388.db2.gz JALDKHSAIHYQPV-AWEZNQCLSA-N 1 0 308.447 3.647 20 5 DHBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000494503914 1038114871 /nfs/dbraw/zinc/11/48/71/1038114871.db2.gz HMFFPAQLTBXOBO-KSSFIOAISA-N 1 0 314.385 3.769 20 5 DHBDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000164643770 1038236948 /nfs/dbraw/zinc/23/69/48/1038236948.db2.gz QTFYWOWVPNASBT-AWEZNQCLSA-N 1 0 316.405 3.539 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001190528948 1038337164 /nfs/dbraw/zinc/33/71/64/1038337164.db2.gz OPQVZPHOLMXYSS-ZWKOTPCHSA-N 1 0 318.417 3.763 20 5 DHBDRO C[C@@H]1CCC[C@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001190590207 1038351906 /nfs/dbraw/zinc/35/19/06/1038351906.db2.gz WOWUEVCRUYTVFV-ZBFHGGJFSA-N 1 0 306.406 3.874 20 5 DHBDRO C[C@H]1[C@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000588854686 1038387718 /nfs/dbraw/zinc/38/77/18/1038387718.db2.gz AMPDOGPEJFXCEI-GXTWGEPZSA-N 1 0 317.414 3.731 20 5 DHBDRO CN(C)c1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000590020176 1038567428 /nfs/dbraw/zinc/56/74/28/1038567428.db2.gz GRSMFXMBJUPYCJ-UHFFFAOYSA-N 1 0 313.401 3.686 20 5 DHBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001192173266 1038597915 /nfs/dbraw/zinc/59/79/15/1038597915.db2.gz HLALPGJZLCQODO-YOEHRIQHSA-N 1 0 306.406 3.874 20 5 DHBDRO Cc1ncsc1CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001192673648 1038690067 /nfs/dbraw/zinc/69/00/67/1038690067.db2.gz PSDUMELCIYRCMO-NSHDSACASA-N 1 0 305.403 3.643 20 5 DHBDRO C[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000590780195 1038703442 /nfs/dbraw/zinc/70/34/42/1038703442.db2.gz YHYQNZQALKRMGY-JKDOVBDQSA-N 1 0 314.332 3.796 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000045733266 1038786570 /nfs/dbraw/zinc/78/65/70/1038786570.db2.gz RRTLHHNPRXQTCW-AWEZNQCLSA-N 1 0 309.366 3.510 20 5 DHBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000061014143 1038860740 /nfs/dbraw/zinc/86/07/40/1038860740.db2.gz NDWBAQNWLMMITP-UHFFFAOYSA-N 1 0 313.401 3.519 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000598985520 1038979716 /nfs/dbraw/zinc/97/97/16/1038979716.db2.gz QZKJCVDZYCQRTC-CQSZACIVSA-N 1 0 306.406 3.625 20 5 DHBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000599017398 1039000660 /nfs/dbraw/zinc/00/06/60/1039000660.db2.gz YKTFRFNXVIAESG-MQMHXKEQSA-N 1 0 318.398 3.590 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085421 1039034350 /nfs/dbraw/zinc/03/43/50/1039034350.db2.gz QAVJZBXXXIEUJW-HYVNUMGLSA-N 1 0 304.390 3.593 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[N@H+](C2CC2)C2CCCCC2)c1 ZINC000061162587 1039059871 /nfs/dbraw/zinc/05/98/71/1039059871.db2.gz SFKJPFJNVIHCQF-UHFFFAOYSA-N 1 0 304.390 3.771 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593696017 1039087125 /nfs/dbraw/zinc/08/71/25/1039087125.db2.gz ATZGKNJDOWPEGX-CUXKMMBLSA-N 1 0 308.328 3.729 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000593714812 1039092879 /nfs/dbraw/zinc/09/28/79/1039092879.db2.gz BQHWDUZXYHYURT-ACJLOTCBSA-N 1 0 318.417 3.759 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C2CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000593721566 1039108473 /nfs/dbraw/zinc/10/84/73/1039108473.db2.gz PRPZSRCKYHFGAR-GFCCVEGCSA-N 1 0 304.390 3.977 20 5 DHBDRO Cc1c(NC(=O)CC[N@@H+](C)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000592145493 1039137501 /nfs/dbraw/zinc/13/75/01/1039137501.db2.gz WJEUHSZCJAPKAY-UHFFFAOYSA-N 1 0 321.421 3.600 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183146 1039162793 /nfs/dbraw/zinc/16/27/93/1039162793.db2.gz RURKPMQXSBNOEL-KGLIPLIRSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000592380903 1039184306 /nfs/dbraw/zinc/18/43/06/1039184306.db2.gz UKAIXKCOGTXJIL-IAQYHMDHSA-N 1 0 318.398 3.838 20 5 DHBDRO CCCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000574085324 1039388035 /nfs/dbraw/zinc/38/80/35/1039388035.db2.gz ZKOCWFBLPZZSAO-AWEZNQCLSA-N 1 0 321.421 3.742 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000592398079 1039443763 /nfs/dbraw/zinc/44/37/63/1039443763.db2.gz HVBOIYKIANGCBC-NZVBXONLSA-N 1 0 306.431 3.801 20 5 DHBDRO CC(C)[C@@H](CNc1ccsc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000604432734 1039475206 /nfs/dbraw/zinc/47/52/06/1039475206.db2.gz WPLFZZGMMIURDE-CQSZACIVSA-N 1 0 311.451 3.825 20 5 DHBDRO CCC[C@H]([NH2+]CCC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000593718410 1039591547 /nfs/dbraw/zinc/59/15/47/1039591547.db2.gz GWBXCXYHGXEDDO-INIZCTEOSA-N 1 0 306.406 3.578 20 5 DHBDRO COC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000594502869 1039803901 /nfs/dbraw/zinc/80/39/01/1039803901.db2.gz RVJTZKRYJBXZJD-IRXDYDNUSA-N 1 0 312.369 3.559 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c(Cl)c1 ZINC000594509026 1039806707 /nfs/dbraw/zinc/80/67/07/1039806707.db2.gz GSWVWUUKXIAEEA-JKSUJKDBSA-N 1 0 324.808 3.686 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594510343 1039812387 /nfs/dbraw/zinc/81/23/87/1039812387.db2.gz IUTSKECIYOJYTI-KKXDTOCCSA-N 1 0 318.417 3.902 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCCN2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594522519 1039827587 /nfs/dbraw/zinc/82/75/87/1039827587.db2.gz ZCKJFLPTPCFEMI-BZSNNMDCSA-N 1 0 317.433 3.652 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594520844 1039828007 /nfs/dbraw/zinc/82/80/07/1039828007.db2.gz QBQMQWLQIBLRTD-JLJPHGGASA-N 1 0 306.406 3.902 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000594521169 1039831427 /nfs/dbraw/zinc/83/14/27/1039831427.db2.gz SAOSXHFJQWXINV-XJKSGUPXSA-N 1 0 316.401 3.664 20 5 DHBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000230698561 1039957949 /nfs/dbraw/zinc/95/79/49/1039957949.db2.gz DUJLLAJBSXTFMS-ZYHUDNBSSA-N 1 0 300.811 3.622 20 5 DHBDRO Cc1cc(F)ccc1C[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594957853 1039962988 /nfs/dbraw/zinc/96/29/88/1039962988.db2.gz VNGVTXUSHRKAPA-LLVKDONJSA-N 1 0 308.378 3.825 20 5 DHBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CO1 ZINC000594967714 1039970580 /nfs/dbraw/zinc/97/05/80/1039970580.db2.gz UWZGDFMCQUDWHF-ZDUSSCGKSA-N 1 0 316.357 3.512 20 5 DHBDRO CC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000594980974 1039990741 /nfs/dbraw/zinc/99/07/41/1039990741.db2.gz VWKMNPNLSUHOJD-HNNXBMFYSA-N 1 0 317.414 3.997 20 5 DHBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000594989611 1040005111 /nfs/dbraw/zinc/00/51/11/1040005111.db2.gz VCRTYKLEPUCUHL-STQMWFEESA-N 1 0 324.446 3.872 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccsc1 ZINC000595003477 1040012975 /nfs/dbraw/zinc/01/29/75/1040012975.db2.gz HFHUVEMYPSIXOF-NSHDSACASA-N 1 0 306.387 3.558 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cc1cccs1 ZINC000595003886 1040013142 /nfs/dbraw/zinc/01/31/42/1040013142.db2.gz MSAAOWAEDKXWTE-RYUDHWBXSA-N 1 0 320.414 3.947 20 5 DHBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000595047301 1040047130 /nfs/dbraw/zinc/04/71/30/1040047130.db2.gz CXJGKROKVZININ-SCLBCKFNSA-N 1 0 311.385 3.761 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCCO1 ZINC000595046205 1040047574 /nfs/dbraw/zinc/04/75/74/1040047574.db2.gz JUNAUGIXZSUWEJ-RCBQFDQVSA-N 1 0 322.405 3.602 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000595084414 1040076109 /nfs/dbraw/zinc/07/61/09/1040076109.db2.gz FOTYKXAFXLLELM-SJORKVTESA-N 1 0 310.353 3.565 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000595093499 1040078070 /nfs/dbraw/zinc/07/80/70/1040078070.db2.gz BPKUSMNUAFCSIA-GUYCJALGSA-N 1 0 306.406 3.759 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCc2ccoc2)c2cc([N+](=O)[O-])ccc21 ZINC000595092489 1040078624 /nfs/dbraw/zinc/07/86/24/1040078624.db2.gz XQDOZAIJRQHRQE-MRXNPFEDSA-N 1 0 300.358 3.743 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCCc2nccs2)cc1[N+](=O)[O-] ZINC000076892491 1040088911 /nfs/dbraw/zinc/08/89/11/1040088911.db2.gz XOVPNWYERKOIAU-UHFFFAOYSA-N 1 0 319.430 3.897 20 5 DHBDRO Cc1noc(C[N@H+]2C[C@@H](c3ccccc3C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595323572 1040109341 /nfs/dbraw/zinc/10/93/41/1040109341.db2.gz ZKJKAIRKRVOLBB-OCCSQVGLSA-N 1 0 315.373 3.578 20 5 DHBDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595409906 1040131226 /nfs/dbraw/zinc/13/12/26/1040131226.db2.gz GZBJZKIPCPQELD-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000595408165 1040131616 /nfs/dbraw/zinc/13/16/16/1040131616.db2.gz IKLOVKJMIACIEA-MRXNPFEDSA-N 1 0 318.348 3.983 20 5 DHBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000595545532 1040170839 /nfs/dbraw/zinc/17/08/39/1040170839.db2.gz IZYLCUDRQHDQLQ-UHFFFAOYSA-N 1 0 310.369 3.512 20 5 DHBDRO Cc1noc(CNC2(c3cccc(Cl)c3)CCC2)c1[N+](=O)[O-] ZINC000595556353 1040173920 /nfs/dbraw/zinc/17/39/20/1040173920.db2.gz CRSZWUYGWLXAJF-UHFFFAOYSA-N 1 0 321.764 3.714 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@H]2c2c(C)cccc2C)c1[N+](=O)[O-] ZINC000595599781 1040200682 /nfs/dbraw/zinc/20/06/82/1040200682.db2.gz CHIRROPTUMJAMB-AWEZNQCLSA-N 1 0 315.373 3.845 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595756839 1040243317 /nfs/dbraw/zinc/24/33/17/1040243317.db2.gz XTAPUBCHJNWAGF-NSHDSACASA-N 1 0 300.761 3.820 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595785290 1040255370 /nfs/dbraw/zinc/25/53/70/1040255370.db2.gz DACGJCBYMJMLSA-WMLDXEAASA-N 1 0 322.380 3.515 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595787654 1040256238 /nfs/dbraw/zinc/25/62/38/1040256238.db2.gz FQSRPGYBVJXGIT-GUYCJALGSA-N 1 0 322.380 3.515 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](C4CCC4)C3)nc2c1 ZINC000595831557 1040266651 /nfs/dbraw/zinc/26/66/51/1040266651.db2.gz FTHDUDGOCWYCML-ZDUSSCGKSA-N 1 0 315.373 3.748 20 5 DHBDRO C[C@@H]1C[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000596154970 1040329767 /nfs/dbraw/zinc/32/97/67/1040329767.db2.gz GLJORNOEWNIEHU-KOLCDFICSA-N 1 0 311.332 3.570 20 5 DHBDRO C[C@@H]1C[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000596154972 1040331869 /nfs/dbraw/zinc/33/18/69/1040331869.db2.gz GLJORNOEWNIEHU-MWLCHTKSSA-N 1 0 311.332 3.570 20 5 DHBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[NH+](C)C ZINC000596428624 1040451992 /nfs/dbraw/zinc/45/19/92/1040451992.db2.gz FVJXKXHEENXWLV-GFCCVEGCSA-N 1 0 309.410 3.524 20 5 DHBDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596653177 1040522862 /nfs/dbraw/zinc/52/28/62/1040522862.db2.gz SCFSNXHYHXUBJC-OALUTQOASA-N 1 0 323.396 3.832 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174350036 1040629223 /nfs/dbraw/zinc/62/92/23/1040629223.db2.gz GIGGLRIVAARAGA-UONOGXRCSA-N 1 0 312.410 3.840 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2cccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000608982499 1040658741 /nfs/dbraw/zinc/65/87/41/1040658741.db2.gz OHSQPDOYNPXEMF-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H]2CCc3ccccc3N2)c1 ZINC000593318386 1040717553 /nfs/dbraw/zinc/71/75/53/1040717553.db2.gz OLOBRGXWHBSHNI-INIZCTEOSA-N 1 0 311.385 3.501 20 5 DHBDRO C[N@H+](CCOc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761240330 1040905858 /nfs/dbraw/zinc/90/58/58/1040905858.db2.gz WGIYCADGGBJSEH-UHFFFAOYSA-N 1 0 320.776 3.759 20 5 DHBDRO CC(C)([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602559875 1041095715 /nfs/dbraw/zinc/09/57/15/1041095715.db2.gz WYCYRNSPNRIADL-UHFFFAOYSA-N 1 0 319.224 3.697 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH+](C3CCC3)C3CCC3)nc2c1 ZINC000602675215 1041143055 /nfs/dbraw/zinc/14/30/55/1041143055.db2.gz ZIVOAWXBAQKGSZ-UHFFFAOYSA-N 1 0 301.346 3.643 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602855938 1041265312 /nfs/dbraw/zinc/26/53/12/1041265312.db2.gz QOZJJFKJXZJMSE-CQSZACIVSA-N 1 0 315.348 3.509 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602857966 1041265949 /nfs/dbraw/zinc/26/59/49/1041265949.db2.gz ZNAXGOMQBLNQQG-WMLDXEAASA-N 1 0 311.385 3.930 20 5 DHBDRO C[C@@H](CCCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000088762863 185264539 /nfs/dbraw/zinc/26/45/39/185264539.db2.gz BUCBCCGLYKIEPA-LBPRGKRZSA-N 1 0 320.414 3.574 20 5 DHBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090217913 334943959 /nfs/dbraw/zinc/94/39/59/334943959.db2.gz QEFKCUYFAOMLST-QRTARXTBSA-N 1 0 306.406 3.697 20 5 DHBDRO CCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000236906675 202064461 /nfs/dbraw/zinc/06/44/61/202064461.db2.gz VPLQGZMCWYKQCQ-UHFFFAOYSA-N 1 0 324.764 3.634 20 5 DHBDRO CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2Cl)CC(C)(C)[NH2+]1 ZINC000022357226 182319336 /nfs/dbraw/zinc/31/93/36/182319336.db2.gz YSNHIEXKALTADD-UHFFFAOYSA-N 1 0 311.813 3.969 20 5 DHBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193048985 335041531 /nfs/dbraw/zinc/04/15/31/335041531.db2.gz OFJFNEJXKRPFKS-SJORKVTESA-N 1 0 320.433 3.605 20 5 DHBDRO CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000104695269 194028295 /nfs/dbraw/zinc/02/82/95/194028295.db2.gz UYCZYPSVGZSVMK-UHFFFAOYSA-N 1 0 315.373 3.667 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000184222984 335064173 /nfs/dbraw/zinc/06/41/73/335064173.db2.gz RKPQQCPDRJNGHC-RISCZKNCSA-N 1 0 308.353 3.507 20 5 DHBDRO C[C@@H](C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000273109163 130090383 /nfs/dbraw/zinc/09/03/83/130090383.db2.gz XBXPNBSADARDOF-RYUDHWBXSA-N 1 0 305.403 3.848 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC[C@H]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000273271358 130102100 /nfs/dbraw/zinc/10/21/00/130102100.db2.gz OOSOBCRKESWDMJ-SNPRPXQTSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000279018466 130730667 /nfs/dbraw/zinc/73/06/67/130730667.db2.gz HLYCHYXAGUTOFV-PBFPGSCMSA-N 1 0 318.417 3.722 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284301325 131067821 /nfs/dbraw/zinc/06/78/21/131067821.db2.gz YPWYDDJLTVCXPQ-VXGBXAGGSA-N 1 0 315.373 3.597 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2COc3ccccc32)c1 ZINC000288526182 131329468 /nfs/dbraw/zinc/32/94/68/131329468.db2.gz JXJUZYCXFAWXMK-LBPRGKRZSA-N 1 0 318.760 3.514 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289484377 131390083 /nfs/dbraw/zinc/39/00/83/131390083.db2.gz IOROJLZPPYOOGI-COXVUDFISA-N 1 0 316.401 3.689 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000298988869 132085413 /nfs/dbraw/zinc/08/54/13/132085413.db2.gz PUQZEQOERXSJKF-RDTXWAMCSA-N 1 0 314.385 3.678 20 5 DHBDRO COCc1ccccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119574064 132134374 /nfs/dbraw/zinc/13/43/74/132134374.db2.gz HFKCHEFMSADQQM-CQSZACIVSA-N 1 0 314.385 3.900 20 5 DHBDRO Cc1cccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000317910946 332770579 /nfs/dbraw/zinc/77/05/79/332770579.db2.gz RDRNAKUHEIODFA-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCSC1 ZINC000530529267 331571684 /nfs/dbraw/zinc/57/16/84/331571684.db2.gz NIYRYULRMFWRSC-VXGBXAGGSA-N 1 0 312.460 3.561 20 5 DHBDRO COC[C@]1(C)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000449391345 332114838 /nfs/dbraw/zinc/11/48/38/332114838.db2.gz HYFMTEBRZLJVGZ-QGZVFWFLSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449463613 332237629 /nfs/dbraw/zinc/23/76/29/332237629.db2.gz WPTHBRPZDZPNJA-JQWIXIFHSA-N 1 0 302.296 3.758 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000408201457 332241105 /nfs/dbraw/zinc/24/11/05/332241105.db2.gz FMSRIMIXJGXCSK-UONOGXRCSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000561133459 332414997 /nfs/dbraw/zinc/41/49/97/332414997.db2.gz PHUUZWAUXIILME-MCIONIFRSA-N 1 0 321.396 3.576 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000151002676 332476137 /nfs/dbraw/zinc/47/61/37/332476137.db2.gz MPLCGIXAAKQCOE-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195347879 335111179 /nfs/dbraw/zinc/11/11/79/335111179.db2.gz PVDFUCDBRLPHHT-OCCSQVGLSA-N 1 0 317.414 3.992 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C(F)(F)F)C1 ZINC000562110117 332547966 /nfs/dbraw/zinc/54/79/66/332547966.db2.gz ALPHSYLCXQQUNN-QFWMXSHPSA-N 1 0 316.323 3.846 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC[C@@H]1CCCCO1 ZINC000566984123 332626186 /nfs/dbraw/zinc/62/61/86/332626186.db2.gz XBVAWUIRGQDUCN-XJKSGUPXSA-N 1 0 304.390 3.521 20 5 DHBDRO Cc1cc(NCC[C@@H]2CCCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302104610 332982823 /nfs/dbraw/zinc/98/28/23/332982823.db2.gz WUWHYYLHYUJXIG-AWEZNQCLSA-N 1 0 315.373 3.823 20 5 DHBDRO Cc1cc(NCCCOC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302165755 332984320 /nfs/dbraw/zinc/98/43/20/332984320.db2.gz KUMIWQCVVUVHEF-UHFFFAOYSA-N 1 0 303.362 3.678 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000314069989 333085693 /nfs/dbraw/zinc/08/56/93/333085693.db2.gz SSYCSSRLIDMEQJ-ZBFHGGJFSA-N 1 0 307.438 3.530 20 5 DHBDRO CCC(CC)[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000314289395 333098708 /nfs/dbraw/zinc/09/87/08/333098708.db2.gz XIISTHCKZGQOQZ-CXAGYDPISA-N 1 0 307.438 3.612 20 5 DHBDRO CO[C@](C)(C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000462815415 333118764 /nfs/dbraw/zinc/11/87/64/333118764.db2.gz CZMNCOMDTGMOTB-SJLPKXTDSA-N 1 0 318.417 3.722 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@@H]1c1ccccc1 ZINC000582132218 333152696 /nfs/dbraw/zinc/15/26/96/333152696.db2.gz FBEUMJFXZXEQSH-YQVWRLOYSA-N 1 0 324.380 3.702 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(F)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000179596780 333153059 /nfs/dbraw/zinc/15/30/59/333153059.db2.gz BARRWXSEEXUDQR-QGZVFWFLSA-N 1 0 318.348 3.983 20 5 DHBDRO Cc1ccc(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000390603557 333305697 /nfs/dbraw/zinc/30/56/97/333305697.db2.gz GGPARFCSNRZUKO-RDTXWAMCSA-N 1 0 319.449 3.503 20 5 DHBDRO COc1ccc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000525787622 333313695 /nfs/dbraw/zinc/31/36/95/333313695.db2.gz FUWIRZNOSSYMKD-SNPRPXQTSA-N 1 0 304.390 3.756 20 5 DHBDRO COc1ccc(CN2C[C@@H](C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000531378407 333347418 /nfs/dbraw/zinc/34/74/18/333347418.db2.gz ITQGUHQGJULZMN-ACJLOTCBSA-N 1 0 312.369 3.796 20 5 DHBDRO CCOC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000186537189 333374557 /nfs/dbraw/zinc/37/45/57/333374557.db2.gz ARUAPIRXGGCLPF-UHFFFAOYSA-N 1 0 318.373 3.760 20 5 DHBDRO COc1cc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000323538972 333378892 /nfs/dbraw/zinc/37/88/92/333378892.db2.gz ZMONQYLPENDFIM-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188666598 333384834 /nfs/dbraw/zinc/38/48/34/333384834.db2.gz DBGXIYRLRMWVCI-DYVFJYSZSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188666649 333384928 /nfs/dbraw/zinc/38/49/28/333384928.db2.gz DBGXIYRLRMWVCI-CXAGYDPISA-N 1 0 306.406 3.577 20 5 DHBDRO COc1ccccc1C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000391116478 333420482 /nfs/dbraw/zinc/42/04/82/333420482.db2.gz XPEDYXUVBBUWOE-CYBMUJFWSA-N 1 0 314.385 3.633 20 5 DHBDRO COc1ccccc1C1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000320030728 333421600 /nfs/dbraw/zinc/42/16/00/333421600.db2.gz PSVYUZLHRSOZIJ-UHFFFAOYSA-N 1 0 312.369 3.639 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000122564923 333448720 /nfs/dbraw/zinc/44/87/20/333448720.db2.gz IAHFWAHOBRAFTC-NSHDSACASA-N 1 0 314.817 3.566 20 5 DHBDRO Cc1ccc([C@@H](C)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000320217705 333455377 /nfs/dbraw/zinc/45/53/77/333455377.db2.gz UVGQSSZDQTZUTL-MRXNPFEDSA-N 1 0 319.449 3.676 20 5 DHBDRO CCOCC(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000567142054 333623415 /nfs/dbraw/zinc/62/34/15/333623415.db2.gz CLLBQIDEVUXWTK-MRXNPFEDSA-N 1 0 320.433 3.970 20 5 DHBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411969823 333717330 /nfs/dbraw/zinc/71/73/30/333717330.db2.gz MFNKIVJVDZLOIJ-MEBBXXQBSA-N 1 0 312.797 3.541 20 5 DHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2ncccc12)C(C)(C)C[NH+](C)C ZINC000413168062 333834727 /nfs/dbraw/zinc/83/47/27/333834727.db2.gz WDFMVCDFFGZDGX-GFCCVEGCSA-N 1 0 316.405 3.531 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000414152808 333903807 /nfs/dbraw/zinc/90/38/07/333903807.db2.gz YHYYAGFISWJTIX-YUELXQCFSA-N 1 0 322.405 3.600 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2F)cc1[N+](=O)[O-] ZINC000414281554 333932979 /nfs/dbraw/zinc/93/29/79/333932979.db2.gz GETQRBBCARILOO-IACUBPJLSA-N 1 0 310.369 3.925 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)C1CC1 ZINC000414294679 333935263 /nfs/dbraw/zinc/93/52/63/333935263.db2.gz WVABFSXISUHIFK-OAGGEKHMSA-N 1 0 306.381 3.786 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CS1 ZINC000414503967 334000390 /nfs/dbraw/zinc/00/03/90/334000390.db2.gz RPTYLJOAQSZBND-VXGBXAGGSA-N 1 0 318.398 3.838 20 5 DHBDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000414521197 334006078 /nfs/dbraw/zinc/00/60/78/334006078.db2.gz DTIUGMWKZDYZDG-QGZVFWFLSA-N 1 0 318.417 3.540 20 5 DHBDRO C/C(=C/c1nc([C@@H]([NH3+])CC(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000414624465 334045642 /nfs/dbraw/zinc/04/56/42/334045642.db2.gz VNRILOMPIUBMRQ-FPAJZGIOSA-N 1 0 316.361 3.584 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc([C@@H](C)[NH3+])cc1 ZINC000414811764 334105203 /nfs/dbraw/zinc/10/52/03/334105203.db2.gz ONCMZWLBGGNGHK-GFCCVEGCSA-N 1 0 315.373 3.625 20 5 DHBDRO CC(C)c1ccc(CNC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000414830918 334110527 /nfs/dbraw/zinc/11/05/27/334110527.db2.gz MNIYYFLOEIYQRT-KRWDZBQOSA-N 1 0 313.401 3.508 20 5 DHBDRO CCOC1CC2(C1)CC[N@@H+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000285482509 334148341 /nfs/dbraw/zinc/14/83/41/334148341.db2.gz LREACOKKSRLDOQ-NXVRBGIVSA-N 1 0 318.417 3.855 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cccc2c1CCCN2 ZINC000415041388 334261049 /nfs/dbraw/zinc/26/10/49/334261049.db2.gz TWYFGHDLYSQKTQ-YWEYNIOJSA-N 1 0 323.396 3.756 20 5 DHBDRO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531993935 334367191 /nfs/dbraw/zinc/36/71/91/334367191.db2.gz QIKZJTRWKPRFSZ-PBHICJAKSA-N 1 0 314.385 3.596 20 5 DHBDRO CCC(CC)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cccs1 ZINC000341599268 334460566 /nfs/dbraw/zinc/46/05/66/334460566.db2.gz UHWBQPPZHRWYFK-AWEZNQCLSA-N 1 0 322.434 3.657 20 5 DHBDRO Cc1c(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000342304633 334526894 /nfs/dbraw/zinc/52/68/94/334526894.db2.gz QGAGBBOMZYBBJQ-INIZCTEOSA-N 1 0 316.405 3.514 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC[C@H](F)C3)cs2)c1 ZINC000342310276 334527550 /nfs/dbraw/zinc/52/75/50/334527550.db2.gz UHHVRUNROAOWLJ-RYUDHWBXSA-N 1 0 321.377 3.699 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)CCCC2 ZINC000417313621 334705201 /nfs/dbraw/zinc/70/52/01/334705201.db2.gz POQLDHWVGOAXKR-QANKJYHBSA-N 1 0 318.417 3.503 20 5 DHBDRO CC(C)OCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319587 334707949 /nfs/dbraw/zinc/70/79/49/334707949.db2.gz HYFUBFZIPNYLEC-QGZVFWFLSA-N 1 0 306.406 3.767 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOC(F)F)CCCC2 ZINC000417334992 334709684 /nfs/dbraw/zinc/70/96/84/334709684.db2.gz RZBPLPGQJBGESV-AWEZNQCLSA-N 1 0 314.332 3.581 20 5 DHBDRO CC[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417401265 334862670 /nfs/dbraw/zinc/86/26/70/334862670.db2.gz LGUXIYFBEIHZJG-QZTJIDSGSA-N 1 0 312.369 3.907 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000189894297 334915819 /nfs/dbraw/zinc/91/58/19/334915819.db2.gz RSJVUKYYUPPIST-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO Cc1ccc2cc(C[NH2+]CCc3ccccc3[N+](=O)[O-])ccc2n1 ZINC000344065349 335214562 /nfs/dbraw/zinc/21/45/62/335214562.db2.gz PAZRLFMJBNBRQQ-UHFFFAOYSA-N 1 0 321.380 3.784 20 5 DHBDRO CCC[C@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000344313737 335240077 /nfs/dbraw/zinc/24/00/77/335240077.db2.gz ZODFBXCWWFYPQN-IRXDYDNUSA-N 1 0 320.433 3.823 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCCCO1 ZINC000344787024 335277456 /nfs/dbraw/zinc/27/74/56/335277456.db2.gz CJFZAVCHEZRIAU-WKOYGUFESA-N 1 0 304.390 3.547 20 5 DHBDRO CO[C@@H](CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000345440023 335330093 /nfs/dbraw/zinc/33/00/93/335330093.db2.gz AEICVYMCUCDYRE-GWCFXTLKSA-N 1 0 320.311 3.521 20 5 DHBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000345696619 335342625 /nfs/dbraw/zinc/34/26/25/335342625.db2.gz VZTMCMWOECJBGY-SJCJKPOMSA-N 1 0 318.348 3.600 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC000468623178 335352349 /nfs/dbraw/zinc/35/23/49/335352349.db2.gz XOVHROPMYIPWLN-RKCSUWQLSA-N 1 0 320.433 3.631 20 5 DHBDRO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000519037160 335788915 /nfs/dbraw/zinc/78/89/15/335788915.db2.gz RYTLPNUJVXNPCK-XJKSGUPXSA-N 1 0 312.369 3.558 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000532188649 335912823 /nfs/dbraw/zinc/91/28/23/335912823.db2.gz WMEMIAQBPIYHFA-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000445901965 338514806 /nfs/dbraw/zinc/51/48/06/338514806.db2.gz ASGIENUZDRJVOB-CYBMUJFWSA-N 1 0 320.311 3.540 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CS1 ZINC000331645785 336143300 /nfs/dbraw/zinc/14/33/00/336143300.db2.gz UMZIWPNQKCRHAV-JRPNMDOOSA-N 1 0 306.431 3.801 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCCC1CCOCC1)CC2 ZINC000332059102 336157002 /nfs/dbraw/zinc/15/70/02/336157002.db2.gz WXMJRWQBIRTHDA-UHFFFAOYSA-N 1 0 318.417 3.550 20 5 DHBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332363967 336169813 /nfs/dbraw/zinc/16/98/13/336169813.db2.gz RCPYYAVOBIJQDW-LRDDRELGSA-N 1 0 320.389 3.520 20 5 DHBDRO CO[C@H](C)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352685076 336230295 /nfs/dbraw/zinc/23/02/95/336230295.db2.gz RJGZHIOCRPYAQT-RDTXWAMCSA-N 1 0 314.385 3.699 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCO[C@H](C)C1 ZINC000352717259 336232048 /nfs/dbraw/zinc/23/20/48/336232048.db2.gz HXCSRZLOFNDIBS-GDBMZVCRSA-N 1 0 306.406 3.620 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000042331646 336239020 /nfs/dbraw/zinc/23/90/20/336239020.db2.gz MJFFWWASWQKKNX-MRXNPFEDSA-N 1 0 302.399 3.940 20 5 DHBDRO C[C@@H]1C[C@@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000532575109 336257009 /nfs/dbraw/zinc/25/70/09/336257009.db2.gz NGIFWAFTOYBCTD-CHWSQXEVSA-N 1 0 315.373 3.523 20 5 DHBDRO CCC(CC)[C@H](CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000532617788 336257782 /nfs/dbraw/zinc/25/77/82/336257782.db2.gz OHZZRILPOUDICB-KRWDZBQOSA-N 1 0 308.422 3.834 20 5 DHBDRO C[C@H]1CCC[N@H+](CCCCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301117789 336290809 /nfs/dbraw/zinc/29/08/09/336290809.db2.gz WEOCOFIYQAOHLY-ZDUSSCGKSA-N 1 0 309.385 3.658 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000301472216 336308908 /nfs/dbraw/zinc/30/89/08/336308908.db2.gz KQRASHHUYMPCJC-UHFFFAOYSA-N 1 0 321.396 3.943 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000301521300 336312173 /nfs/dbraw/zinc/31/21/73/336312173.db2.gz FRSQYVPNRLJMPQ-UHFFFAOYSA-N 1 0 321.396 3.943 20 5 DHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)C(C)(C)C[NH+](C)C ZINC000301661075 336321438 /nfs/dbraw/zinc/32/14/38/336321438.db2.gz XOHNWAGOUJSBIF-GFCCVEGCSA-N 1 0 316.405 3.531 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000301891336 336336611 /nfs/dbraw/zinc/33/66/11/336336611.db2.gz RIRDNPVZMSWQRJ-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO C[NH+](C)[C@@H](CNc1sccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301940193 336339081 /nfs/dbraw/zinc/33/90/81/336339081.db2.gz UHUPKCXLPAJVPQ-ZDUSSCGKSA-N 1 0 309.366 3.510 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000301986410 336341509 /nfs/dbraw/zinc/34/15/09/336341509.db2.gz MHQRJUSWOJJNMQ-HOTGVXAUSA-N 1 0 317.433 3.686 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2C)c1 ZINC000301990379 336341737 /nfs/dbraw/zinc/34/17/37/336341737.db2.gz PBOYVEVBVUAGPH-UHFFFAOYSA-N 1 0 313.401 3.967 20 5 DHBDRO Cc1ccc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000302035169 336344555 /nfs/dbraw/zinc/34/45/55/336344555.db2.gz FFXSQYVNENUEST-CABCVRRESA-N 1 0 317.433 3.968 20 5 DHBDRO Cc1cc(N(C)CCc2ccncc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302147803 336350830 /nfs/dbraw/zinc/35/08/30/336350830.db2.gz HBVMKRUXDFXZBG-UHFFFAOYSA-N 1 0 322.368 3.525 20 5 DHBDRO Cc1cc(N2Cc3ccccc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302199276 336353498 /nfs/dbraw/zinc/35/34/98/336353498.db2.gz UOXNYMWXGGBRLR-UHFFFAOYSA-N 1 0 305.337 3.972 20 5 DHBDRO CC1(C)CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000582233504 336371761 /nfs/dbraw/zinc/37/17/61/336371761.db2.gz KFXVBAQRKWFRBC-CYBMUJFWSA-N 1 0 301.390 3.787 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCCCC2 ZINC000320861172 336374832 /nfs/dbraw/zinc/37/48/32/336374832.db2.gz GJMAKMAEZFLMKU-DLBZAZTESA-N 1 0 318.417 3.812 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000034995179 336390078 /nfs/dbraw/zinc/39/00/78/336390078.db2.gz GYNUEGWNAGNDAD-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO Cc1c(C[NH2+]Cc2cnc(C(C)C)s2)cccc1[N+](=O)[O-] ZINC000359821987 336688780 /nfs/dbraw/zinc/68/87/80/336688780.db2.gz YJIVJPQRZMLRSU-UHFFFAOYSA-N 1 0 305.403 3.773 20 5 DHBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367534490 336824526 /nfs/dbraw/zinc/82/45/26/336824526.db2.gz WEDNSXAIMVEJQG-MZADTFQBSA-N 1 0 303.405 3.975 20 5 DHBDRO Cc1ccc(C[NH+]2CCC([C@@H]3CCCOC3)CC2)cc1[N+](=O)[O-] ZINC000367876397 336831435 /nfs/dbraw/zinc/83/14/35/336831435.db2.gz DIAHDUDNPMZNLU-QGZVFWFLSA-N 1 0 318.417 3.542 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000377239251 337049183 /nfs/dbraw/zinc/04/91/83/337049183.db2.gz MGISCYHPZNYCJZ-CVEARBPZSA-N 1 0 318.417 3.577 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000377239255 337049199 /nfs/dbraw/zinc/04/91/99/337049199.db2.gz MGISCYHPZNYCJZ-HZPDHXFCSA-N 1 0 318.417 3.577 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cs1 ZINC000377397651 337051900 /nfs/dbraw/zinc/05/19/00/337051900.db2.gz KKIJMNHZIWEHGS-HUUCEWRRSA-N 1 0 318.398 3.666 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)c1 ZINC000377405454 337052145 /nfs/dbraw/zinc/05/21/45/337052145.db2.gz UBXUKJOKPKYHNU-QZTJIDSGSA-N 1 0 312.369 3.605 20 5 DHBDRO CSC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000193809913 337080182 /nfs/dbraw/zinc/08/01/82/337080182.db2.gz UBNGEQKEMPFEKB-OAHLLOKOSA-N 1 0 320.458 3.791 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000174353520 337141073 /nfs/dbraw/zinc/14/10/73/337141073.db2.gz RWMRJIVZRWSEPX-KGLIPLIRSA-N 1 0 324.446 3.709 20 5 DHBDRO COc1ccc(C[NH2+]Cc2cc(Cl)cs2)cc1[N+](=O)[O-] ZINC000486970738 337147337 /nfs/dbraw/zinc/14/73/37/337147337.db2.gz RUWZIKQZUGNREP-UHFFFAOYSA-N 1 0 312.778 3.608 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000182674163 337189278 /nfs/dbraw/zinc/18/92/78/337189278.db2.gz QSVNWUIPYKGSOI-KBPBESRZSA-N 1 0 314.389 3.567 20 5 DHBDRO C[C@H](c1ccc(F)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000583053442 337230203 /nfs/dbraw/zinc/23/02/03/337230203.db2.gz CPLYXFXNOSNFJK-GFCCVEGCSA-N 1 0 316.332 3.690 20 5 DHBDRO C[C@@H]1C[C@@H](c2cccnc2)N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000185716523 337250767 /nfs/dbraw/zinc/25/07/67/337250767.db2.gz RLASTHYLZBVYSY-RISCZKNCSA-N 1 0 303.387 3.634 20 5 DHBDRO C[C@@H]1CCSCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191816877 337300446 /nfs/dbraw/zinc/30/04/46/337300446.db2.gz NKWYBIUJBJLNLQ-SNVBAGLBSA-N 1 0 300.811 3.576 20 5 DHBDRO CCC(O)(CC)C(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000583763762 337331504 /nfs/dbraw/zinc/33/15/04/337331504.db2.gz JKNURBSRPXICOV-CYBMUJFWSA-N 1 0 308.422 3.823 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCCOC2CCCC2)cccc1[N+](=O)[O-] ZINC000125278082 337398385 /nfs/dbraw/zinc/39/83/85/337398385.db2.gz MCDWMIKPRIVHQI-CQSZACIVSA-N 1 0 306.406 3.903 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1ccc([N+](=O)[O-])cc1 ZINC000421198028 337524624 /nfs/dbraw/zinc/52/46/24/337524624.db2.gz IIVMZFWBRRJVLO-TZMCWYRMSA-N 1 0 306.431 3.779 20 5 DHBDRO Cc1cncc([C@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000572440107 337645680 /nfs/dbraw/zinc/64/56/80/337645680.db2.gz QCYTUGFSRFSZLZ-ZDUSSCGKSA-N 1 0 324.384 3.673 20 5 DHBDRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000421855161 337650341 /nfs/dbraw/zinc/65/03/41/337650341.db2.gz LQITZIUQMLEABY-FRFSOERESA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000536861327 337746721 /nfs/dbraw/zinc/74/67/21/337746721.db2.gz BZBRQZWMUCZGII-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO CC1(C)C[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC000119684441 337864339 /nfs/dbraw/zinc/86/43/39/337864339.db2.gz LBDLWFXRZZDKKF-ZDUSSCGKSA-N 1 0 312.797 3.684 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000537305116 337929938 /nfs/dbraw/zinc/92/99/38/337929938.db2.gz CIUXWEOLPZLOHO-KBRIMQKVSA-N 1 0 318.417 3.983 20 5 DHBDRO C[C@H](c1ccco1)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000086233156 338013710 /nfs/dbraw/zinc/01/37/10/338013710.db2.gz SEQQIQNXOPASKU-CYBMUJFWSA-N 1 0 316.357 3.792 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426456832 338032532 /nfs/dbraw/zinc/03/25/32/338032532.db2.gz FISJWOTWGLFNIG-BBRMVZONSA-N 1 0 304.390 3.756 20 5 DHBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000429287642 338076488 /nfs/dbraw/zinc/07/64/88/338076488.db2.gz NKSWSHYXCIRMEE-LLVKDONJSA-N 1 0 314.838 3.823 20 5 DHBDRO CC(C)c1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000432813181 338168717 /nfs/dbraw/zinc/16/87/17/338168717.db2.gz LTFFKFCHFKWQJE-MRXNPFEDSA-N 1 0 319.449 3.634 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000433235963 338187201 /nfs/dbraw/zinc/18/72/01/338187201.db2.gz PCURGGFSYMIFNN-GDZNZVCISA-N 1 0 318.417 3.722 20 5 DHBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCCS2)c2cc([N+](=O)[O-])ccc21 ZINC000433308470 338191049 /nfs/dbraw/zinc/19/10/49/338191049.db2.gz YEVRWFANUQKDQC-DOMZBBRYSA-N 1 0 306.431 3.802 20 5 DHBDRO CSc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000435744955 338247599 /nfs/dbraw/zinc/24/75/99/338247599.db2.gz ICZZDZJUHSZDTC-UHFFFAOYSA-N 1 0 302.399 3.649 20 5 DHBDRO CSc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000435747806 338247876 /nfs/dbraw/zinc/24/78/76/338247876.db2.gz KXHNLZIMFCSNMH-UHFFFAOYSA-N 1 0 316.426 3.957 20 5 DHBDRO Cc1c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000437531569 338312765 /nfs/dbraw/zinc/31/27/65/338312765.db2.gz AORXFTOLMLNDDK-CVEARBPZSA-N 1 0 306.431 3.763 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000437791230 338321626 /nfs/dbraw/zinc/32/16/26/338321626.db2.gz ZCZDHDPJXMHPSP-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]3Cc3ccccc3)nc2c1 ZINC000437827962 338322778 /nfs/dbraw/zinc/32/27/78/338322778.db2.gz IEEMTUPYSBLTIS-AWEZNQCLSA-N 1 0 323.352 3.553 20 5 DHBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1(c2ccccc2)CC1 ZINC000438260063 338338016 /nfs/dbraw/zinc/33/80/16/338338016.db2.gz OERADNGNDTUOCW-UHFFFAOYSA-N 1 0 314.360 3.898 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441201006 338405174 /nfs/dbraw/zinc/40/51/74/338405174.db2.gz DBBHWRQYTYBREU-HYXAFXHYSA-N 1 0 321.380 3.922 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000194415999 338526273 /nfs/dbraw/zinc/52/62/73/338526273.db2.gz IRSMXTLUSBVCDB-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2ccccc2C1 ZINC000449064919 338589659 /nfs/dbraw/zinc/58/96/59/338589659.db2.gz WZPVPWZRQSMUPS-KSSFIOAISA-N 1 0 310.397 3.673 20 5 DHBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449092768 338592770 /nfs/dbraw/zinc/59/27/70/338592770.db2.gz UFVQUBUPSHBTFI-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000449131058 338595836 /nfs/dbraw/zinc/59/58/36/338595836.db2.gz JVPMVXQXDHQCPR-QWHCGFSZSA-N 1 0 300.358 3.582 20 5 DHBDRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449236972 338605158 /nfs/dbraw/zinc/60/51/58/338605158.db2.gz MIGOKFNXEDHFPN-NEPJUHHUSA-N 1 0 319.430 3.684 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2OCC)cc1[N+](=O)[O-] ZINC000453406226 338839522 /nfs/dbraw/zinc/83/95/22/338839522.db2.gz PGBWYVMJIINWKG-JGGQBBKZSA-N 1 0 322.405 3.602 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CCCc1cccnc1 ZINC000459645007 339040010 /nfs/dbraw/zinc/04/00/10/339040010.db2.gz FZTZVSAZNAVMDL-OAHLLOKOSA-N 1 0 313.401 3.799 20 5 DHBDRO Cc1cc(NCc2ccc([N+](=O)[O-])cc2F)ccc1C[NH+](C)C ZINC000459739917 339045532 /nfs/dbraw/zinc/04/55/32/339045532.db2.gz AZVJIBJBOUMCNJ-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459754243 339046385 /nfs/dbraw/zinc/04/63/85/339046385.db2.gz JGNSVSJYSVXIJI-VBNZEHGJSA-N 1 0 304.390 3.511 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2c(F)cccc2F)cc1 ZINC000462766926 339087651 /nfs/dbraw/zinc/08/76/51/339087651.db2.gz RITPEVAXIOALJO-UHFFFAOYSA-N 1 0 320.339 3.986 20 5 DHBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(C)(C)C ZINC000463364919 339115894 /nfs/dbraw/zinc/11/58/94/339115894.db2.gz BVKJKVDXHHQHOJ-UHFFFAOYSA-N 1 0 321.421 3.600 20 5 DHBDRO CC(C)O[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1(C)C ZINC000464075899 339133347 /nfs/dbraw/zinc/13/33/47/339133347.db2.gz QPZSSGZTECDWSL-OLMWUWOUSA-N 1 0 318.417 3.790 20 5 DHBDRO Cc1c(C[N@H+](C)CCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000464853929 339158071 /nfs/dbraw/zinc/15/80/71/339158071.db2.gz VJYFWRVLZJIAJD-UHFFFAOYSA-N 1 0 314.385 3.552 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000466472916 339206524 /nfs/dbraw/zinc/20/65/24/339206524.db2.gz IRAHKCHMAWPKCA-CVEARBPZSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000467834144 339247093 /nfs/dbraw/zinc/24/70/93/339247093.db2.gz PGCJUHZDJJUHQC-KDOFPFPSSA-N 1 0 319.449 3.756 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000467837138 339247193 /nfs/dbraw/zinc/24/71/93/339247193.db2.gz XSEMVSWXYJNGDD-QWHCGFSZSA-N 1 0 318.348 3.852 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000467850345 339247624 /nfs/dbraw/zinc/24/76/24/339247624.db2.gz KFIXYRVKYDCDPQ-OLZOCXBDSA-N 1 0 318.348 3.852 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000467862619 339247977 /nfs/dbraw/zinc/24/79/77/339247977.db2.gz IMYGWUYODDCMDA-OLZOCXBDSA-N 1 0 318.348 3.852 20 5 DHBDRO COCCC1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000467997246 339250759 /nfs/dbraw/zinc/25/07/59/339250759.db2.gz ZDHFAQAQYYCSFU-UHFFFAOYSA-N 1 0 320.433 3.714 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000468586894 339266781 /nfs/dbraw/zinc/26/67/81/339266781.db2.gz NWFXJOSLPYMUMM-BMQCOBNYSA-N 1 0 304.390 3.545 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@@H]1CCCCO1 ZINC000468616734 339267196 /nfs/dbraw/zinc/26/71/96/339267196.db2.gz BPTYABHGZHPFJA-XOVFHRFOSA-N 1 0 318.417 3.937 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccncc1C ZINC000468621903 339267236 /nfs/dbraw/zinc/26/72/36/339267236.db2.gz RXPNYPGLGJYKDK-UVTDQMKNSA-N 1 0 311.385 3.534 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000468622275 339267285 /nfs/dbraw/zinc/26/72/85/339267285.db2.gz TYVMFDIFEBJDKM-WPZHGYICSA-N 1 0 318.417 3.791 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C1CCCCC1 ZINC000468627841 339267424 /nfs/dbraw/zinc/26/74/24/339267424.db2.gz OTDPMNBHQVPPGZ-MDNBWPLSSA-N 1 0 318.417 3.529 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC1CCCCC1 ZINC000468634417 339267551 /nfs/dbraw/zinc/26/75/51/339267551.db2.gz DHCXTXPGLPKHLW-NTCAYCPXSA-N 1 0 318.417 3.937 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(O)c(F)c1 ZINC000468651322 339268150 /nfs/dbraw/zinc/26/81/50/339268150.db2.gz YEDMZOITDXTRKM-KPKJPENVSA-N 1 0 316.332 3.633 20 5 DHBDRO CO[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000468735356 339269522 /nfs/dbraw/zinc/26/95/22/339269522.db2.gz SPXYFUNTNJTPIF-WQMJKPAKSA-N 1 0 306.406 3.649 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000470175280 339312791 /nfs/dbraw/zinc/31/27/91/339312791.db2.gz BSHZQMVYFTVPCJ-RVDMUPIBSA-N 1 0 316.401 3.501 20 5 DHBDRO COC[C@@H]1CCCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470209061 339314307 /nfs/dbraw/zinc/31/43/07/339314307.db2.gz XDWUXCRIXQEFPE-IUYQLWOBSA-N 1 0 318.417 3.747 20 5 DHBDRO CCC(CC)[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000470865663 339329419 /nfs/dbraw/zinc/32/94/19/339329419.db2.gz HITJEAIDZNKPBB-INIZCTEOSA-N 1 0 320.437 3.611 20 5 DHBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000472253914 339367742 /nfs/dbraw/zinc/36/77/42/339367742.db2.gz CSKKHBUJUXRKCM-OAHLLOKOSA-N 1 0 316.405 3.655 20 5 DHBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000478845583 339523608 /nfs/dbraw/zinc/52/36/08/339523608.db2.gz OGUKNMZUFQBGFE-ZYHUDNBSSA-N 1 0 314.332 3.865 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000479509998 339538598 /nfs/dbraw/zinc/53/85/98/339538598.db2.gz HQUCZGLLOFAECS-DZGCQCFKSA-N 1 0 308.422 3.741 20 5 DHBDRO COCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000480489698 339574696 /nfs/dbraw/zinc/57/46/96/339574696.db2.gz WVKTYINDFRUVSF-UHFFFAOYSA-N 1 0 320.433 3.980 20 5 DHBDRO Cc1c([C@H](C)NC[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000480904021 339590253 /nfs/dbraw/zinc/59/02/53/339590253.db2.gz HOWLAOYWOHSYMV-ZBFHGGJFSA-N 1 0 319.449 3.676 20 5 DHBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000485850251 339714405 /nfs/dbraw/zinc/71/44/05/339714405.db2.gz WCXKBLOCMJIJAT-UHFFFAOYSA-N 1 0 309.410 3.526 20 5 DHBDRO Cc1c(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000486694279 339731472 /nfs/dbraw/zinc/73/14/72/339731472.db2.gz CMFMTVDXAYTKLP-UHFFFAOYSA-N 1 0 313.332 3.813 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000492728458 339907643 /nfs/dbraw/zinc/90/76/43/339907643.db2.gz OEQCYFBTUOCETR-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CC(C)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000498765852 340022934 /nfs/dbraw/zinc/02/29/34/340022934.db2.gz IZBHBAWGIWVMIB-KRWDZBQOSA-N 1 0 317.364 3.658 20 5 DHBDRO CC[C@H]1C[C@@H](C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000503553051 340130283 /nfs/dbraw/zinc/13/02/83/340130283.db2.gz WSPYQWDQUWTCNU-BBRMVZONSA-N 1 0 306.406 3.625 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000503953355 340138501 /nfs/dbraw/zinc/13/85/01/340138501.db2.gz ODSQEYAYLRSRMI-CYBMUJFWSA-N 1 0 309.369 3.969 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CSC ZINC000504905498 340155595 /nfs/dbraw/zinc/15/55/95/340155595.db2.gz JMAWOBLHGGCNHE-NEPJUHHUSA-N 1 0 314.476 3.807 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCO1 ZINC000504905925 340155616 /nfs/dbraw/zinc/15/56/16/340155616.db2.gz PSDLHCJKRZOXGV-ZIAGYGMSSA-N 1 0 324.446 3.624 20 5 DHBDRO CC(C)[NH+](CCN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000505869325 340180235 /nfs/dbraw/zinc/18/02/35/340180235.db2.gz LMMHEIZCCZJUMO-HNNXBMFYSA-N 1 0 307.438 3.706 20 5 DHBDRO CCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507009664 340205366 /nfs/dbraw/zinc/20/53/66/340205366.db2.gz XPTZHHWPQQEMPY-SNVBAGLBSA-N 1 0 302.321 3.817 20 5 DHBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507151186 340209653 /nfs/dbraw/zinc/20/96/53/340209653.db2.gz BGYXJWWTWOIVDK-ZDUSSCGKSA-N 1 0 314.332 3.817 20 5 DHBDRO CC[C@@H]1C[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000507791522 340231557 /nfs/dbraw/zinc/23/15/57/340231557.db2.gz CQCORGJYFZINBD-MAUKXSAKSA-N 1 0 318.417 3.764 20 5 DHBDRO CCC(CC)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOC ZINC000508520061 340245614 /nfs/dbraw/zinc/24/56/14/340245614.db2.gz XRCOJIDWJYFFHP-CSKARUKUSA-N 1 0 306.406 3.745 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000509515913 340271984 /nfs/dbraw/zinc/27/19/84/340271984.db2.gz LZLFLIIHQUBPQH-HIFRSBDPSA-N 1 0 312.369 3.639 20 5 DHBDRO CCc1cnc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000173452437 340365364 /nfs/dbraw/zinc/36/53/64/340365364.db2.gz ODGZMMCYYJMNKV-LLVKDONJSA-N 1 0 305.403 3.507 20 5 DHBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512868752 340381668 /nfs/dbraw/zinc/38/16/68/340381668.db2.gz HXGOHNIDXPCUNS-SMDDNHRTSA-N 1 0 318.398 3.696 20 5 DHBDRO Cc1cc2cc(C[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000513111466 340393742 /nfs/dbraw/zinc/39/37/42/340393742.db2.gz FYZGJTOJDUILEJ-UHFFFAOYSA-N 1 0 309.369 3.983 20 5 DHBDRO Cc1ccc(C[NH2+]CCOc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000513587973 340414276 /nfs/dbraw/zinc/41/42/76/340414276.db2.gz FCJLKBDHNSMDHE-UHFFFAOYSA-N 1 0 314.385 3.689 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000516631721 340425394 /nfs/dbraw/zinc/42/53/94/340425394.db2.gz XLKYPWDIZWMCRI-IGCXYCKISA-N 1 0 306.406 3.757 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CCO)C1CCCCC1 ZINC000517040206 340462366 /nfs/dbraw/zinc/46/23/66/340462366.db2.gz QEEOXNCEJZUCJI-DLBZAZTESA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccccc1OC(F)F ZINC000190883612 340547772 /nfs/dbraw/zinc/54/77/72/340547772.db2.gz SBMFMMIMZXALFN-UHFFFAOYSA-N 1 0 322.311 3.529 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000317014958 340699656 /nfs/dbraw/zinc/69/96/56/340699656.db2.gz QNIUEBKVIOUZGO-INIZCTEOSA-N 1 0 316.788 3.548 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)SC ZINC000537952390 340792948 /nfs/dbraw/zinc/79/29/48/340792948.db2.gz CRVZSUNBLSRVTP-RYUDHWBXSA-N 1 0 314.476 3.807 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Cl)ccc2F)cc1 ZINC000125319895 340803486 /nfs/dbraw/zinc/80/34/86/340803486.db2.gz KPIFQCDQENULIQ-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000539086803 340872122 /nfs/dbraw/zinc/87/21/22/340872122.db2.gz MPFOKNOSBLABON-ZDUSSCGKSA-N 1 0 317.364 3.802 20 5 DHBDRO CCC(CC)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000539279631 340879190 /nfs/dbraw/zinc/87/91/90/340879190.db2.gz QHTFXVRVCOUHQV-HNNXBMFYSA-N 1 0 322.434 3.620 20 5 DHBDRO CCOc1cccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000539279653 340879229 /nfs/dbraw/zinc/87/92/29/340879229.db2.gz RJJMFTYSHACNKL-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000542687911 341017238 /nfs/dbraw/zinc/01/72/38/341017238.db2.gz GBHODYDJDBNPPA-ZDUSSCGKSA-N 1 0 302.374 3.916 20 5 DHBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCSC1 ZINC000130575071 341028744 /nfs/dbraw/zinc/02/87/44/341028744.db2.gz PPSRCNPFMZIHIX-CQSZACIVSA-N 1 0 318.398 3.792 20 5 DHBDRO COC1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000543623552 341051623 /nfs/dbraw/zinc/05/16/23/341051623.db2.gz HOAPGSCKVYYJMS-UHFFFAOYSA-N 1 0 306.406 3.588 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000543628873 341052007 /nfs/dbraw/zinc/05/20/07/341052007.db2.gz YBBFWSQHMGUBLI-ZENOOKHLSA-N 1 0 315.373 3.645 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000544440538 341082288 /nfs/dbraw/zinc/08/22/88/341082288.db2.gz SNSRTRIXSNYNIN-XKQJLSEDSA-N 1 0 320.433 3.693 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000544611785 341089046 /nfs/dbraw/zinc/08/90/46/341089046.db2.gz XLHMNIJABBGEHB-UHFFFAOYSA-N 1 0 313.401 3.601 20 5 DHBDRO CC[C@H](CC(F)(F)F)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000544939217 341100378 /nfs/dbraw/zinc/10/03/78/341100378.db2.gz AEMOAWNLQHOBNV-SMYYYNMVSA-N 1 0 302.296 3.929 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000545235218 341116390 /nfs/dbraw/zinc/11/63/90/341116390.db2.gz KRGQBFJBNAPYTI-KKXDTOCCSA-N 1 0 318.417 3.759 20 5 DHBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000075896733 341188456 /nfs/dbraw/zinc/18/84/56/341188456.db2.gz XNNWENGZPZBZKI-LBPRGKRZSA-N 1 0 320.414 3.728 20 5 DHBDRO CCC(CC)(CC)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000081156484 341280355 /nfs/dbraw/zinc/28/03/55/341280355.db2.gz XYGOHFTUDNLGHV-UHFFFAOYSA-N 1 0 321.421 3.790 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000549187935 341288346 /nfs/dbraw/zinc/28/83/46/341288346.db2.gz DQRDPCHQAJFXEZ-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO Cc1ccc([C@H]2CC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000549932458 341307204 /nfs/dbraw/zinc/30/72/04/341307204.db2.gz SJYYBCZVKIGBJL-HNNXBMFYSA-N 1 0 312.369 3.598 20 5 DHBDRO C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000248407889 341376717 /nfs/dbraw/zinc/37/67/17/341376717.db2.gz DQPPMXZAUPIVGS-LSDHHAIUSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000269981552 341614500 /nfs/dbraw/zinc/61/45/00/341614500.db2.gz RBXQBSIVHFHBKC-JFOHDYCDSA-N 1 0 316.401 3.593 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCC12CCOCC2 ZINC000567752327 341631618 /nfs/dbraw/zinc/63/16/18/341631618.db2.gz GMNFWYYDLZMUIP-NVXWUHKLSA-N 1 0 316.401 3.521 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccsc1)CCC2 ZINC000192634321 341878446 /nfs/dbraw/zinc/87/84/46/341878446.db2.gz UCMHNMIJKVLIEL-MRXNPFEDSA-N 1 0 302.399 3.866 20 5 DHBDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178693700 341962132 /nfs/dbraw/zinc/96/21/32/341962132.db2.gz WQGOKXQCBHQPEU-YSVLISHTSA-N 1 0 306.406 3.697 20 5 DHBDRO CSc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000357837953 518175439 /nfs/dbraw/zinc/17/54/39/518175439.db2.gz DQPHFRLGHQLXJH-NSHDSACASA-N 1 0 303.387 3.563 20 5 DHBDRO CC(C)OC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000337269261 519773094 /nfs/dbraw/zinc/77/30/94/519773094.db2.gz YPPCCRNWYUUEOP-JTQLQIEISA-N 1 0 320.311 3.517 20 5 DHBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267054481 520286239 /nfs/dbraw/zinc/28/62/39/520286239.db2.gz RKWVWWLAEPZIKB-HNNXBMFYSA-N 1 0 310.369 3.515 20 5 DHBDRO CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000131135012 520769546 /nfs/dbraw/zinc/76/95/46/520769546.db2.gz PPZXOIUOCSKMFD-UHFFFAOYSA-N 1 0 316.357 3.514 20 5 DHBDRO CCC[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000188038148 520793227 /nfs/dbraw/zinc/79/32/27/520793227.db2.gz GPKFPLIIZILPFT-XYPHTWIQSA-N 1 0 306.406 3.577 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000119294968 521262577 /nfs/dbraw/zinc/26/25/77/521262577.db2.gz AADZCOIPIGFIOB-JSGCOSHPSA-N 1 0 322.405 3.602 20 5 DHBDRO CCOC1CC(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000189251244 521644437 /nfs/dbraw/zinc/64/44/37/521644437.db2.gz TYEGNFTZOSYQIU-UQPPLGOBSA-N 1 0 320.433 3.711 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])ccc1C ZINC000266460873 522485452 /nfs/dbraw/zinc/48/54/52/522485452.db2.gz LYIUUPLRMXKYCD-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO COC1CCC([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000266910890 522684715 /nfs/dbraw/zinc/68/47/15/522684715.db2.gz CZISSVQZZPXNPH-UHFFFAOYSA-N 1 0 312.797 3.638 20 5 DHBDRO COCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000124418323 522994191 /nfs/dbraw/zinc/99/41/91/522994191.db2.gz HWUWXGNBMZNBAV-CQSZACIVSA-N 1 0 314.385 3.900 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000193285246 524502360 /nfs/dbraw/zinc/50/23/60/524502360.db2.gz HWHPGCPJMACFKL-ABAIWWIYSA-N 1 0 317.414 3.822 20 5 DHBDRO C[C@H](F)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000339495743 524808997 /nfs/dbraw/zinc/80/89/97/524808997.db2.gz NOTRRDAARJJUJX-JTQLQIEISA-N 1 0 309.366 3.556 20 5 DHBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000339446581 525268175 /nfs/dbraw/zinc/26/81/75/525268175.db2.gz CLSYTJKACMMQBT-GOEBONIOSA-N 1 0 302.399 3.940 20 5 DHBDRO Cc1ccc(NC[C@@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000338292592 525280709 /nfs/dbraw/zinc/28/07/09/525280709.db2.gz CWSNUBRTEAXZFM-HNNXBMFYSA-N 1 0 305.403 3.680 20 5 DHBDRO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268905361 525431670 /nfs/dbraw/zinc/43/16/70/525431670.db2.gz LRXWVSSTXAUUGM-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000266748320 525477578 /nfs/dbraw/zinc/47/75/78/525477578.db2.gz BURMJPRUOJQRIL-BDJLRTHQSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc(F)cc1 ZINC000266807664 525615223 /nfs/dbraw/zinc/61/52/23/525615223.db2.gz UKLQFBUDRZKHST-JKDFXYPNSA-N 1 0 318.348 3.507 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000124510436 525657684 /nfs/dbraw/zinc/65/76/84/525657684.db2.gz NIWVUKZRDNCMDE-QFSBIZTOSA-N 1 0 318.348 3.507 20 5 DHBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000130673640 525781938 /nfs/dbraw/zinc/78/19/38/525781938.db2.gz LMXFWERZTFVSMV-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3c2cccc3O)cccc1[N+](=O)[O-] ZINC000130439066 525922489 /nfs/dbraw/zinc/92/24/89/525922489.db2.gz VWJRJYPSRIMLME-BLLLJJGKSA-N 1 0 312.369 3.947 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC000181823601 525930440 /nfs/dbraw/zinc/93/04/40/525930440.db2.gz SPCWOFOBGAHXRB-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO Cc1cnc(CC[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000157834510 525995603 /nfs/dbraw/zinc/99/56/03/525995603.db2.gz OQMMNTOCQGWOCH-LBPRGKRZSA-N 1 0 305.403 3.595 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)CC1CCCC1)CCC2 ZINC000338026757 527379788 /nfs/dbraw/zinc/37/97/88/527379788.db2.gz KNLANBVPQVVRJA-YJBOKZPZSA-N 1 0 318.417 3.503 20 5 DHBDRO CCOC1CC2(C1)CC[N@@H+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)C2 ZINC000285482507 535399223 /nfs/dbraw/zinc/39/92/23/535399223.db2.gz LREACOKKSRLDOQ-MXWWQKGMSA-N 1 0 318.417 3.855 20 5 DHBDRO CC[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000273184780 535906191 /nfs/dbraw/zinc/90/61/91/535906191.db2.gz FRJYTJOFJMDXSV-KEYYUXOJSA-N 1 0 306.406 3.841 20 5 DHBDRO COCC1(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000293646085 536817956 /nfs/dbraw/zinc/81/79/56/536817956.db2.gz HNRPJCFPENPMTJ-HNNXBMFYSA-N 1 0 320.433 3.712 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155127779 1013232296 /nfs/dbraw/zinc/23/22/96/1013232296.db2.gz AKRBPZGNDNHGJI-MNOVXSKESA-N 1 0 303.362 3.654 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000236658864 1013425500 /nfs/dbraw/zinc/42/55/00/1013425500.db2.gz OWFCRDWDXJRSIU-OAHLLOKOSA-N 1 0 319.449 3.682 20 5 DHBDRO C[N@H+](CCc1cccc(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC001204472316 1013427202 /nfs/dbraw/zinc/42/72/02/1013427202.db2.gz TZUHQQZKZSUYTM-UHFFFAOYSA-N 1 0 304.777 3.923 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000356721353 1013473296 /nfs/dbraw/zinc/47/32/96/1013473296.db2.gz GSODYQFQDHXMTK-RRQGHBQHSA-N 1 0 306.406 3.983 20 5 DHBDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000610271603 1013557084 /nfs/dbraw/zinc/55/70/84/1013557084.db2.gz AMKXFUZSWKHXDQ-CYBMUJFWSA-N 1 0 302.374 3.916 20 5 DHBDRO CC(C)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083213491 1014001508 /nfs/dbraw/zinc/00/15/08/1014001508.db2.gz CBKSZBXDKIHHJM-UHFFFAOYSA-N 1 0 303.362 3.604 20 5 DHBDRO O=[N+]([O-])c1c(F)cccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000049980465 1014044971 /nfs/dbraw/zinc/04/49/71/1014044971.db2.gz YKXDCOZXRKOKII-CQSZACIVSA-N 1 0 319.336 3.576 20 5 DHBDRO CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)C ZINC000877983839 1033542762 /nfs/dbraw/zinc/54/27/62/1033542762.db2.gz UVTKYBWBWHLTQJ-UHFFFAOYSA-N 1 0 324.768 3.529 20 5 DHBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000441464284 1014168345 /nfs/dbraw/zinc/16/83/45/1014168345.db2.gz AIVCFAACSYKGRX-KEYYUXOJSA-N 1 0 304.390 3.627 20 5 DHBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000441487044 1014247171 /nfs/dbraw/zinc/24/71/71/1014247171.db2.gz OFCCKKHOHMFSIF-ILXRZTDVSA-N 1 0 304.390 3.627 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361763981 1032090839 /nfs/dbraw/zinc/09/08/39/1032090839.db2.gz KBUFCZBUHXRHBA-TWMKSMIVSA-N 1 0 318.417 3.839 20 5 DHBDRO COc1ccccc1CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000520606425 1014371405 /nfs/dbraw/zinc/37/14/05/1014371405.db2.gz DPMUACVSTWEVEO-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO CCC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000320030445 1014373875 /nfs/dbraw/zinc/37/38/75/1014373875.db2.gz JNRYDSWFPIODPT-RCCFBDPRSA-N 1 0 317.433 3.652 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000588395322 1014466777 /nfs/dbraw/zinc/46/67/77/1014466777.db2.gz NPMWMQFQWFDYAW-SOIVGHGOSA-N 1 0 304.390 3.544 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CO1 ZINC000581131002 1014578941 /nfs/dbraw/zinc/57/89/41/1014578941.db2.gz COUAZKBKSICJPX-RYUDHWBXSA-N 1 0 318.398 3.590 20 5 DHBDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126510730 1014740864 /nfs/dbraw/zinc/74/08/64/1014740864.db2.gz MTEARURSQYNRER-JTQLQIEISA-N 1 0 302.827 3.822 20 5 DHBDRO Cc1c(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cccc1[N+](=O)[O-] ZINC000442848279 1014744904 /nfs/dbraw/zinc/74/49/04/1014744904.db2.gz AIGOAMGBHIQXRP-CQSZACIVSA-N 1 0 321.380 3.642 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(CCO)CCCCC1 ZINC000581380547 1014752238 /nfs/dbraw/zinc/75/22/38/1014752238.db2.gz XUWIWUHBSNVWNK-MRXNPFEDSA-N 1 0 318.417 3.505 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000442855950 1014758342 /nfs/dbraw/zinc/75/83/42/1014758342.db2.gz CLLPVAAYTXRATD-LLVKDONJSA-N 1 0 320.776 3.847 20 5 DHBDRO CC[C@H]([NH2+]CCOc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000358092670 1014878563 /nfs/dbraw/zinc/87/85/63/1014878563.db2.gz WUJXDYUTTZEXAC-INIZCTEOSA-N 1 0 318.348 3.854 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000474080538 1014960567 /nfs/dbraw/zinc/96/05/67/1014960567.db2.gz KYAXKILQKAMSJD-GFCCVEGCSA-N 1 0 312.360 3.941 20 5 DHBDRO CCOC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000581563042 1014998282 /nfs/dbraw/zinc/99/82/82/1014998282.db2.gz RGXNBEXAKCVPFD-CQSZACIVSA-N 1 0 306.406 3.903 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000895306096 1015039063 /nfs/dbraw/zinc/03/90/63/1015039063.db2.gz FVLXTQPJQUEKDE-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO O=[N+]([O-])c1sccc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000610514233 1015052670 /nfs/dbraw/zinc/05/26/70/1015052670.db2.gz ZRZQIMUQWSRMTR-GFCCVEGCSA-N 1 0 323.443 3.967 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2[nH]nc3ccccc32)cc1[N+](=O)[O-] ZINC000610517925 1015094575 /nfs/dbraw/zinc/09/45/75/1015094575.db2.gz QALLOMGZLUTQBC-GFCCVEGCSA-N 1 0 310.357 3.630 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2[nH]nc3ccccc32)cc1[N+](=O)[O-] ZINC000610517926 1015095323 /nfs/dbraw/zinc/09/53/23/1015095323.db2.gz QALLOMGZLUTQBC-LBPRGKRZSA-N 1 0 310.357 3.630 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895583629 1015211438 /nfs/dbraw/zinc/21/14/38/1015211438.db2.gz MISGIMWXPGNWIP-PKXJPQMGSA-N 1 0 315.398 3.554 20 5 DHBDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000051180456 1015254373 /nfs/dbraw/zinc/25/43/73/1015254373.db2.gz ADHFVIUBSPRYIG-INIZCTEOSA-N 1 0 312.369 3.941 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1N(C)C ZINC000090909834 1015302038 /nfs/dbraw/zinc/30/20/38/1015302038.db2.gz SUZRBMDVVOHKQG-AWEZNQCLSA-N 1 0 313.401 3.554 20 5 DHBDRO CCCc1ncc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000449614048 1015466403 /nfs/dbraw/zinc/46/64/03/1015466403.db2.gz UKHMFNNRWCGARE-CYBMUJFWSA-N 1 0 317.389 3.646 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1ccncc1 ZINC000610831243 1015879759 /nfs/dbraw/zinc/87/97/59/1015879759.db2.gz ZGRQKXYHOOGPJG-CABCVRRESA-N 1 0 313.401 3.704 20 5 DHBDRO CC(C)(NCc1cnc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000846919714 1032136685 /nfs/dbraw/zinc/13/66/85/1032136685.db2.gz RHLBIILJKXDGAE-UHFFFAOYSA-N 1 0 323.755 3.807 20 5 DHBDRO CC(C)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167499118 1016072521 /nfs/dbraw/zinc/07/25/21/1016072521.db2.gz BZLXSBXFYBSDMS-UHFFFAOYSA-N 1 0 306.406 3.874 20 5 DHBDRO CC[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361886901 1032142572 /nfs/dbraw/zinc/14/25/72/1032142572.db2.gz NNCLIGYSSIEERJ-IAGOWNOFSA-N 1 0 308.422 3.823 20 5 DHBDRO CS[C@H]1CCCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000539900455 1016415917 /nfs/dbraw/zinc/41/59/17/1016415917.db2.gz SUOTXMLDHFUHAT-VFADXPBXSA-N 1 0 306.431 3.826 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)C1CC1 ZINC000540287691 1016504509 /nfs/dbraw/zinc/50/45/09/1016504509.db2.gz FFFNISCAVFPQKG-HNNXBMFYSA-N 1 0 321.421 3.524 20 5 DHBDRO CC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000185064723 1016531255 /nfs/dbraw/zinc/53/12/55/1016531255.db2.gz NKPDOBGTTJLZMB-AWEZNQCLSA-N 1 0 321.402 3.561 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000072667084 1016779208 /nfs/dbraw/zinc/77/92/08/1016779208.db2.gz CQZLKBZHXJPKAP-OAHLLOKOSA-N 1 0 317.433 3.606 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000323600804 1016905930 /nfs/dbraw/zinc/90/59/30/1016905930.db2.gz HORQDRNNRLWTHM-DAYGRLMNSA-N 1 0 320.433 3.824 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000896950601 1016954934 /nfs/dbraw/zinc/95/49/34/1016954934.db2.gz DOZWYOFLMLRGBY-BXKDBHETSA-N 1 0 300.811 3.622 20 5 DHBDRO Cc1cc(F)ccc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000237428676 1016989052 /nfs/dbraw/zinc/98/90/52/1016989052.db2.gz FXYUDMUSQDGUDM-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC001171286897 1032251266 /nfs/dbraw/zinc/25/12/66/1032251266.db2.gz MQCBJIOVLNVUQB-DGCLKSJQSA-N 1 0 310.369 3.657 20 5 DHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCC1 ZINC000475194695 1017069969 /nfs/dbraw/zinc/06/99/69/1017069969.db2.gz QWYUMIMTTJQBIP-VIFPVBQESA-N 1 0 302.296 3.892 20 5 DHBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001171297980 1032284620 /nfs/dbraw/zinc/28/46/20/1032284620.db2.gz QXCNDVIQCLANJW-ULQDDVLXSA-N 1 0 320.433 3.775 20 5 DHBDRO CC[C@H](C)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773028768 1032532452 /nfs/dbraw/zinc/53/24/52/1032532452.db2.gz UNUAQQKSNGQKQP-LSDHHAIUSA-N 1 0 319.449 3.978 20 5 DHBDRO CC[C@@H](C)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000773028764 1032532831 /nfs/dbraw/zinc/53/28/31/1032532831.db2.gz UNUAQQKSNGQKQP-CABCVRRESA-N 1 0 319.449 3.978 20 5 DHBDRO CCCCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000773080482 1032550393 /nfs/dbraw/zinc/55/03/93/1032550393.db2.gz MLWXRQWDFYVOSC-KRWDZBQOSA-N 1 0 316.405 3.703 20 5 DHBDRO O=[N+]([O-])c1cccc(CN2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000517397328 1012978188 /nfs/dbraw/zinc/97/81/88/1012978188.db2.gz WZNADKOQBKKYIA-KRWDZBQOSA-N 1 0 300.333 3.666 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000336862976 1013009315 /nfs/dbraw/zinc/00/93/15/1013009315.db2.gz HEHBKUVUZGYRHJ-QRTARXTBSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000336862973 1013012883 /nfs/dbraw/zinc/01/28/83/1013012883.db2.gz HEHBKUVUZGYRHJ-KMFMINBZSA-N 1 0 306.406 3.577 20 5 DHBDRO CC[N@H+](CCC1CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000760537318 1032684626 /nfs/dbraw/zinc/68/46/26/1032684626.db2.gz NJMPWAGDVKQVQT-UHFFFAOYSA-N 1 0 322.796 3.677 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000611509745 1017225882 /nfs/dbraw/zinc/22/58/82/1017225882.db2.gz ZQWUEZZHERODBW-KBPBESRZSA-N 1 0 323.462 3.747 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2)C1 ZINC000075623281 1017335665 /nfs/dbraw/zinc/33/56/65/1017335665.db2.gz MXWFIWQDVAAMDX-KDOFPFPSSA-N 1 0 312.369 3.729 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000925155559 1017549156 /nfs/dbraw/zinc/54/91/56/1017549156.db2.gz WHPJFUCEBYUUSP-SFHVURJKSA-N 1 0 311.385 3.663 20 5 DHBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444652752 1017606434 /nfs/dbraw/zinc/60/64/34/1017606434.db2.gz KCDVPQGGMZGSOM-BLLLJJGKSA-N 1 0 316.405 3.872 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000444659757 1017609276 /nfs/dbraw/zinc/60/92/76/1017609276.db2.gz DZJNWBHZEZGSAZ-SMDDNHRTSA-N 1 0 310.369 3.753 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2ccc(Cl)nc21)c1ccc([N+](=O)[O-])cc1 ZINC000857913478 1032716271 /nfs/dbraw/zinc/71/62/71/1032716271.db2.gz LEIVFDVNJBULNM-HZMBPMFUSA-N 1 0 317.776 3.981 20 5 DHBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000091483087 1017762745 /nfs/dbraw/zinc/76/27/45/1017762745.db2.gz AZVFCLUHXJQSSI-CYBMUJFWSA-N 1 0 321.421 3.526 20 5 DHBDRO O[C@@]1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCSC1 ZINC000176757204 1017952333 /nfs/dbraw/zinc/95/23/33/1017952333.db2.gz MWDMNRAAMGNORJ-HXUWFJFHSA-N 1 0 323.461 3.951 20 5 DHBDRO COc1cc(C[NH2+][C@H](CC(F)(F)F)C(C)C)ccc1[N+](=O)[O-] ZINC000445881360 1017998201 /nfs/dbraw/zinc/99/82/01/1017998201.db2.gz SLRLARWJNIIBAU-LLVKDONJSA-N 1 0 320.311 3.670 20 5 DHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000445890117 1018003047 /nfs/dbraw/zinc/00/30/47/1018003047.db2.gz KYAOCSJOLLFHCV-NSHDSACASA-N 1 0 308.275 3.801 20 5 DHBDRO C/C(=C\c1ccccc1)C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000524687540 1018068451 /nfs/dbraw/zinc/06/84/51/1018068451.db2.gz SLNYUXBSJUPLRC-FYWRMAATSA-N 1 0 312.369 3.667 20 5 DHBDRO CC(C)N(Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278140050 1018198826 /nfs/dbraw/zinc/19/88/26/1018198826.db2.gz AUQHYDMHLFSUDD-UHFFFAOYSA-N 1 0 319.317 3.507 20 5 DHBDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000245646720 1018271482 /nfs/dbraw/zinc/27/14/82/1018271482.db2.gz CHYUKIOJFCCJJJ-LBTNJELSSA-N 1 0 314.385 3.758 20 5 DHBDRO CS[C@H]1CCCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000441136339 1018278857 /nfs/dbraw/zinc/27/88/57/1018278857.db2.gz VYYXHPOMIYMYRI-INIZCTEOSA-N 1 0 324.446 3.581 20 5 DHBDRO COc1ccc(OCC[N@H+](C)C2CCCCCC2)c([N+](=O)[O-])c1 ZINC000441243604 1018368066 /nfs/dbraw/zinc/36/80/66/1018368066.db2.gz AHZUHJNJTXMZQQ-UHFFFAOYSA-N 1 0 322.405 3.637 20 5 DHBDRO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000447599950 1018436562 /nfs/dbraw/zinc/43/65/62/1018436562.db2.gz LAUBZWHPQJZVMS-HBUWYVDXSA-N 1 0 318.417 3.767 20 5 DHBDRO Cc1cccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1C ZINC001168757354 1018457633 /nfs/dbraw/zinc/45/76/33/1018457633.db2.gz CCXUGCRGFAADGT-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000704229941 1018530263 /nfs/dbraw/zinc/53/02/63/1018530263.db2.gz AGXWQISAVWYPCL-OLZOCXBDSA-N 1 0 312.822 3.718 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000572977817 1018556824 /nfs/dbraw/zinc/55/68/24/1018556824.db2.gz LHGYJRHJIRQCKG-KBPBESRZSA-N 1 0 304.390 3.737 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)c(Cl)c1 ZINC000611785000 1018658918 /nfs/dbraw/zinc/65/89/18/1018658918.db2.gz SJPJXLFWOFNCCJ-LBPRGKRZSA-N 1 0 306.749 3.831 20 5 DHBDRO CC[C@@H]([NH2+]CCC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000693830167 1018775370 /nfs/dbraw/zinc/77/53/70/1018775370.db2.gz YDBWBZUEKQMAOD-CYBMUJFWSA-N 1 0 312.460 3.832 20 5 DHBDRO O[C@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)[C@@H]1CCCO1 ZINC000858227518 1032809066 /nfs/dbraw/zinc/80/90/66/1032809066.db2.gz URIXFBOTSNWRKC-RTWAWAEBSA-N 1 0 321.420 3.623 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000611071387 1019394261 /nfs/dbraw/zinc/39/42/61/1019394261.db2.gz BLITUEVVAKPJIZ-INIZCTEOSA-N 1 0 318.323 3.693 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000611265356 1019428923 /nfs/dbraw/zinc/42/89/23/1019428923.db2.gz AHPDSBQFUQXZTA-QGZVFWFLSA-N 1 0 312.369 3.946 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000611350313 1019449959 /nfs/dbraw/zinc/44/99/59/1019449959.db2.gz ICCQPDDBOPEGOT-HOTGVXAUSA-N 1 0 318.417 3.542 20 5 DHBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000611374905 1019460684 /nfs/dbraw/zinc/46/06/84/1019460684.db2.gz YZHGBTJTLLRQQB-AWEZNQCLSA-N 1 0 300.358 3.715 20 5 DHBDRO O=[N+]([O-])c1ccsc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000611414759 1019479463 /nfs/dbraw/zinc/47/94/63/1019479463.db2.gz WNYWRYYSHPOXKP-UHFFFAOYSA-N 1 0 323.462 3.749 20 5 DHBDRO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132234147 1019481733 /nfs/dbraw/zinc/48/17/33/1019481733.db2.gz AZVBCTCUYXKMII-KDOFPFPSSA-N 1 0 317.433 3.732 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C(C)C)C(C)C ZINC000611434144 1019482896 /nfs/dbraw/zinc/48/28/96/1019482896.db2.gz RCKRCCDMQWCMJO-UHFFFAOYSA-N 1 0 321.421 3.502 20 5 DHBDRO Cc1ccc([C@@H](C)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000611480942 1019500077 /nfs/dbraw/zinc/50/00/77/1019500077.db2.gz YJZRPGSLBRSHNI-CYBMUJFWSA-N 1 0 323.356 3.657 20 5 DHBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[N@H+](C)C1CC1 ZINC000301825873 1019506068 /nfs/dbraw/zinc/50/60/68/1019506068.db2.gz MMOSNRLGXASNRI-VIFPVBQESA-N 1 0 317.311 3.508 20 5 DHBDRO Cc1cnccc1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278778527 1019794025 /nfs/dbraw/zinc/79/40/25/1019794025.db2.gz PPNAZKYBTSBQIS-SFHVURJKSA-N 1 0 311.385 3.508 20 5 DHBDRO Cc1cc(N2CC[C@@H](C)[C@@H](F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611931012 1019882330 /nfs/dbraw/zinc/88/23/30/1019882330.db2.gz FPWNLYBBWMBJBS-YGRLFVJLSA-N 1 0 303.337 3.636 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000154217957 1020054337 /nfs/dbraw/zinc/05/43/37/1020054337.db2.gz LVFCLQVMLRXEJQ-YPMHNXCESA-N 1 0 310.419 3.540 20 5 DHBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000123356114 1020061174 /nfs/dbraw/zinc/06/11/74/1020061174.db2.gz XKIWGBWQLOWNHC-BETUJISGSA-N 1 0 315.373 3.665 20 5 DHBDRO Cc1noc(C)c1[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000092332252 1020084773 /nfs/dbraw/zinc/08/47/73/1020084773.db2.gz DIQNFOFHGWKDLD-QMMMGPOBSA-N 1 0 309.753 3.704 20 5 DHBDRO C[N@H+](CCc1ccccc1F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000731669170 1020134494 /nfs/dbraw/zinc/13/44/94/1020134494.db2.gz CCCVJHMOASGQDC-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3[nH]ccc31)CC2 ZINC000093338416 1020147843 /nfs/dbraw/zinc/14/78/43/1020147843.db2.gz LTHIRMUZKRMRFO-UHFFFAOYSA-N 1 0 307.353 3.634 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000124350530 1020167692 /nfs/dbraw/zinc/16/76/92/1020167692.db2.gz WMSRRZBIPYVNSQ-RDTXWAMCSA-N 1 0 317.433 3.510 20 5 DHBDRO COc1ccc([C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000155211744 1020201256 /nfs/dbraw/zinc/20/12/56/1020201256.db2.gz MDVOTSFTCIXHEH-CQSZACIVSA-N 1 0 318.398 3.654 20 5 DHBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1Cc2ccccc2C1 ZINC000732197702 1020205728 /nfs/dbraw/zinc/20/57/28/1020205728.db2.gz WOZDNFQRFHNFBA-UHFFFAOYSA-N 1 0 316.788 3.847 20 5 DHBDRO COc1ccc([C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000155332755 1020218214 /nfs/dbraw/zinc/21/82/14/1020218214.db2.gz YEAIIMABDRTQFY-HNNXBMFYSA-N 1 0 312.369 3.593 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnc2ccccc12 ZINC000555340318 1020218297 /nfs/dbraw/zinc/21/82/97/1020218297.db2.gz XFSYXVFZODMCIF-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO CC(C)N1CCCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000330658668 1020237719 /nfs/dbraw/zinc/23/77/19/1020237719.db2.gz QULQXDXQWNYAEB-PBHICJAKSA-N 1 0 305.422 3.508 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1cccs1)C1CC1 ZINC000155572237 1020248845 /nfs/dbraw/zinc/24/88/45/1020248845.db2.gz ODGXOKWERRXISQ-MRXNPFEDSA-N 1 0 316.426 3.810 20 5 DHBDRO O=C1C[C@@H](CC[NH2+]Cc2c3ccccc3cc3ccccc32)CN1 ZINC000922786019 1020268903 /nfs/dbraw/zinc/26/89/03/1020268903.db2.gz XCNJWJKUACKEAE-OAHLLOKOSA-N 1 0 318.420 3.609 20 5 DHBDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000477724989 1032889447 /nfs/dbraw/zinc/88/94/47/1032889447.db2.gz NEBNAVYUUZCSFH-INIZCTEOSA-N 1 0 312.369 3.689 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000732819810 1020288785 /nfs/dbraw/zinc/28/87/85/1020288785.db2.gz AZKYAORHWOLNSQ-CYBMUJFWSA-N 1 0 302.378 3.531 20 5 DHBDRO CC(=O)c1ccc(NCCC[NH2+]C2CCCCC2)c([N+](=O)[O-])c1 ZINC000073587635 1020293144 /nfs/dbraw/zinc/29/31/44/1020293144.db2.gz YESBZXKCZMBQEL-UHFFFAOYSA-N 1 0 319.405 3.522 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCc2cccnc21 ZINC000922879814 1020324223 /nfs/dbraw/zinc/32/42/23/1020324223.db2.gz CRZAQDCCWXXZIG-FAOGRTBUSA-N 1 0 309.369 3.670 20 5 DHBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000766004099 1020332741 /nfs/dbraw/zinc/33/27/41/1020332741.db2.gz CQAMNHFVMXNNTH-OLZOCXBDSA-N 1 0 321.421 3.584 20 5 DHBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000766006468 1020340134 /nfs/dbraw/zinc/34/01/34/1020340134.db2.gz LANOPHMMPXBOEU-CHWSQXEVSA-N 1 0 321.421 3.584 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000393418292 1020386332 /nfs/dbraw/zinc/38/63/32/1020386332.db2.gz GRYPACVTVOJVMK-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1cc(NC[C@H](O)c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302154217 1020415182 /nfs/dbraw/zinc/41/51/82/1020415182.db2.gz ILDQXJRMRZHOOL-SFHVURJKSA-N 1 0 323.352 3.597 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000765847389 1020486430 /nfs/dbraw/zinc/48/64/30/1020486430.db2.gz BRDDINPGUHXTPA-KMANFZQXSA-N 1 0 318.417 3.577 20 5 DHBDRO CCOc1cccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000766195175 1020515728 /nfs/dbraw/zinc/51/57/28/1020515728.db2.gz YYRFANKWUNVGEQ-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO CC(C)C[NH+](CC(C)C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000057394880 1020545494 /nfs/dbraw/zinc/54/54/94/1020545494.db2.gz CFIBOFBROJANPF-UHFFFAOYSA-N 1 0 304.394 3.516 20 5 DHBDRO Cc1ccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000715647174 1020553963 /nfs/dbraw/zinc/55/39/63/1020553963.db2.gz VXOLIDGUNPPGEK-MRXNPFEDSA-N 1 0 311.385 3.590 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nc(C)cs1 ZINC000615722582 1020579931 /nfs/dbraw/zinc/57/99/31/1020579931.db2.gz PWZWLAJCBQCKCL-WQLSENKSSA-N 1 0 317.414 3.595 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411714823 1020581108 /nfs/dbraw/zinc/58/11/08/1020581108.db2.gz AICJDFXDFNEYPQ-WMZOPIPTSA-N 1 0 314.360 3.764 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000058092785 1020590023 /nfs/dbraw/zinc/59/00/23/1020590023.db2.gz UFJCQJZVPIOJSU-UHFFFAOYSA-N 1 0 322.311 3.529 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000735509381 1020741899 /nfs/dbraw/zinc/74/18/99/1020741899.db2.gz YFDWXDHCICTRTM-CYBMUJFWSA-N 1 0 302.349 3.763 20 5 DHBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000735491646 1020743760 /nfs/dbraw/zinc/74/37/60/1020743760.db2.gz OHYCVXOWKXPKIM-UHFFFAOYSA-N 1 0 312.797 3.639 20 5 DHBDRO CC(C)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000738241278 1020867385 /nfs/dbraw/zinc/86/73/85/1020867385.db2.gz SNTZBSLKTIIMRK-CQSZACIVSA-N 1 0 316.405 3.660 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(CCO)CCCCC1 ZINC000581380546 1020884141 /nfs/dbraw/zinc/88/41/41/1020884141.db2.gz XUWIWUHBSNVWNK-INIZCTEOSA-N 1 0 318.417 3.505 20 5 DHBDRO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000581548926 1020891193 /nfs/dbraw/zinc/89/11/93/1020891193.db2.gz ATJQUYAYLVHDHA-OAHLLOKOSA-N 1 0 306.406 3.718 20 5 DHBDRO COCC[C@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414188045 1020975018 /nfs/dbraw/zinc/97/50/18/1020975018.db2.gz DORPHUYXWNBSOD-BLLLJJGKSA-N 1 0 306.406 3.579 20 5 DHBDRO COc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000120127714 1021045117 /nfs/dbraw/zinc/04/51/17/1021045117.db2.gz KQYJASOECKAQJK-INIZCTEOSA-N 1 0 312.369 3.593 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000537965952 1032954522 /nfs/dbraw/zinc/95/45/22/1032954522.db2.gz NXZYXTFACTZKNG-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000742589418 1021139750 /nfs/dbraw/zinc/13/97/50/1021139750.db2.gz HQSYUDNPWLYRSU-AWEZNQCLSA-N 1 0 312.369 3.593 20 5 DHBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001218312261 1021190855 /nfs/dbraw/zinc/19/08/55/1021190855.db2.gz VDIRTYXHCJZGLO-LBPRGKRZSA-N 1 0 319.188 3.669 20 5 DHBDRO CC(C)[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277440 1021209611 /nfs/dbraw/zinc/20/96/11/1021209611.db2.gz PKMKLFISMXKBRV-MRXNPFEDSA-N 1 0 320.414 3.600 20 5 DHBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279146 1021230336 /nfs/dbraw/zinc/23/03/36/1021230336.db2.gz VPFUCQMFDKULDI-XKQJLSEDSA-N 1 0 306.406 3.529 20 5 DHBDRO CCCC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H](C)CC ZINC000917437820 1021260185 /nfs/dbraw/zinc/26/01/85/1021260185.db2.gz LRJNIJPPNCRZMN-ZDUSSCGKSA-N 1 0 304.394 3.803 20 5 DHBDRO COc1ccc(CC(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000189452837 1021361786 /nfs/dbraw/zinc/36/17/86/1021361786.db2.gz GFURZQFJTHMGTJ-UHFFFAOYSA-N 1 0 314.385 3.714 20 5 DHBDRO Cc1[nH+]c2c(n1Cc1ccc(Cl)cc1[N+](=O)[O-])CCCC2 ZINC000130549762 1021390981 /nfs/dbraw/zinc/39/09/81/1021390981.db2.gz JVLYEWJSAJOZMO-UHFFFAOYSA-N 1 0 305.765 3.680 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000194515101 1021394668 /nfs/dbraw/zinc/39/46/68/1021394668.db2.gz LZIIOFFEJBFBHM-ZDUSSCGKSA-N 1 0 300.358 3.844 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000618571590 1021435864 /nfs/dbraw/zinc/43/58/64/1021435864.db2.gz RVYMOIVTJSERHP-FZKQIMNGSA-N 1 0 311.385 3.761 20 5 DHBDRO CSCC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000850356249 1021485926 /nfs/dbraw/zinc/48/59/26/1021485926.db2.gz QVJBRSRGBLXLIH-UHFFFAOYSA-N 1 0 314.838 3.871 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000414482426 1021492811 /nfs/dbraw/zinc/49/28/11/1021492811.db2.gz XOPPTOKKCOFDBQ-UHFFFAOYSA-N 1 0 306.431 3.765 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000695087375 1021512664 /nfs/dbraw/zinc/51/26/64/1021512664.db2.gz INFTWHRBCZWLGR-JTQLQIEISA-N 1 0 304.724 3.916 20 5 DHBDRO CC1(C)CC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000565560048 1021650963 /nfs/dbraw/zinc/65/09/63/1021650963.db2.gz CBOTZMBICIWVDQ-AWEZNQCLSA-N 1 0 317.414 3.997 20 5 DHBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000182691034 1021767743 /nfs/dbraw/zinc/76/77/43/1021767743.db2.gz ASJPFRZNUBJBMW-LLVKDONJSA-N 1 0 303.362 3.794 20 5 DHBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000925466244 1021798897 /nfs/dbraw/zinc/79/88/97/1021798897.db2.gz LHOMOPRRFQFZFR-GFCCVEGCSA-N 1 0 305.403 3.725 20 5 DHBDRO O=C(C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000122660045 1021899540 /nfs/dbraw/zinc/89/95/40/1021899540.db2.gz VAXNKWRVTREMCD-GOSISDBHSA-N 1 0 324.380 3.832 20 5 DHBDRO Cc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cnc1F ZINC000893092595 1021913590 /nfs/dbraw/zinc/91/35/90/1021913590.db2.gz OISQPSCWEFQBJA-UHFFFAOYSA-N 1 0 317.364 3.550 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271460602 1022081532 /nfs/dbraw/zinc/08/15/32/1022081532.db2.gz JYMLNUBBULGUSJ-IRXDYDNUSA-N 1 0 318.348 3.508 20 5 DHBDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584004 1022094908 /nfs/dbraw/zinc/09/49/08/1022094908.db2.gz ISTZGCKVMKWIDK-WBVHZDCISA-N 1 0 320.433 3.776 20 5 DHBDRO CC1CCC([N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000776580393 1022097459 /nfs/dbraw/zinc/09/74/59/1022097459.db2.gz UVXIXBNZTSCRFH-LEHRNKBSSA-N 1 0 318.417 3.671 20 5 DHBDRO CC(C)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776580396 1022098339 /nfs/dbraw/zinc/09/83/39/1022098339.db2.gz UZXHFQYZINQAFR-QGZVFWFLSA-N 1 0 306.406 3.529 20 5 DHBDRO C[C@]12CC3CC([NH2+][C@H]4CC[C@H](C[N+](=O)[O-])C4)(C1)C[C@@](C)(C3)C2 ZINC001168965543 1022201254 /nfs/dbraw/zinc/20/12/54/1022201254.db2.gz AMCKPEBKVULKOW-JVULPWBXSA-N 1 0 306.450 3.770 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2Cl)C1 ZINC001168967488 1022203443 /nfs/dbraw/zinc/20/34/43/1022203443.db2.gz QCQGEPCJLPSRDO-ZYHUDNBSSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC001168966959 1022204112 /nfs/dbraw/zinc/20/41/12/1022204112.db2.gz MLKFRRLDDRDQDN-CABZTGNLSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCc3sccc3C2)cc1 ZINC000609322578 1022207733 /nfs/dbraw/zinc/20/77/33/1022207733.db2.gz CWUAQEWJBDSYFO-UHFFFAOYSA-N 1 0 302.399 3.647 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCC2)C1 ZINC001168991612 1022207959 /nfs/dbraw/zinc/20/79/59/1022207959.db2.gz IAVDOVCTCWMDOZ-SWLSCSKDSA-N 1 0 308.809 3.754 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2c3ccccc3-c3ccccc32)C1 ZINC001169004967 1022212020 /nfs/dbraw/zinc/21/20/20/1022212020.db2.gz SVSZSYXNWSDKFK-HUUCEWRRSA-N 1 0 322.408 3.834 20 5 DHBDRO C[N@H+](Cc1ccc(Cl)cc1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005942 1022212453 /nfs/dbraw/zinc/21/24/53/1022212453.db2.gz DKNYITMXFMWXRM-GXFFZTMASA-N 1 0 317.216 3.871 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC001169006385 1022212817 /nfs/dbraw/zinc/21/28/17/1022212817.db2.gz HHOVNWJPRXSFGP-DQYPLSBCSA-N 1 0 322.836 3.869 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC001169006386 1022213300 /nfs/dbraw/zinc/21/33/00/1022213300.db2.gz HHOVNWJPRXSFGP-JLZZUVOBSA-N 1 0 322.836 3.869 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C(c2cccs2)c2cccs2)C1 ZINC001169008031 1022213563 /nfs/dbraw/zinc/21/35/63/1022213563.db2.gz QWNPKMXPDNZEAI-NEPJUHHUSA-N 1 0 322.455 3.934 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001169012834 1022214025 /nfs/dbraw/zinc/21/40/25/1022214025.db2.gz SEWUFRZNKIRYOK-GUYCJALGSA-N 1 0 322.836 3.965 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3cccc4ccccc43)CC2)C1 ZINC001168990836 1022220312 /nfs/dbraw/zinc/22/03/12/1022220312.db2.gz DUUPLYOWXQVXBK-HOCLYGCPSA-N 1 0 310.397 3.864 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Cc3ccc(F)cc3)CC2)C1 ZINC001169036633 1022221723 /nfs/dbraw/zinc/22/17/23/1022221723.db2.gz PIGNRKLZRDBBNH-WMZOPIPTSA-N 1 0 320.408 3.526 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Sc3ccccc3)CC2)C1 ZINC001169039968 1022224382 /nfs/dbraw/zinc/22/43/82/1022224382.db2.gz WLIWZDHJDBLYAO-HUUCEWRRSA-N 1 0 320.458 3.689 20 5 DHBDRO C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025293 1022226488 /nfs/dbraw/zinc/22/64/88/1022226488.db2.gz YLPBGMNUDMRFDE-CMPLNLGQSA-N 1 0 317.216 3.871 20 5 DHBDRO Cc1cccc(C[N@H+](C2CC2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1C ZINC001169053917 1022230959 /nfs/dbraw/zinc/23/09/59/1022230959.db2.gz KJMNUZQDOINTMF-MAUKXSAKSA-N 1 0 302.418 3.713 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](CCc3ccccc3)C2)C1 ZINC001169057613 1022232338 /nfs/dbraw/zinc/23/23/38/1022232338.db2.gz WFVGQKAHEGNMBP-IPMKNSEASA-N 1 0 316.445 3.777 20 5 DHBDRO C[C@@H](CNc1ccc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000609512758 1022296128 /nfs/dbraw/zinc/29/61/28/1022296128.db2.gz IKIRIIKLUWCMBN-LBPRGKRZSA-N 1 0 305.403 3.589 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCc2ccccc2CC1 ZINC000609705574 1022336796 /nfs/dbraw/zinc/33/67/96/1022336796.db2.gz HZWDADYJRYQCHM-UHFFFAOYSA-N 1 0 316.788 3.849 20 5 DHBDRO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)ccc1C ZINC000131046694 1022572312 /nfs/dbraw/zinc/57/23/12/1022572312.db2.gz SNCQDDCGGJDSNA-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000538430097 1033062376 /nfs/dbraw/zinc/06/23/76/1033062376.db2.gz ROLKEJYPXKMQDU-WMZOPIPTSA-N 1 0 319.449 3.585 20 5 DHBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000893296277 1022618108 /nfs/dbraw/zinc/61/81/08/1022618108.db2.gz SEVJVHZUHQWZTC-HIFRSBDPSA-N 1 0 312.797 3.541 20 5 DHBDRO C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO[C@@H]1C1CC1 ZINC000767195741 1022660926 /nfs/dbraw/zinc/66/09/26/1022660926.db2.gz QKNRIEDHBUCLGJ-HZPDHXFCSA-N 1 0 324.808 3.543 20 5 DHBDRO COc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000584725932 1022666707 /nfs/dbraw/zinc/66/67/07/1022666707.db2.gz LRGKJWSTCWYYCA-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(CCO)CCC1)CCCC2 ZINC000417308772 1022675664 /nfs/dbraw/zinc/67/56/64/1022675664.db2.gz IHZDGMDBFJVTQH-QGZVFWFLSA-N 1 0 318.417 3.505 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC12CC2 ZINC000417330101 1022689857 /nfs/dbraw/zinc/68/98/57/1022689857.db2.gz AGHUXUXDTJYWKO-BPUTZDHNSA-N 1 0 300.402 3.696 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccsc1[N+](=O)[O-])c1cccc(F)c1 ZINC000068659182 1022716699 /nfs/dbraw/zinc/71/66/99/1022716699.db2.gz VLDZNKWJGRWIRO-ZDUSSCGKSA-N 1 0 309.366 3.510 20 5 DHBDRO Cc1c(C[NH2+]Cc2nccc3ccccc32)cccc1[N+](=O)[O-] ZINC000616483673 1022722452 /nfs/dbraw/zinc/72/24/52/1022722452.db2.gz ZIMKJQHARDTCBJ-UHFFFAOYSA-N 1 0 307.353 3.741 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000068836629 1022769018 /nfs/dbraw/zinc/76/90/18/1022769018.db2.gz XPGXUWKSGPLYEQ-INIZCTEOSA-N 1 0 321.327 3.588 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])cc1F ZINC000184198791 1022773413 /nfs/dbraw/zinc/77/34/13/1022773413.db2.gz GEULRWYRWUODCP-AWEZNQCLSA-N 1 0 308.353 3.507 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173342670 1022818044 /nfs/dbraw/zinc/81/80/44/1022818044.db2.gz JAFTWLISGHTOBN-DYVFJYSZSA-N 1 0 300.358 3.633 20 5 DHBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173342697 1022818700 /nfs/dbraw/zinc/81/87/00/1022818700.db2.gz JAFTWLISGHTOBN-CXAGYDPISA-N 1 0 300.358 3.633 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856807710 1022875094 /nfs/dbraw/zinc/87/50/94/1022875094.db2.gz QUQYBFIYYFDNIV-SECBINFHSA-N 1 0 323.607 3.922 20 5 DHBDRO C[C@H](CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000184505975 1022945435 /nfs/dbraw/zinc/94/54/35/1022945435.db2.gz QWSOOZXFRXUZIN-CABCVRRESA-N 1 0 305.422 3.510 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CC34CC4)cs2)c1 ZINC000418105134 1022960066 /nfs/dbraw/zinc/96/00/66/1022960066.db2.gz XOBWKEQGSCYLMI-LBPRGKRZSA-N 1 0 315.398 3.608 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001167753699 1023043304 /nfs/dbraw/zinc/04/33/04/1023043304.db2.gz PUSSGJRNVQDWJA-CYBMUJFWSA-N 1 0 316.405 3.753 20 5 DHBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000769447878 1023156630 /nfs/dbraw/zinc/15/66/30/1023156630.db2.gz ZKSBCIAYXQQCLG-CQSZACIVSA-N 1 0 318.398 3.544 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000382154526 1023183589 /nfs/dbraw/zinc/18/35/89/1023183589.db2.gz OPUYRYOVGGNYLF-XCAIRMDXSA-N 1 0 318.417 3.908 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000382154524 1023184710 /nfs/dbraw/zinc/18/47/10/1023184710.db2.gz OPUYRYOVGGNYLF-FKFRUQKQSA-N 1 0 318.417 3.908 20 5 DHBDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000048054383 1023704087 /nfs/dbraw/zinc/70/40/87/1023704087.db2.gz KKDAGVGBYWXWKX-UHFFFAOYSA-N 1 0 300.358 3.626 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(Cl)nc1 ZINC000786812660 1023730732 /nfs/dbraw/zinc/73/07/32/1023730732.db2.gz RUPFCJLVHVQRAG-GHXNOFRVSA-N 1 0 317.776 3.836 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499463 1023894696 /nfs/dbraw/zinc/89/46/96/1023894696.db2.gz UMANQJZTQUKDKI-SNVBAGLBSA-N 1 0 305.765 3.681 20 5 DHBDRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788570162 1023909083 /nfs/dbraw/zinc/90/90/83/1023909083.db2.gz ICJOSFYOCMADPS-KBPBESRZSA-N 1 0 313.401 3.767 20 5 DHBDRO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788570169 1023909421 /nfs/dbraw/zinc/90/94/21/1023909421.db2.gz ICJOSFYOCMADPS-ZIAGYGMSSA-N 1 0 313.401 3.767 20 5 DHBDRO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638905 1023917531 /nfs/dbraw/zinc/91/75/31/1023917531.db2.gz JYPHSTDDXWPSRK-OAVHHTNSSA-N 1 0 311.385 3.761 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788637455 1023918020 /nfs/dbraw/zinc/91/80/20/1023918020.db2.gz CGBKBQIBNDLUFE-HWPZZCPQSA-N 1 0 315.348 3.654 20 5 DHBDRO C[C@@H]([NH2+]CCCCO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000194217817 1023993097 /nfs/dbraw/zinc/99/30/97/1023993097.db2.gz LUWQVIQZUVPZDM-GFCCVEGCSA-N 1 0 320.414 3.746 20 5 DHBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876920649 1033183877 /nfs/dbraw/zinc/18/38/77/1033183877.db2.gz YWZXRPKVQUENTI-BCAXMMLOSA-N 1 0 320.437 3.689 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000268944982 1024200588 /nfs/dbraw/zinc/20/05/88/1024200588.db2.gz BAALADOJAMJIBP-RHSMWYFYSA-N 1 0 314.385 3.678 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H](O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000269007823 1024218321 /nfs/dbraw/zinc/21/83/21/1024218321.db2.gz QZFLEYSJHKADGT-JKSUJKDBSA-N 1 0 318.373 3.661 20 5 DHBDRO CC(C)CC(CC(C)C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877013667 1033204378 /nfs/dbraw/zinc/20/43/78/1033204378.db2.gz VHEKABYSFODFFY-UHFFFAOYSA-N 1 0 308.426 3.545 20 5 DHBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000453147128 1024351862 /nfs/dbraw/zinc/35/18/62/1024351862.db2.gz ISIPVVCFJNTVOW-UHOFOFEASA-N 1 0 304.390 3.511 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC1(C)C ZINC000453281574 1024439195 /nfs/dbraw/zinc/43/91/95/1024439195.db2.gz HHZPHLNCYNPIAF-WFASDCNBSA-N 1 0 324.446 3.623 20 5 DHBDRO CC[C@@H]([NH2+]CCCc1ncccc1C)c1cccc([N+](=O)[O-])c1 ZINC000453310579 1024455828 /nfs/dbraw/zinc/45/58/28/1024455828.db2.gz RUAUKPVQDMDCBW-QGZVFWFLSA-N 1 0 313.401 3.972 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453352213 1024477084 /nfs/dbraw/zinc/47/70/84/1024477084.db2.gz INXUUFMFFFKYGS-RHSMWYFYSA-N 1 0 320.458 3.745 20 5 DHBDRO CC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453367948 1024490450 /nfs/dbraw/zinc/49/04/50/1024490450.db2.gz MOZJWUTUGVYFCW-DLBZAZTESA-N 1 0 304.390 3.548 20 5 DHBDRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453402524 1024500251 /nfs/dbraw/zinc/50/02/51/1024500251.db2.gz AFVMOLPNLYINEF-RDBSUJKOSA-N 1 0 308.426 3.689 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000453390450 1024511038 /nfs/dbraw/zinc/51/10/38/1024511038.db2.gz XPYMFDVSPVDHKH-SUMWQHHRSA-N 1 0 318.417 3.724 20 5 DHBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCCC2)c(F)c1 ZINC000520331754 1024518347 /nfs/dbraw/zinc/51/83/47/1024518347.db2.gz FCQKTQNCTDTKNO-UHFFFAOYSA-N 1 0 309.385 3.802 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000271520729 1024530467 /nfs/dbraw/zinc/53/04/67/1024530467.db2.gz PKWWHTSOUCNIOB-ZFWWWQNUSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000271569366 1024543354 /nfs/dbraw/zinc/54/33/54/1024543354.db2.gz YYYVDVSFHYDZLO-XWCIJXRUSA-N 1 0 318.348 3.507 20 5 DHBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)O1 ZINC000453634396 1024556866 /nfs/dbraw/zinc/55/68/66/1024556866.db2.gz SHKMNHIKKQLVPI-IUODEOHRSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N1CCCC[C@H]1C ZINC000532192718 1024573043 /nfs/dbraw/zinc/57/30/43/1024573043.db2.gz DWFDZRPKVVNCGZ-OAGGEKHMSA-N 1 0 319.449 3.817 20 5 DHBDRO CC[C@H]1CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000569949138 1024590915 /nfs/dbraw/zinc/59/09/15/1024590915.db2.gz WFWDUHYZYWEJBO-MQMHXKEQSA-N 1 0 322.405 3.670 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(Cl)c2N)cc1[N+](=O)[O-] ZINC000877074118 1033230294 /nfs/dbraw/zinc/23/02/94/1033230294.db2.gz ZLVXTIDDIPPSSO-NSHDSACASA-N 1 0 319.792 3.990 20 5 DHBDRO COCC(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000066995958 1024730578 /nfs/dbraw/zinc/73/05/78/1024730578.db2.gz XJNUCFSIZRMZBR-UHFFFAOYSA-N 1 0 320.414 3.838 20 5 DHBDRO CC1(C)C[C@@H](NCc2nccs2)c2cc([N+](=O)[O-])ccc21 ZINC000279117709 1024739656 /nfs/dbraw/zinc/73/96/56/1024739656.db2.gz PSHKAOOBLGBIEO-CYBMUJFWSA-N 1 0 303.387 3.564 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001170313031 1024742119 /nfs/dbraw/zinc/74/21/19/1024742119.db2.gz JCMAXDKESYCETO-MLGOLLRUSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329876 1024747509 /nfs/dbraw/zinc/74/75/09/1024747509.db2.gz WHEAEZIAJHVJMC-HZSPNIEDSA-N 1 0 306.406 3.797 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170341249 1024756147 /nfs/dbraw/zinc/75/61/47/1024756147.db2.gz HMXRWBNEBKFGBN-ZIAGYGMSSA-N 1 0 306.406 3.799 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170347997 1024757306 /nfs/dbraw/zinc/75/73/06/1024757306.db2.gz UNJRKOODBWBGKX-RDBSUJKOSA-N 1 0 306.406 3.655 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(CSC)CC1 ZINC000385377407 1024791751 /nfs/dbraw/zinc/79/17/51/1024791751.db2.gz MWACPFZLSRDEGI-UHFFFAOYSA-N 1 0 324.446 3.615 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000134791159 1033245290 /nfs/dbraw/zinc/24/52/90/1033245290.db2.gz HQUNHWIFQGLCRD-UOJCXKCYSA-N 1 0 316.401 3.511 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000539050160 1033254027 /nfs/dbraw/zinc/25/40/27/1033254027.db2.gz DZMZQILYTXQPQP-CYBMUJFWSA-N 1 0 324.384 3.673 20 5 DHBDRO C[C@H](NCc1ccn(C2CCCC2)n1)c1ccccc1[N+](=O)[O-] ZINC000120895871 1025062069 /nfs/dbraw/zinc/06/20/69/1025062069.db2.gz PCSLXDPOLUWPQW-ZDUSSCGKSA-N 1 0 314.389 3.757 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000353449757 1025072377 /nfs/dbraw/zinc/07/23/77/1025072377.db2.gz SIYYQVJYHOTUQF-INIZCTEOSA-N 1 0 322.405 3.623 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3cc[nH]c3n1)CCC2 ZINC000353638890 1025171107 /nfs/dbraw/zinc/17/11/07/1025171107.db2.gz BVJUPUAIIKCXDW-QGZVFWFLSA-N 1 0 322.368 3.638 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c(Cl)c1 ZINC001207645461 1025261262 /nfs/dbraw/zinc/26/12/62/1025261262.db2.gz NKLHMBDHNNXAPF-AWEZNQCLSA-N 1 0 324.808 3.830 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1cnn2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000353872480 1025273797 /nfs/dbraw/zinc/27/37/97/1025273797.db2.gz VVUQZBGSQREOOC-QGZVFWFLSA-N 1 0 324.384 3.874 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCOCC2)s1 ZINC000171050764 1025286582 /nfs/dbraw/zinc/28/65/82/1025286582.db2.gz VKCPBBILGXDFRP-UHFFFAOYSA-N 1 0 318.398 3.592 20 5 DHBDRO CCOc1cccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000171129205 1025299673 /nfs/dbraw/zinc/29/96/73/1025299673.db2.gz NXJYBYWSULYZEI-ZDUSSCGKSA-N 1 0 300.358 3.844 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(C(F)(F)F)CC1)CCC2 ZINC000353948430 1025301440 /nfs/dbraw/zinc/30/14/40/1025301440.db2.gz UQNWXDYDTFRTRI-CYBMUJFWSA-N 1 0 314.307 3.904 20 5 DHBDRO CCCN1CCC[C@@H]1C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000353971639 1025308175 /nfs/dbraw/zinc/30/81/75/1025308175.db2.gz LIBJNCNQYJXRPT-IAGOWNOFSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1nc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])sc1C ZINC000897459399 1025360013 /nfs/dbraw/zinc/36/00/13/1025360013.db2.gz LRLQENIESASIDO-SNVBAGLBSA-N 1 0 305.403 3.561 20 5 DHBDRO C[C@H](C[NH2+]Cc1csc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000897469562 1025404350 /nfs/dbraw/zinc/40/43/50/1025404350.db2.gz MOEJLNXHLTZPEY-LLVKDONJSA-N 1 0 317.414 3.822 20 5 DHBDRO CO[C@@H]1CCC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000885999975 1025430924 /nfs/dbraw/zinc/43/09/24/1025430924.db2.gz RIZSRHYGMBYKCS-FUHWJXTLSA-N 1 0 320.433 3.855 20 5 DHBDRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000886010594 1025436622 /nfs/dbraw/zinc/43/66/22/1025436622.db2.gz LTKYFGPNSPWMTO-FVQBIDKESA-N 1 0 306.406 3.902 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000090217422 1025454551 /nfs/dbraw/zinc/45/45/51/1025454551.db2.gz VNFBZKSGLNBVRI-VXGBXAGGSA-N 1 0 314.389 3.722 20 5 DHBDRO Cc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747211839 1025458652 /nfs/dbraw/zinc/45/86/52/1025458652.db2.gz OKHWDSOMPLNYRU-GFCCVEGCSA-N 1 0 311.813 3.523 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000886062291 1025460107 /nfs/dbraw/zinc/46/01/07/1025460107.db2.gz LSUFTWJNUZSQPB-MRXNPFEDSA-N 1 0 315.348 3.760 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000886062290 1025460570 /nfs/dbraw/zinc/46/05/70/1025460570.db2.gz LSUFTWJNUZSQPB-INIZCTEOSA-N 1 0 315.348 3.760 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OC3CCCCC3)CC2)c1 ZINC000125451752 1025474838 /nfs/dbraw/zinc/47/48/38/1025474838.db2.gz KILVCTRDQIXXEA-UHFFFAOYSA-N 1 0 318.417 3.909 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)CC2CCCC2)C2CC2)c1 ZINC000354847445 1025524150 /nfs/dbraw/zinc/52/41/50/1025524150.db2.gz BTXPKCJTTNHOIZ-SFHVURJKSA-N 1 0 318.417 3.500 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000886344777 1025597340 /nfs/dbraw/zinc/59/73/40/1025597340.db2.gz LGBLYLASYDJCTN-KRWDZBQOSA-N 1 0 318.417 3.732 20 5 DHBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](CC)c1ccccc1 ZINC000355554443 1025763330 /nfs/dbraw/zinc/76/33/30/1025763330.db2.gz NHRWVWMJHIXYFF-OAHLLOKOSA-N 1 0 316.405 3.692 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)cccc1[N+](=O)[O-] ZINC000886700504 1025811377 /nfs/dbraw/zinc/81/13/77/1025811377.db2.gz ATLWHEMQPIUVCJ-KGLIPLIRSA-N 1 0 304.390 3.513 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075996692 1025854787 /nfs/dbraw/zinc/85/47/87/1025854787.db2.gz DOVDKMBSICTOGM-JTQLQIEISA-N 1 0 302.296 3.930 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000089513252 1026051003 /nfs/dbraw/zinc/05/10/03/1026051003.db2.gz GAPFPMPHBVZDGE-LBPRGKRZSA-N 1 0 315.329 3.662 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000747532693 1026416316 /nfs/dbraw/zinc/41/63/16/1026416316.db2.gz QTJYHOUGVLPSFB-MRXNPFEDSA-N 1 0 324.808 3.641 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000747532731 1026417357 /nfs/dbraw/zinc/41/73/57/1026417357.db2.gz RPPNXDQHCXYVBG-INIZCTEOSA-N 1 0 324.808 3.641 20 5 DHBDRO Cc1cccc(CCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000809688389 1026594430 /nfs/dbraw/zinc/59/44/30/1026594430.db2.gz ADANJQNOGOYMSR-UHFFFAOYSA-N 1 0 319.792 3.674 20 5 DHBDRO CC1(C)C([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1(C)C ZINC000809756132 1026617721 /nfs/dbraw/zinc/61/77/21/1026617721.db2.gz RHGRQKICMGZQER-UHFFFAOYSA-N 1 0 317.433 3.588 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000063133656 1026643584 /nfs/dbraw/zinc/64/35/84/1026643584.db2.gz PUFYKSOYGWIVEI-CQSZACIVSA-N 1 0 305.403 3.725 20 5 DHBDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000280497704 1026656191 /nfs/dbraw/zinc/65/61/91/1026656191.db2.gz MRWAAGZRCPRZKP-WMLDXEAASA-N 1 0 306.406 3.855 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCOC(C)(C)C1 ZINC000810043441 1026666811 /nfs/dbraw/zinc/66/68/11/1026666811.db2.gz WEZPEWRBTQYRQE-ZDUSSCGKSA-N 1 0 310.369 3.513 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000237016903 1026718870 /nfs/dbraw/zinc/71/88/70/1026718870.db2.gz JUONFUAVSRNGJM-MRXNPFEDSA-N 1 0 315.329 3.744 20 5 DHBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420283902 1026797257 /nfs/dbraw/zinc/79/72/57/1026797257.db2.gz OJQDTBIAIUIPMI-ONGXEEELSA-N 1 0 317.311 3.543 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000293730253 1026852532 /nfs/dbraw/zinc/85/25/32/1026852532.db2.gz ZFGSFSHERIMQPF-QGZVFWFLSA-N 1 0 318.348 3.983 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000237266337 1027051942 /nfs/dbraw/zinc/05/19/42/1027051942.db2.gz YWDLNBLLKMRVKK-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000571997570 1027165038 /nfs/dbraw/zinc/16/50/38/1027165038.db2.gz UCEPVIXBMAEPDA-WFASDCNBSA-N 1 0 324.808 3.639 20 5 DHBDRO Cc1cccnc1C(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574242654 1027377425 /nfs/dbraw/zinc/37/74/25/1027377425.db2.gz CWQHVZNGAOSTSC-CQSZACIVSA-N 1 0 313.401 3.927 20 5 DHBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000932170171 1027392762 /nfs/dbraw/zinc/39/27/62/1027392762.db2.gz DHZKNKJECKNJRF-ZDUSSCGKSA-N 1 0 310.369 3.513 20 5 DHBDRO Cc1noc(C[N@H+]2CCC[C@H]2[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000932274829 1027438446 /nfs/dbraw/zinc/43/84/46/1027438446.db2.gz KQUFMIWVWIPPCU-WFASDCNBSA-N 1 0 315.373 3.659 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812851048 1027444609 /nfs/dbraw/zinc/44/46/09/1027444609.db2.gz PSDQVJOMANTLGO-KBXCAEBGSA-N 1 0 314.385 3.539 20 5 DHBDRO C[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000575832364 1027509857 /nfs/dbraw/zinc/50/98/57/1027509857.db2.gz ZGPPVHLQYBADLX-TZMCWYRMSA-N 1 0 301.390 3.787 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccc([N+](=O)[O-])cc1 ZINC000423454756 1027564513 /nfs/dbraw/zinc/56/45/13/1027564513.db2.gz ZNJDMTBHWLAMLM-ZDUSSCGKSA-N 1 0 311.385 3.804 20 5 DHBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000576606588 1027638086 /nfs/dbraw/zinc/63/80/86/1027638086.db2.gz NGXYUUXLIZQWHF-GFCCVEGCSA-N 1 0 302.827 3.822 20 5 DHBDRO CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000577096651 1027708550 /nfs/dbraw/zinc/70/85/50/1027708550.db2.gz FDBOSUSZEWCRAA-LSDHHAIUSA-N 1 0 307.438 3.674 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)cc1 ZINC000601100441 1027984304 /nfs/dbraw/zinc/98/43/04/1027984304.db2.gz CTNUZDAJJRSXDH-UHFFFAOYSA-N 1 0 324.302 3.989 20 5 DHBDRO CCC1([NH+]2CCCC2)CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000601216742 1028029408 /nfs/dbraw/zinc/02/94/08/1028029408.db2.gz WKAFCMLISGCLIL-UHFFFAOYSA-N 1 0 309.435 3.501 20 5 DHBDRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578205634 1028089801 /nfs/dbraw/zinc/08/98/01/1028089801.db2.gz WEALAWVXDURPCC-XHDPSFHLSA-N 1 0 302.399 3.864 20 5 DHBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564151796 1028327760 /nfs/dbraw/zinc/32/77/60/1028327760.db2.gz JNMOLTFOIITBBR-LRDDRELGSA-N 1 0 301.390 3.787 20 5 DHBDRO C[C@H]1[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000368834677 1028413197 /nfs/dbraw/zinc/41/31/97/1028413197.db2.gz PDRKFVNJOYEZBR-GFCCVEGCSA-N 1 0 324.808 3.639 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cc(F)ccc1F ZINC000449173008 1028415219 /nfs/dbraw/zinc/41/52/19/1028415219.db2.gz DQWQMCOIUHCAGU-LBPRGKRZSA-N 1 0 320.339 3.636 20 5 DHBDRO COCCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449181105 1028436274 /nfs/dbraw/zinc/43/62/74/1028436274.db2.gz DYCKQLIGFDHGRA-HNNXBMFYSA-N 1 0 320.433 3.712 20 5 DHBDRO Cc1c(C[N@@H+](C)[C@@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000369035332 1028436985 /nfs/dbraw/zinc/43/69/85/1028436985.db2.gz LOHWGBYLIZLBLS-QGZVFWFLSA-N 1 0 311.385 3.808 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449237639 1028481617 /nfs/dbraw/zinc/48/16/17/1028481617.db2.gz OMCPWTGOCSQOHK-RYUDHWBXSA-N 1 0 319.430 3.684 20 5 DHBDRO COC1CCC(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449238716 1028484982 /nfs/dbraw/zinc/48/49/82/1028484982.db2.gz SSZDMGHRRFCWFO-UQPPLGOBSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000449309050 1028526766 /nfs/dbraw/zinc/52/67/66/1028526766.db2.gz BNOHOYQDENJZBM-JONQDZQNSA-N 1 0 320.433 3.709 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1c(F)cncc1F ZINC000449319161 1028547551 /nfs/dbraw/zinc/54/75/51/1028547551.db2.gz JAUVHIIIHKYEAO-MNOVXSKESA-N 1 0 321.327 3.550 20 5 DHBDRO Cc1ccc([C@@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815583020 1028554194 /nfs/dbraw/zinc/55/41/94/1028554194.db2.gz VGDMHSVRZWAZIP-KBPBESRZSA-N 1 0 313.401 3.940 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571842 1028566944 /nfs/dbraw/zinc/56/69/44/1028566944.db2.gz NPAWRYRQPJOEHP-LBPRGKRZSA-N 1 0 322.368 3.576 20 5 DHBDRO Cc1cc2cc(C[NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000815625672 1028578175 /nfs/dbraw/zinc/57/81/75/1028578175.db2.gz JVIOSBPCWWMBKV-LBPRGKRZSA-N 1 0 324.384 3.818 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC1CCOCC1 ZINC000449355078 1028588319 /nfs/dbraw/zinc/58/83/19/1028588319.db2.gz VJHSVVGGRVPASI-NTCAYCPXSA-N 1 0 318.417 3.795 20 5 DHBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000449396912 1028599274 /nfs/dbraw/zinc/59/92/74/1028599274.db2.gz NHSHORIEXBGBOG-CLFYSBASSA-N 1 0 311.385 3.570 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ncccc1C ZINC000449493262 1028692165 /nfs/dbraw/zinc/69/21/65/1028692165.db2.gz KYSPEKZKEJVZNG-SDNWHVSQSA-N 1 0 311.385 3.534 20 5 DHBDRO Cc1csc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449494678 1028696094 /nfs/dbraw/zinc/69/60/94/1028696094.db2.gz BFDRAVNJNYZMQQ-CQSZACIVSA-N 1 0 317.414 3.739 20 5 DHBDRO CO[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000449487018 1028697139 /nfs/dbraw/zinc/69/71/39/1028697139.db2.gz WGOVJGXNNJURKI-SFHVURJKSA-N 1 0 314.385 3.555 20 5 DHBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000816646677 1028970730 /nfs/dbraw/zinc/97/07/30/1028970730.db2.gz HMJTWMZIHJDPJW-VXGBXAGGSA-N 1 0 316.357 3.704 20 5 DHBDRO C[C@H]([NH2+][C@H]1C[C@H]1c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000411496977 1029138541 /nfs/dbraw/zinc/13/85/41/1029138541.db2.gz YOAYCJKEDSDQFX-UVBJJODRSA-N 1 0 300.333 3.941 20 5 DHBDRO Cc1cnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000374229983 1029246195 /nfs/dbraw/zinc/24/61/95/1029246195.db2.gz NXRRCZOITKKCPE-CQSZACIVSA-N 1 0 317.414 3.739 20 5 DHBDRO C[NH+](C)CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)C ZINC000569941402 1029287533 /nfs/dbraw/zinc/28/75/33/1029287533.db2.gz OLYOXWWGQTXGPW-WBVHZDCISA-N 1 0 319.449 3.538 20 5 DHBDRO CCC(CC)[N@H+](CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000570243506 1029336471 /nfs/dbraw/zinc/33/64/71/1029336471.db2.gz IDKFLBNYQOWJHD-UHFFFAOYSA-N 1 0 321.421 3.742 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1F ZINC000374774947 1029457857 /nfs/dbraw/zinc/45/78/57/1029457857.db2.gz HHKMCOBAMRXPPY-GFCCVEGCSA-N 1 0 321.377 3.570 20 5 DHBDRO CCc1cc(CCC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])on1 ZINC000451051483 1029776024 /nfs/dbraw/zinc/77/60/24/1029776024.db2.gz BPRBALRWVWEZDN-UHFFFAOYSA-N 1 0 317.389 3.603 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cs1 ZINC000530280384 1029801167 /nfs/dbraw/zinc/80/11/67/1029801167.db2.gz GUVRKKBFMCZSQN-ZDUSSCGKSA-N 1 0 306.362 3.785 20 5 DHBDRO C[C@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCOC1 ZINC000357347613 1030008794 /nfs/dbraw/zinc/00/87/94/1030008794.db2.gz VONYKOIUQSWQJC-KRWDZBQOSA-N 1 0 316.357 3.514 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000865777726 1030020545 /nfs/dbraw/zinc/02/05/45/1030020545.db2.gz BCLIUHLRBAKVHU-ZDUSSCGKSA-N 1 0 324.808 3.545 20 5 DHBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865872467 1030071959 /nfs/dbraw/zinc/07/19/59/1030071959.db2.gz RZRGXEDVUVCBSX-LLVKDONJSA-N 1 0 313.348 3.676 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451966815 1030072803 /nfs/dbraw/zinc/07/28/03/1030072803.db2.gz POUKIVDFJDMIJO-CZUORRHYSA-N 1 0 306.431 3.875 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000452054210 1030117822 /nfs/dbraw/zinc/11/78/22/1030117822.db2.gz QCAPUYJLGGOTKN-KBRIMQKVSA-N 1 0 306.406 3.902 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000924796895 1030190381 /nfs/dbraw/zinc/19/03/81/1030190381.db2.gz DOUVFBWOWHBCPA-QWRGUYRKSA-N 1 0 304.321 3.851 20 5 DHBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CC1(Cl)Cl ZINC000823024623 1030193376 /nfs/dbraw/zinc/19/33/76/1030193376.db2.gz AGIZYJDPNLWISE-LBPRGKRZSA-N 1 0 317.216 3.653 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCc2cccnc2)cc1[N+](=O)[O-] ZINC000866303801 1030213168 /nfs/dbraw/zinc/21/31/68/1030213168.db2.gz WHYNTCYHCJBDJO-HUUCEWRRSA-N 1 0 313.401 3.970 20 5 DHBDRO C[C@H](CCc1cccnc1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000866305223 1030213329 /nfs/dbraw/zinc/21/33/29/1030213329.db2.gz OYGKJFAFXDZSOC-GFCCVEGCSA-N 1 0 319.792 3.754 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000866307359 1030217235 /nfs/dbraw/zinc/21/72/35/1030217235.db2.gz YWXYJUURMCJVPU-ZWNOBZJWSA-N 1 0 316.323 3.832 20 5 DHBDRO CSCCCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340357 1030239588 /nfs/dbraw/zinc/23/95/88/1030239588.db2.gz DKRCXMMFBCJVHY-LBPRGKRZSA-N 1 0 314.426 3.788 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H]1CCCS1 ZINC000866480120 1030316889 /nfs/dbraw/zinc/31/68/89/1030316889.db2.gz FJQLTAVZSYTGFW-DGCLKSJQSA-N 1 0 310.419 3.540 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000925497404 1030379239 /nfs/dbraw/zinc/37/92/39/1030379239.db2.gz WKLZOLDXLXONMA-CFUBCSQMSA-N 1 0 304.390 3.511 20 5 DHBDRO COC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000533581179 1030442125 /nfs/dbraw/zinc/44/21/25/1030442125.db2.gz SMFNDOORMKMOML-PVAVHDDUSA-N 1 0 320.433 3.567 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)c2ccc3c(c2)COC3)cccc1[N+](=O)[O-] ZINC000358340316 1030445971 /nfs/dbraw/zinc/44/59/71/1030445971.db2.gz QHNSBIXSYULDIU-ZDUSSCGKSA-N 1 0 312.369 3.784 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000824080687 1030472062 /nfs/dbraw/zinc/47/20/62/1030472062.db2.gz IYLDFKIWJMLRAV-DLBZAZTESA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccc(F)nc3)C2)cc1 ZINC000824820614 1030648803 /nfs/dbraw/zinc/64/88/03/1030648803.db2.gz JFPITPJTIZCBGZ-OAHLLOKOSA-N 1 0 315.348 3.509 20 5 DHBDRO Cc1nc(C)c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000291815756 1030654416 /nfs/dbraw/zinc/65/44/16/1030654416.db2.gz YQONFTPPKOZPSH-UHFFFAOYSA-N 1 0 305.403 3.693 20 5 DHBDRO CCc1nc(C)c(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000291940395 1030711983 /nfs/dbraw/zinc/71/19/83/1030711983.db2.gz PVFKDGSXKNIRBU-GFCCVEGCSA-N 1 0 317.389 3.565 20 5 DHBDRO COc1ccc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000359292240 1030891329 /nfs/dbraw/zinc/89/13/29/1030891329.db2.gz DPBFHBJDNSHZFQ-DYVFJYSZSA-N 1 0 304.390 3.616 20 5 DHBDRO Cc1cccc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001171096930 1030912530 /nfs/dbraw/zinc/91/25/30/1030912530.db2.gz SZKZKPZZMKCRKH-CYBMUJFWSA-N 1 0 321.380 3.663 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000927165188 1031127573 /nfs/dbraw/zinc/12/75/73/1031127573.db2.gz ZYSIXFYOAONXOA-CZUORRHYSA-N 1 0 304.390 3.656 20 5 DHBDRO CC1(C)CC[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000360124917 1031286102 /nfs/dbraw/zinc/28/61/02/1031286102.db2.gz VMEDRXNXRUYJCD-MRXNPFEDSA-N 1 0 304.390 3.517 20 5 DHBDRO CC(F)(F)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000293067372 1031312540 /nfs/dbraw/zinc/31/25/40/1031312540.db2.gz VEJICXJFHUBOGP-UHFFFAOYSA-N 1 0 306.312 3.996 20 5 DHBDRO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035584 1031418416 /nfs/dbraw/zinc/41/84/16/1031418416.db2.gz XIENAQMDRLSAAG-KBPBESRZSA-N 1 0 323.412 3.505 20 5 DHBDRO Cc1nc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])sc1C ZINC000872043871 1031431324 /nfs/dbraw/zinc/43/13/24/1031431324.db2.gz NCNXFIAINVDHPF-JTQLQIEISA-N 1 0 323.393 3.701 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049439 1031435635 /nfs/dbraw/zinc/43/56/35/1031435635.db2.gz SSHPKZDXRLJZNZ-NXEZZACHSA-N 1 0 302.296 3.962 20 5 DHBDRO CCOCCC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872050706 1031438629 /nfs/dbraw/zinc/43/86/29/1031438629.db2.gz CGBJVCZKPLDYHX-GFCCVEGCSA-N 1 0 310.369 3.591 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)SC ZINC000872050867 1031438683 /nfs/dbraw/zinc/43/86/83/1031438683.db2.gz DEOCVZACEPZNEB-NXEZZACHSA-N 1 0 300.449 3.719 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCc2ccncc2)C2CC2)cc1 ZINC000360471968 1031439198 /nfs/dbraw/zinc/43/91/98/1031439198.db2.gz DKSSDVBKJKCJAT-UHFFFAOYSA-N 1 0 311.385 3.587 20 5 DHBDRO C[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054572 1031443633 /nfs/dbraw/zinc/44/36/33/1031443633.db2.gz ZAHXLOZTUJFFPP-QWHCGFSZSA-N 1 0 324.396 3.573 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872061120 1031454420 /nfs/dbraw/zinc/45/44/20/1031454420.db2.gz BUOAEKWERCHHKP-VHSXEESVSA-N 1 0 309.366 3.645 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000536847093 1031454400 /nfs/dbraw/zinc/45/44/00/1031454400.db2.gz SHVQXYJESRAGSL-QGZVFWFLSA-N 1 0 300.333 3.554 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000872060414 1031454813 /nfs/dbraw/zinc/45/48/13/1031454813.db2.gz PWSMNSFWTRZSSJ-AGIUHOORSA-N 1 0 324.446 3.782 20 5 DHBDRO C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063574 1031459188 /nfs/dbraw/zinc/45/91/88/1031459188.db2.gz XSFGVJWRCRKKPR-OLZOCXBDSA-N 1 0 310.369 3.734 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000872075430 1031472114 /nfs/dbraw/zinc/47/21/14/1031472114.db2.gz CNCWLHFZIVURRU-ZOWXZIJZSA-N 1 0 324.446 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000872080849 1031476939 /nfs/dbraw/zinc/47/69/39/1031476939.db2.gz SZXUGQNMMPFRSP-AVGNSLFASA-N 1 0 324.446 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCS[C@H]1C ZINC000872082014 1031479378 /nfs/dbraw/zinc/47/93/78/1031479378.db2.gz NHLKTHZLHZKGOZ-OUJBWJOFSA-N 1 0 312.460 3.861 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000872087270 1031483264 /nfs/dbraw/zinc/48/32/64/1031483264.db2.gz HUVIOMNXLKEVOY-QWHCGFSZSA-N 1 0 324.446 3.784 20 5 DHBDRO CCC[C@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872092022 1031487565 /nfs/dbraw/zinc/48/75/65/1031487565.db2.gz MCZFCSHEGYXSLG-VXGBXAGGSA-N 1 0 312.435 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000872092526 1031490555 /nfs/dbraw/zinc/49/05/55/1031490555.db2.gz OMUMBTIBJHLIHH-AVPPRXQKSA-N 1 0 320.336 3.918 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCC(C)(C)COC)cc1[N+](=O)[O-] ZINC000872104665 1031492188 /nfs/dbraw/zinc/49/21/88/1031492188.db2.gz MLGHGZFEZBBREK-ZDUSSCGKSA-N 1 0 324.421 3.707 20 5 DHBDRO COCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000873077738 1031703219 /nfs/dbraw/zinc/70/32/19/1031703219.db2.gz DJAVDSOEJYIQBJ-UHFFFAOYSA-N 1 0 306.406 3.590 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000873105769 1031712094 /nfs/dbraw/zinc/71/20/94/1031712094.db2.gz AZKRQVZYGVMZOJ-MSOLQXFVSA-N 1 0 318.417 3.506 20 5 DHBDRO Cc1c(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)cccc1[N+](=O)[O-] ZINC000873133743 1031719508 /nfs/dbraw/zinc/71/95/08/1031719508.db2.gz JTVJRIXGPHXHSY-KBPBESRZSA-N 1 0 300.761 3.698 20 5 DHBDRO Cc1c(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)cccc1[N+](=O)[O-] ZINC000873133749 1031719564 /nfs/dbraw/zinc/71/95/64/1031719564.db2.gz JTVJRIXGPHXHSY-UONOGXRCSA-N 1 0 300.761 3.698 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](C)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000873131646 1031720927 /nfs/dbraw/zinc/72/09/27/1031720927.db2.gz SIZWRRPXLRCFGW-MLGOLLRUSA-N 1 0 312.369 3.905 20 5 DHBDRO Cc1c(C[NH2+]CC2([C@H]3CCCCO3)CCC2)cccc1[N+](=O)[O-] ZINC000873150828 1031727630 /nfs/dbraw/zinc/72/76/30/1031727630.db2.gz QSLWTNWXDQQCHZ-QGZVFWFLSA-N 1 0 318.417 3.732 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846103273 1031876381 /nfs/dbraw/zinc/87/63/81/1031876381.db2.gz VQNDEJOSAWHVPT-NSHDSACASA-N 1 0 303.189 3.658 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nccc2ccccc21 ZINC000561400945 1031881055 /nfs/dbraw/zinc/88/10/55/1031881055.db2.gz FKHFHJMPYKLHKE-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO C[C@H](Cc1cccnc1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000897966779 1031899249 /nfs/dbraw/zinc/89/92/49/1031899249.db2.gz GTCHVRTZBSAJCC-LSDHHAIUSA-N 1 0 313.401 3.532 20 5 DHBDRO CO[C@]1(C)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000361412768 1031914088 /nfs/dbraw/zinc/91/40/88/1031914088.db2.gz MPOABMJFPYXVSG-OAHLLOKOSA-N 1 0 312.797 3.639 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC12CCCC2 ZINC000898110864 1031950478 /nfs/dbraw/zinc/95/04/78/1031950478.db2.gz IAVJZXIMBWWQQK-YOEHRIQHSA-N 1 0 318.417 3.607 20 5 DHBDRO COC1(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCC1 ZINC000361508264 1031961884 /nfs/dbraw/zinc/96/18/84/1031961884.db2.gz KNQSKGPKNPTPNS-UHFFFAOYSA-N 1 0 304.390 3.518 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000136813737 1033314273 /nfs/dbraw/zinc/31/42/73/1033314273.db2.gz GYHBSXKKIMTWED-BZNIZROVSA-N 1 0 320.776 3.632 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000136940594 1033317139 /nfs/dbraw/zinc/31/71/39/1033317139.db2.gz WGJREWZSSFLUMJ-CVEARBPZSA-N 1 0 318.398 3.527 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cscn1 ZINC001172898749 1033435323 /nfs/dbraw/zinc/43/53/23/1033435323.db2.gz IYSKYKSWQQPUHK-FZMZJTMJSA-N 1 0 317.414 3.650 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccncc1 ZINC001172897339 1033435788 /nfs/dbraw/zinc/43/57/88/1033435788.db2.gz ZKDSXUPKAXGDRE-SUMWQHHRSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909569 1033482005 /nfs/dbraw/zinc/48/20/05/1033482005.db2.gz SOBDBTVHJPSZIK-IOASZLSFSA-N 1 0 302.418 3.866 20 5 DHBDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909570 1033482131 /nfs/dbraw/zinc/48/21/31/1033482131.db2.gz SOBDBTVHJPSZIK-RGFKIIKPSA-N 1 0 302.418 3.866 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)C(C)(C)C)c1F ZINC001173175142 1033580095 /nfs/dbraw/zinc/58/00/95/1033580095.db2.gz AKVSHEKCKLFFAU-MNOVXSKESA-N 1 0 312.385 3.698 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)c1F ZINC001173177359 1033581661 /nfs/dbraw/zinc/58/16/61/1033581661.db2.gz TUUYFCSNCWEHDI-FRRDWIJNSA-N 1 0 324.396 3.842 20 5 DHBDRO CCC1CC[NH+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173181353 1033581761 /nfs/dbraw/zinc/58/17/61/1033581761.db2.gz OYHPKSWDYLOTSD-GFCCVEGCSA-N 1 0 324.396 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCCCCC2)c1F ZINC001173181282 1033581812 /nfs/dbraw/zinc/58/18/12/1033581812.db2.gz NVDIQZNCDWHZHP-GFCCVEGCSA-N 1 0 310.369 3.550 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CCCCC2)c1F ZINC001173175178 1033582011 /nfs/dbraw/zinc/58/20/11/1033582011.db2.gz LIBQKNVSDPVDMC-LBPRGKRZSA-N 1 0 324.396 3.843 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+](C(C)C)C(C)C)c1F ZINC001173186821 1033582829 /nfs/dbraw/zinc/58/28/29/1033582829.db2.gz VJFQYCPPDXPFKM-LBPRGKRZSA-N 1 0 312.385 3.792 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CC(C)(C)C)c1F ZINC001173190110 1033582969 /nfs/dbraw/zinc/58/29/69/1033582969.db2.gz QKKUNZBMKWDGBK-NSHDSACASA-N 1 0 312.385 3.651 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H](C)C[C@H]2C)c1F ZINC001173189892 1033583074 /nfs/dbraw/zinc/58/30/74/1033583074.db2.gz OICIJNPSJOJHKY-XQQFMLRXSA-N 1 0 324.396 3.794 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CC(C)(C)C2)c1F ZINC001173187350 1033584621 /nfs/dbraw/zinc/58/46/21/1033584621.db2.gz ZUSHZRKEGYVMEN-NSHDSACASA-N 1 0 324.396 3.699 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2ccoc2)c1F ZINC001173185663 1033585223 /nfs/dbraw/zinc/58/52/23/1033585223.db2.gz CGFXKSNLKHLSID-QWRGUYRKSA-N 1 0 322.336 3.617 20 5 DHBDRO CCC(CC)[N@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173195628 1033586925 /nfs/dbraw/zinc/58/69/25/1033586925.db2.gz HPFYWQSGYPKTKY-LLVKDONJSA-N 1 0 312.385 3.794 20 5 DHBDRO CC[C@@H]1CCCC[N@@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173195130 1033586994 /nfs/dbraw/zinc/58/69/94/1033586994.db2.gz CCZFYWMDPYDZFG-CHWSQXEVSA-N 1 0 324.396 3.938 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C[C@H]2CC2(C)C)c1F ZINC001173198383 1033589459 /nfs/dbraw/zinc/58/94/59/1033589459.db2.gz ZBTPQLBXHSNWLI-NWDGAFQWSA-N 1 0 324.396 3.651 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173197365 1033589995 /nfs/dbraw/zinc/58/99/95/1033589995.db2.gz UNLUWAYDNLZKMY-QWHCGFSZSA-N 1 0 324.396 3.796 20 5 DHBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000478845582 1033593591 /nfs/dbraw/zinc/59/35/91/1033593591.db2.gz OGUKNMZUFQBGFE-PWSUYJOCSA-N 1 0 314.332 3.865 20 5 DHBDRO Cc1c(F)ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001173217893 1033596846 /nfs/dbraw/zinc/59/68/46/1033596846.db2.gz HGZMMSGICIPLFQ-NSHDSACASA-N 1 0 320.339 3.902 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)cc1F ZINC001173217442 1033598267 /nfs/dbraw/zinc/59/82/67/1033598267.db2.gz UVIHJPDTEDSWPX-NSHDSACASA-N 1 0 306.312 3.594 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001173223127 1033602283 /nfs/dbraw/zinc/60/22/83/1033602283.db2.gz YHJZPTRRBFUQLA-KYOSRNDESA-N 1 0 310.344 3.503 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)Cc1ccncc1 ZINC001173223209 1033603305 /nfs/dbraw/zinc/60/33/05/1033603305.db2.gz HACHSZVNJAJUMQ-CQSZACIVSA-N 1 0 313.401 3.532 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001173226622 1033604929 /nfs/dbraw/zinc/60/49/29/1033604929.db2.gz MWOPDRQJOKNQIQ-KSSFIOAISA-N 1 0 311.385 3.758 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2cnccc21 ZINC001173227518 1033606267 /nfs/dbraw/zinc/60/62/67/1033606267.db2.gz GPWIEMNRSKDWGL-SCLBCKFNSA-N 1 0 311.385 3.588 20 5 DHBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001173226858 1033606289 /nfs/dbraw/zinc/60/62/89/1033606289.db2.gz CHVFSZHVYBMUCW-KDOFPFPSSA-N 1 0 313.401 3.908 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc2ccccc12 ZINC001173209511 1033612355 /nfs/dbraw/zinc/61/23/55/1033612355.db2.gz CKZDYNPPKRIDFZ-AWEZNQCLSA-N 1 0 321.380 3.864 20 5 DHBDRO Cc1csc([C@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173212586 1033613446 /nfs/dbraw/zinc/61/34/46/1033613446.db2.gz BEOQZDUAHJDZAU-PWSUYJOCSA-N 1 0 305.403 3.642 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2ccc(C[NH3+])cc21 ZINC001173213259 1033615143 /nfs/dbraw/zinc/61/51/43/1033615143.db2.gz HJJIHXAVWLYSBA-ZDUSSCGKSA-N 1 0 309.369 3.812 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC001173214786 1033617087 /nfs/dbraw/zinc/61/70/87/1033617087.db2.gz QCVJGQGUOPSBOS-STQMWFEESA-N 1 0 300.358 3.582 20 5 DHBDRO CCCC[C@@H](C)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878632720 1033776563 /nfs/dbraw/zinc/77/65/63/1033776563.db2.gz MJNWWRLAPITFQN-GFCCVEGCSA-N 1 0 318.377 3.655 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000479550333 1033805043 /nfs/dbraw/zinc/80/50/43/1033805043.db2.gz BYNUAKMSJMOXPJ-KGLIPLIRSA-N 1 0 308.422 3.741 20 5 DHBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC(F)(F)C1 ZINC000862284609 1033810178 /nfs/dbraw/zinc/81/01/78/1033810178.db2.gz KQEPUPLMQQGNSJ-QMMMGPOBSA-N 1 0 304.724 3.772 20 5 DHBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000553830445 1033858844 /nfs/dbraw/zinc/85/88/44/1033858844.db2.gz BKNYKZVFJAHEOL-UHFFFAOYSA-N 1 0 321.421 3.600 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCN(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000480198333 1034122474 /nfs/dbraw/zinc/12/24/74/1034122474.db2.gz QEMCNGOYJHCBPN-OAHLLOKOSA-N 1 0 313.401 3.690 20 5 DHBDRO Cc1c(CNc2ccccc2CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000864025475 1034262672 /nfs/dbraw/zinc/26/26/72/1034262672.db2.gz RUMLKKGATOZHCY-UHFFFAOYSA-N 1 0 313.401 3.619 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000042098184 1034266286 /nfs/dbraw/zinc/26/62/86/1034266286.db2.gz YDFTYMSPFHIBMP-CQSZACIVSA-N 1 0 309.366 3.510 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C)([NH+]2CCC2)CC1 ZINC000880473589 1034344164 /nfs/dbraw/zinc/34/41/64/1034344164.db2.gz JPWMWFCQNNXYJD-OAHLLOKOSA-N 1 0 317.433 3.524 20 5 DHBDRO C[C@H]([NH2+]Cc1cc(=O)oc2ccc3ccccc3c12)[C@H]1CCCO1 ZINC000183180097 1034357025 /nfs/dbraw/zinc/35/70/25/1034357025.db2.gz XKHNRLMDVKQTPX-SUMWQHHRSA-N 1 0 323.392 3.603 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000480622291 1034359030 /nfs/dbraw/zinc/35/90/30/1034359030.db2.gz GFSOJXMNKBBDFV-DZKIICNBSA-N 1 0 319.449 3.817 20 5 DHBDRO C[C@H](C[NH+]1CCCCCC1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000480697435 1034410103 /nfs/dbraw/zinc/41/01/03/1034410103.db2.gz KURZHENCZGHMQX-HUUCEWRRSA-N 1 0 305.422 3.510 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000185566162 1034556825 /nfs/dbraw/zinc/55/68/25/1034556825.db2.gz AAEMPXZNSSCBPT-MRXNPFEDSA-N 1 0 304.321 3.680 20 5 DHBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc2n[nH]cc21 ZINC000600112708 1034746011 /nfs/dbraw/zinc/74/60/11/1034746011.db2.gz RMMZTXYGGAXUPR-UHFFFAOYSA-N 1 0 324.384 3.882 20 5 DHBDRO Cc1ccc([C@@H](C)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000481408209 1034819315 /nfs/dbraw/zinc/81/93/15/1034819315.db2.gz SYKSAXUBGDTDDN-OAHLLOKOSA-N 1 0 319.449 3.818 20 5 DHBDRO CCOCCC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193042143 1034828772 /nfs/dbraw/zinc/82/87/72/1034828772.db2.gz YYJDOKQEBQUHHM-QGZVFWFLSA-N 1 0 318.417 3.769 20 5 DHBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000481578600 1034890192 /nfs/dbraw/zinc/89/01/92/1034890192.db2.gz UVMNCBODKINXCG-QKPAOTATSA-N 1 0 319.449 3.612 20 5 DHBDRO CC(C)CC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000481709839 1034947439 /nfs/dbraw/zinc/94/74/39/1034947439.db2.gz ARBXOKZZJPYTFP-QGZVFWFLSA-N 1 0 308.422 3.602 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000481722488 1034952425 /nfs/dbraw/zinc/95/24/25/1034952425.db2.gz ZVEJPTGKRPNVEG-RDJZCZTQSA-N 1 0 306.406 3.587 20 5 DHBDRO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000481756519 1034961426 /nfs/dbraw/zinc/96/14/26/1034961426.db2.gz NMVGVPINYXDSMP-GWCFXTLKSA-N 1 0 302.296 3.758 20 5 DHBDRO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000481756521 1034961479 /nfs/dbraw/zinc/96/14/79/1034961479.db2.gz NMVGVPINYXDSMP-MFKMUULPSA-N 1 0 302.296 3.758 20 5 DHBDRO CCCC[N@H+](CC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159414107 1035048885 /nfs/dbraw/zinc/04/88/85/1035048885.db2.gz SMYJGIGCGRPOIC-UHFFFAOYSA-N 1 0 315.211 3.979 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159614751 1035073894 /nfs/dbraw/zinc/07/38/94/1035073894.db2.gz NRHADEVAGQGZCS-ZDUSSCGKSA-N 1 0 319.449 3.863 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000159949265 1035119296 /nfs/dbraw/zinc/11/92/96/1035119296.db2.gz GJISMUITUJLLII-GDBMZVCRSA-N 1 0 306.406 3.983 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Cl)cc2F)cc1 ZINC000160791119 1035238923 /nfs/dbraw/zinc/23/89/23/1035238923.db2.gz HZAZYXQKIUQIKM-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(F)cc(Cl)c2)cc1 ZINC000160911472 1035270043 /nfs/dbraw/zinc/27/00/43/1035270043.db2.gz TVKLFYPRTAEKML-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000483725947 1035292073 /nfs/dbraw/zinc/29/20/73/1035292073.db2.gz IUKAIKMNOPPNMO-LBRJOISOSA-N 1 0 318.417 3.757 20 5 DHBDRO Cc1ncc(CC[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC001178244035 1035416030 /nfs/dbraw/zinc/41/60/30/1035416030.db2.gz HIZVJMHDWJXMQU-UHFFFAOYSA-N 1 0 319.430 3.815 20 5 DHBDRO Cc1c(C[NH2+]CC[C@@H]2CCC(C)(C)CO2)cccc1[N+](=O)[O-] ZINC001179685245 1035488883 /nfs/dbraw/zinc/48/88/83/1035488883.db2.gz IATCUNTZZFFLTC-HNNXBMFYSA-N 1 0 306.406 3.588 20 5 DHBDRO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001193743593 1035713248 /nfs/dbraw/zinc/71/32/48/1035713248.db2.gz QTJMDDUZPJXWLK-CRAIPNDOSA-N 1 0 320.433 3.664 20 5 DHBDRO CO[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000539513245 1035759652 /nfs/dbraw/zinc/75/96/52/1035759652.db2.gz RVWBLCRVHVHMCC-INIZCTEOSA-N 1 0 320.776 3.726 20 5 DHBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)[C@H]1OC ZINC001194093279 1035842877 /nfs/dbraw/zinc/84/28/77/1035842877.db2.gz UDSRESFVIYQPKY-HFBAOOFYSA-N 1 0 324.396 3.663 20 5 DHBDRO CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001194190998 1035870172 /nfs/dbraw/zinc/87/01/72/1035870172.db2.gz MXWIPGOONZEGEQ-CVEARBPZSA-N 1 0 324.396 3.807 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccnc3ccccc13)CC2 ZINC000539831001 1035889392 /nfs/dbraw/zinc/88/93/92/1035889392.db2.gz FARTWIWKWBQQNH-UHFFFAOYSA-N 1 0 319.364 3.701 20 5 DHBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC001194384236 1035916812 /nfs/dbraw/zinc/91/68/12/1035916812.db2.gz JTECZFDDJRODNC-LSDHHAIUSA-N 1 0 324.808 3.638 20 5 DHBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540221627 1036019786 /nfs/dbraw/zinc/01/97/86/1036019786.db2.gz VDHRJWWGIQZTJR-GXTWGEPZSA-N 1 0 320.414 3.657 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000152928520 1036065193 /nfs/dbraw/zinc/06/51/93/1036065193.db2.gz LWBCDQDFLBSMAW-QGZVFWFLSA-N 1 0 316.357 3.514 20 5 DHBDRO CN(Cc1scnc1C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000495070187 1036219700 /nfs/dbraw/zinc/21/97/00/1036219700.db2.gz NODJWNDUUWTZTF-UHFFFAOYSA-N 1 0 303.387 3.561 20 5 DHBDRO C[N+](C)(C)CCO[C@@H]1CCCc2c(Br)cccc21 ZINC001224773255 1036318328 /nfs/dbraw/zinc/31/83/28/1036318328.db2.gz HFEMFNIQAVQFJE-OAHLLOKOSA-N 1 0 313.259 3.549 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595786421 1036423121 /nfs/dbraw/zinc/42/31/21/1036423121.db2.gz ABWJJNLNMRRKSG-RKVPGOIHSA-N 1 0 318.417 3.937 20 5 DHBDRO C[C@@H]([NH2+]Cc1scnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000486928439 1036464994 /nfs/dbraw/zinc/46/49/94/1036464994.db2.gz VHMWRLJEIHWOQV-SNVBAGLBSA-N 1 0 303.387 3.780 20 5 DHBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000542053491 1036501147 /nfs/dbraw/zinc/50/11/47/1036501147.db2.gz URIMHSUVFAEPFD-NWANDNLSSA-N 1 0 304.390 3.614 20 5 DHBDRO CC1(C)CC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000193317079 1036501715 /nfs/dbraw/zinc/50/17/15/1036501715.db2.gz QCUUOUBGSIISJJ-GDBMZVCRSA-N 1 0 304.390 3.519 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000271936234 1036715171 /nfs/dbraw/zinc/71/51/71/1036715171.db2.gz OJBWRSZBJRHPTE-XEZPLFJOSA-N 1 0 322.405 3.602 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000271936232 1036716699 /nfs/dbraw/zinc/71/66/99/1036716699.db2.gz OJBWRSZBJRHPTE-HEHGZKQESA-N 1 0 322.405 3.602 20 5 DHBDRO COc1ccc(C[N@@H+]2CCSC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC001197295459 1036724248 /nfs/dbraw/zinc/72/42/48/1036724248.db2.gz GPUDSWVWCFEHES-OAHLLOKOSA-N 1 0 324.446 3.567 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000271961494 1036762123 /nfs/dbraw/zinc/76/21/23/1036762123.db2.gz DLYDBFAOMWHCIE-YSVLISHTSA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152128951 1036905912 /nfs/dbraw/zinc/90/59/12/1036905912.db2.gz BGTVFCSURPLKGH-NEPJUHHUSA-N 1 0 317.389 3.790 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@@H](C)C1 ZINC000488229283 1036912618 /nfs/dbraw/zinc/91/26/18/1036912618.db2.gz GWXDQKJFZOFCFT-ZDUSSCGKSA-N 1 0 324.446 3.567 20 5 DHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2c(F)cccc2[N+](=O)[O-])C1 ZINC001184865854 1036966506 /nfs/dbraw/zinc/96/65/06/1036966506.db2.gz YNJPBTMCAAJHAH-CHWSQXEVSA-N 1 0 309.385 3.514 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCS[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000492776606 1037005961 /nfs/dbraw/zinc/00/59/61/1037005961.db2.gz VANMEGXFQSNTSP-MRXNPFEDSA-N 1 0 324.446 3.567 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCS[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000492776605 1037006831 /nfs/dbraw/zinc/00/68/31/1037006831.db2.gz VANMEGXFQSNTSP-INIZCTEOSA-N 1 0 324.446 3.567 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000488442290 1037011162 /nfs/dbraw/zinc/01/11/62/1037011162.db2.gz UBPYEJAJUCMJIM-ZFWWWQNUSA-N 1 0 308.447 3.647 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000492829321 1037025628 /nfs/dbraw/zinc/02/56/28/1037025628.db2.gz KQNVNQMORGVHKH-JYJNAYRXSA-N 1 0 318.417 3.713 20 5 DHBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@]12CCC[C@H]1OCC2 ZINC001198790722 1037123151 /nfs/dbraw/zinc/12/31/51/1037123151.db2.gz MYQQKOGJBIXPAO-HZPDHXFCSA-N 1 0 324.808 3.639 20 5 DHBDRO C[C@@H]([NH2+]CCCCC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000282103112 1037238900 /nfs/dbraw/zinc/23/89/00/1037238900.db2.gz WEMYLUQXRDCOHR-CQSZACIVSA-N 1 0 306.406 3.842 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1ccccc1F ZINC000487680495 1037261360 /nfs/dbraw/zinc/26/13/60/1037261360.db2.gz UAWZJMNNFVNYOA-ZDUSSCGKSA-N 1 0 318.348 3.806 20 5 DHBDRO C[C@@H](Nc1ccsc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001186071113 1037300507 /nfs/dbraw/zinc/30/05/07/1037300507.db2.gz VMWJDWNEVSMWRH-NEPJUHHUSA-N 1 0 309.435 3.721 20 5 DHBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1(C)C ZINC000761527359 1037349702 /nfs/dbraw/zinc/34/97/02/1037349702.db2.gz SXGBWAOVNKCCAX-DZGCQCFKSA-N 1 0 312.797 3.541 20 5 DHBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761525337 1037350172 /nfs/dbraw/zinc/35/01/72/1037350172.db2.gz GUJNZIAEKRCRML-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO CCOc1cc(N[C@@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC001187035502 1037563571 /nfs/dbraw/zinc/56/35/71/1037563571.db2.gz YNMYXSOOSNTDDL-AWEZNQCLSA-N 1 0 321.421 3.526 20 5 DHBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001201221760 1037582524 /nfs/dbraw/zinc/58/25/24/1037582524.db2.gz GRPIYMSXFTXSGC-UHFFFAOYSA-N 1 0 313.357 3.640 20 5 DHBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000776174156 1037678705 /nfs/dbraw/zinc/67/87/05/1037678705.db2.gz BEBBMKZYANLXBV-NSHDSACASA-N 1 0 320.776 3.675 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c(F)c1 ZINC000490545006 1037731141 /nfs/dbraw/zinc/73/11/41/1037731141.db2.gz MWXTZXMKDKSYOO-INIZCTEOSA-N 1 0 322.380 3.658 20 5 DHBDRO C[C@@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000301147272 1037740500 /nfs/dbraw/zinc/74/05/00/1037740500.db2.gz HHAUZYNRPJDPSU-VIFPVBQESA-N 1 0 317.311 3.508 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000571392211 1038136000 /nfs/dbraw/zinc/13/60/00/1038136000.db2.gz OPDYJFBCCTVKAB-VRPLWUDZSA-N 1 0 322.408 3.844 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000588977868 1038414658 /nfs/dbraw/zinc/41/46/58/1038414658.db2.gz BKKNMMPKGNHAAP-HNNXBMFYSA-N 1 0 304.390 3.616 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000589199711 1038448843 /nfs/dbraw/zinc/44/88/43/1038448843.db2.gz YXBNLWWKZRHBPJ-OWWPPKJISA-N 1 0 306.365 3.536 20 5 DHBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000589326459 1038459186 /nfs/dbraw/zinc/45/91/86/1038459186.db2.gz STNYNSSCHQFERM-UHFFFAOYSA-N 1 0 306.406 3.590 20 5 DHBDRO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000589343989 1038462028 /nfs/dbraw/zinc/46/20/28/1038462028.db2.gz FDBOSUSZEWCRAA-HUUCEWRRSA-N 1 0 307.438 3.674 20 5 DHBDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000589515131 1038498238 /nfs/dbraw/zinc/49/82/38/1038498238.db2.gz DADBYUOSZHPTBC-DGCLKSJQSA-N 1 0 314.389 3.553 20 5 DHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H](c1ccccc1)[NH+](C)C ZINC000589598056 1038521453 /nfs/dbraw/zinc/52/14/53/1038521453.db2.gz KSWMRCDPLRCHGF-IAQYHMDHSA-N 1 0 305.403 3.760 20 5 DHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000589598055 1038521863 /nfs/dbraw/zinc/52/18/63/1038521863.db2.gz KSWMRCDPLRCHGF-ABAIWWIYSA-N 1 0 305.403 3.760 20 5 DHBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001191899510 1038564772 /nfs/dbraw/zinc/56/47/72/1038564772.db2.gz LFLSIMPTJGIVGF-CQSZACIVSA-N 1 0 321.377 3.904 20 5 DHBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC001192605862 1038683719 /nfs/dbraw/zinc/68/37/19/1038683719.db2.gz XQJPGHRDMLIRHS-CQSZACIVSA-N 1 0 310.442 3.540 20 5 DHBDRO COc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000598977893 1038973794 /nfs/dbraw/zinc/97/37/94/1038973794.db2.gz PSRGLOXQOGNVFN-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO Cc1cccnc1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573742685 1039068532 /nfs/dbraw/zinc/06/85/32/1039068532.db2.gz WTNBFPQYDUQWTL-QGZVFWFLSA-N 1 0 311.385 3.508 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000593714941 1039094467 /nfs/dbraw/zinc/09/44/67/1039094467.db2.gz CQAGBMIEPNOKIT-ACJLOTCBSA-N 1 0 318.417 3.759 20 5 DHBDRO CC[C@@H](C)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130655 1039123377 /nfs/dbraw/zinc/12/33/77/1039123377.db2.gz HPJHNYFFSDGBPR-DJIMGWMZSA-N 1 0 320.433 3.746 20 5 DHBDRO C[N@H+](CCC(C)(C)C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000592145211 1039137131 /nfs/dbraw/zinc/13/71/31/1039137131.db2.gz OKZJVBNXAACZEU-UHFFFAOYSA-N 1 0 318.377 3.513 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183968 1039172507 /nfs/dbraw/zinc/17/25/07/1039172507.db2.gz MQCNYCKYRDTVQG-CABCVRRESA-N 1 0 318.417 3.855 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1C ZINC000573985070 1039191635 /nfs/dbraw/zinc/19/16/35/1039191635.db2.gz MPOFCJAKOXCHFV-NXEZZACHSA-N 1 0 302.296 3.844 20 5 DHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccccc2[N+](=O)[O-])C1 ZINC000603860659 1039194400 /nfs/dbraw/zinc/19/44/00/1039194400.db2.gz OPZFRJIMWPAWMC-GJZGRUSLSA-N 1 0 305.422 3.765 20 5 DHBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000604012474 1039279204 /nfs/dbraw/zinc/27/92/04/1039279204.db2.gz GUROLKFSSFIJLL-UHFFFAOYSA-N 1 0 318.348 3.635 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593053776 1039378819 /nfs/dbraw/zinc/37/88/19/1039378819.db2.gz MGVLPUWRFBJBQZ-GOEBONIOSA-N 1 0 306.406 3.854 20 5 DHBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ccsc2[N+](=O)[O-])C1 ZINC000604433445 1039474650 /nfs/dbraw/zinc/47/46/50/1039474650.db2.gz BXQXWBKXFVHDDY-STQMWFEESA-N 1 0 311.451 3.826 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000604564836 1039499288 /nfs/dbraw/zinc/49/92/88/1039499288.db2.gz SNONVYSNYHKXIU-UHFFFAOYSA-N 1 0 300.333 3.903 20 5 DHBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000058932506 1039632963 /nfs/dbraw/zinc/63/29/63/1039632963.db2.gz SQCPZQAOGYXNPU-CYBMUJFWSA-N 1 0 318.348 3.806 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495004 1039797683 /nfs/dbraw/zinc/79/76/83/1039797683.db2.gz JYQAXCUTEKTAKI-YMTOWFKASA-N 1 0 301.346 3.538 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c(Cl)c1 ZINC000594509022 1039805893 /nfs/dbraw/zinc/80/58/93/1039805893.db2.gz GSWVWUUKXIAEEA-CVEARBPZSA-N 1 0 324.808 3.686 20 5 DHBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000168200951 1039806575 /nfs/dbraw/zinc/80/65/75/1039806575.db2.gz KRNBRSLHOXWLMQ-QWRGUYRKSA-N 1 0 303.362 3.920 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594511218 1039812210 /nfs/dbraw/zinc/81/22/10/1039812210.db2.gz RYFTUXKHAORGDX-AAXUHFPESA-N 1 0 316.401 3.545 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000594514700 1039821194 /nfs/dbraw/zinc/82/11/94/1039821194.db2.gz ZQOAUGOZZGINPY-AFAVFJNCSA-N 1 0 304.390 3.593 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000594973113 1039949475 /nfs/dbraw/zinc/94/94/75/1039949475.db2.gz MOMMQFRWFZYBHZ-QGZVFWFLSA-N 1 0 312.369 3.771 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026274 1039950947 /nfs/dbraw/zinc/95/09/47/1039950947.db2.gz HYUUKDDALPPGGR-DYVFJYSZSA-N 1 0 304.390 3.689 20 5 DHBDRO CC[C@H](C)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594965582 1039971697 /nfs/dbraw/zinc/97/16/97/1039971697.db2.gz ALYDNRUMYSCNFB-ZDUSSCGKSA-N 1 0 316.405 3.521 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOC1CCCC1 ZINC000595017935 1039980414 /nfs/dbraw/zinc/98/04/14/1039980414.db2.gz XVMKKFABHLZNDJ-ZDUSSCGKSA-N 1 0 322.405 3.603 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000595023489 1039987018 /nfs/dbraw/zinc/98/70/18/1039987018.db2.gz ZJJWQKUCJUHAEI-XHDPSFHLSA-N 1 0 310.419 3.540 20 5 DHBDRO CCSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000594986753 1040007839 /nfs/dbraw/zinc/00/78/39/1040007839.db2.gz IVYRQVLYXVNCCI-UHFFFAOYSA-N 1 0 300.811 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]2c2ccccc2)c(F)c1 ZINC000594993653 1040010415 /nfs/dbraw/zinc/01/04/15/1040010415.db2.gz FHCXLFFTBCJVBU-NVXWUHKLSA-N 1 0 300.333 3.770 20 5 DHBDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595005798 1040017642 /nfs/dbraw/zinc/01/76/42/1040017642.db2.gz GQAXZNYRDGZETG-CHWSQXEVSA-N 1 0 322.405 3.613 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000595055126 1040020862 /nfs/dbraw/zinc/02/08/62/1040020862.db2.gz SWJNHMBQVGECFL-QWRGUYRKSA-N 1 0 314.332 3.689 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000595042216 1040044733 /nfs/dbraw/zinc/04/47/33/1040044733.db2.gz QUBJWYHCDOUQAS-QWRGUYRKSA-N 1 0 314.332 3.689 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC(C)(C)C1 ZINC000595047944 1040051317 /nfs/dbraw/zinc/05/13/17/1040051317.db2.gz INUKWNZXWMJLDL-OLZOCXBDSA-N 1 0 324.446 3.623 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000595052524 1040054867 /nfs/dbraw/zinc/05/48/67/1040054867.db2.gz RLIVIOHNJNUSAZ-UWVGGRQHSA-N 1 0 320.311 3.843 20 5 DHBDRO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595102476 1040068240 /nfs/dbraw/zinc/06/82/40/1040068240.db2.gz INKCWYHGIWPJKC-DOPJRALCSA-N 1 0 314.385 3.758 20 5 DHBDRO C[C@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595079012 1040071860 /nfs/dbraw/zinc/07/18/60/1040071860.db2.gz BZDKFUMWJVUDIR-GOEBONIOSA-N 1 0 317.433 3.652 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCc2ccoc2)c2cc([N+](=O)[O-])ccc21 ZINC000595092484 1040078541 /nfs/dbraw/zinc/07/85/41/1040078541.db2.gz XQDOZAIJRQHRQE-INIZCTEOSA-N 1 0 300.358 3.743 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000595095273 1040081443 /nfs/dbraw/zinc/08/14/43/1040081443.db2.gz VITPTGGTHATUSV-ZANVPECISA-N 1 0 314.332 3.545 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595411421 1040130345 /nfs/dbraw/zinc/13/03/45/1040130345.db2.gz PLXCGLGZMMVGBZ-LBPRGKRZSA-N 1 0 318.348 3.983 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000595408164 1040130664 /nfs/dbraw/zinc/13/06/64/1040130664.db2.gz IKLOVKJMIACIEA-INIZCTEOSA-N 1 0 318.348 3.983 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000595535855 1040150274 /nfs/dbraw/zinc/15/02/74/1040150274.db2.gz ROHLKLOFUVGQCJ-UHFFFAOYSA-N 1 0 310.394 3.596 20 5 DHBDRO Cc1noc(C[N@@H+](C)[C@H]2CCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595539399 1040167998 /nfs/dbraw/zinc/16/79/98/1040167998.db2.gz LZIPYNLLYARWIT-GJZGRUSLSA-N 1 0 315.373 3.659 20 5 DHBDRO Cc1noc(C[N@@H+]2CC[C@@H](c3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000595544926 1040170107 /nfs/dbraw/zinc/17/01/07/1040170107.db2.gz BYOSKGPFJNLJHZ-AWEZNQCLSA-N 1 0 315.373 3.659 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595785288 1040251866 /nfs/dbraw/zinc/25/18/66/1040251866.db2.gz DACGJCBYMJMLSA-RHSMWYFYSA-N 1 0 322.380 3.515 20 5 DHBDRO Cc1cc(NC[C@H](c2ccsc2)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596074832 1040300164 /nfs/dbraw/zinc/30/01/64/1040300164.db2.gz HGLPNNJJYGINKH-GFCCVEGCSA-N 1 0 311.432 3.741 20 5 DHBDRO CCOc1cc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596306545 1040374735 /nfs/dbraw/zinc/37/47/35/1040374735.db2.gz FKSWKAKGNJNNEJ-ZDUSSCGKSA-N 1 0 321.421 3.526 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000596649142 1040539121 /nfs/dbraw/zinc/53/91/21/1040539121.db2.gz BNWPRBBCMVUYDJ-ZWKOTPCHSA-N 1 0 311.385 3.905 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491206186 1040642217 /nfs/dbraw/zinc/64/22/17/1040642217.db2.gz CVQJHEMCCKFEPH-AWEZNQCLSA-N 1 0 304.390 3.614 20 5 DHBDRO COc1ccc(C[N@H+](C)C[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000608976714 1040656397 /nfs/dbraw/zinc/65/63/97/1040656397.db2.gz JTBTYGKEEQSEKJ-AWEZNQCLSA-N 1 0 314.385 3.839 20 5 DHBDRO C[C@@H](C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000608976696 1040656727 /nfs/dbraw/zinc/65/67/27/1040656727.db2.gz IMBFYNLBKCNPOQ-HNNXBMFYSA-N 1 0 314.385 3.709 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000597224046 1040703135 /nfs/dbraw/zinc/70/31/35/1040703135.db2.gz CNHXEGLQNZRTQK-FUHWJXTLSA-N 1 0 318.417 3.684 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CNc3ccccc3C1)CCC2 ZINC000593319527 1040716695 /nfs/dbraw/zinc/71/66/95/1040716695.db2.gz MNGJVRYDKSIMTI-DNVCBOLYSA-N 1 0 323.396 3.599 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CNc3ccccc3C1)CCC2 ZINC000593319528 1040718157 /nfs/dbraw/zinc/71/81/57/1040718157.db2.gz MNGJVRYDKSIMTI-HNAYVOBHSA-N 1 0 323.396 3.599 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000534331861 1040805466 /nfs/dbraw/zinc/80/54/66/1040805466.db2.gz AZGVTRZSXPUFEC-MTIYJEKLSA-N 1 0 309.369 3.840 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)nc2c1 ZINC000602701471 1041167929 /nfs/dbraw/zinc/16/79/29/1041167929.db2.gz UMUZRBGIIUZHTA-UKRRQHHQSA-N 1 0 323.352 3.629 20 5 DHBDRO CCC(CC)[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cccs1 ZINC000602803682 1041224992 /nfs/dbraw/zinc/22/49/92/1041224992.db2.gz ZXFOIBRGPFQCAO-CQSZACIVSA-N 1 0 322.434 3.657 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602855937 1041266062 /nfs/dbraw/zinc/26/60/62/1041266062.db2.gz QOZJJFKJXZJMSE-AWEZNQCLSA-N 1 0 315.348 3.509 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cncc(Cl)c2)cc1[N+](=O)[O-] ZINC000598603310 1041351026 /nfs/dbraw/zinc/35/10/26/1041351026.db2.gz ZMYHGXLDMLLFQQ-LLVKDONJSA-N 1 0 305.765 3.802 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000193051033 335041449 /nfs/dbraw/zinc/04/14/49/335041449.db2.gz KTJNRWMMCPZPRN-GVDBMIGSSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)COC2 ZINC000271529712 129930231 /nfs/dbraw/zinc/93/02/31/129930231.db2.gz PJSDUXBTNJMVIN-ZDUSSCGKSA-N 1 0 312.369 3.518 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000271984663 129987383 /nfs/dbraw/zinc/98/73/83/129987383.db2.gz KLCINUZVOMHCEW-HZPDHXFCSA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000273321802 130106442 /nfs/dbraw/zinc/10/64/42/130106442.db2.gz ZKTYFYMAEJNGCI-QLFBSQMISA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000273321799 130106849 /nfs/dbraw/zinc/10/68/49/130106849.db2.gz ZKTYFYMAEJNGCI-ILXRZTDVSA-N 1 0 306.406 3.759 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000275638660 130354638 /nfs/dbraw/zinc/35/46/38/130354638.db2.gz RRARGTSEUWWGEW-QWHCGFSZSA-N 1 0 316.323 3.848 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000277223139 130591346 /nfs/dbraw/zinc/59/13/46/130591346.db2.gz XWAAJISSLGNKCG-FZMZJTMJSA-N 1 0 310.344 3.693 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000282150639 130903555 /nfs/dbraw/zinc/90/35/55/130903555.db2.gz SRKOCOCDJHTTMJ-XJKSGUPXSA-N 1 0 304.390 3.595 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284301313 131067216 /nfs/dbraw/zinc/06/72/16/131067216.db2.gz YPWYDDJLTVCXPQ-NEPJUHHUSA-N 1 0 315.373 3.597 20 5 DHBDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284301318 131067399 /nfs/dbraw/zinc/06/73/99/131067399.db2.gz YPWYDDJLTVCXPQ-NWDGAFQWSA-N 1 0 315.373 3.597 20 5 DHBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000285111675 131139773 /nfs/dbraw/zinc/13/97/73/131139773.db2.gz HZIRLXGQOXLRCM-QMMMGPOBSA-N 1 0 324.249 3.647 20 5 DHBDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000285569863 131182253 /nfs/dbraw/zinc/18/22/53/131182253.db2.gz UEPKRBYKPZUQJU-UHFFFAOYSA-N 1 0 303.362 3.533 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000289269838 131370452 /nfs/dbraw/zinc/37/04/52/131370452.db2.gz DYOCVTVPHWJNHC-KRWDZBQOSA-N 1 0 311.385 3.678 20 5 DHBDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297155566 132001989 /nfs/dbraw/zinc/00/19/89/132001989.db2.gz COCLMRTUZDDDQO-JQWIXIFHSA-N 1 0 320.311 3.603 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000297893082 132039114 /nfs/dbraw/zinc/03/91/14/132039114.db2.gz VQWZRNWIPZPLQJ-CYBMUJFWSA-N 1 0 306.387 3.906 20 5 DHBDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000120082026 132139119 /nfs/dbraw/zinc/13/91/19/132139119.db2.gz UBOGBKVBBBFQPK-CQSZACIVSA-N 1 0 314.385 3.714 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000120078549 132139303 /nfs/dbraw/zinc/13/93/03/132139303.db2.gz DIONHOVAZSBDNF-OAHLLOKOSA-N 1 0 315.329 3.744 20 5 DHBDRO CCC[C@@H](NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000320520121 335070599 /nfs/dbraw/zinc/07/05/99/335070599.db2.gz GOAZFTHRIIVYAF-GOSISDBHSA-N 1 0 319.449 3.900 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000172335101 332819884 /nfs/dbraw/zinc/81/98/84/332819884.db2.gz ZRVADTWZZXHCCX-KRWDZBQOSA-N 1 0 312.369 3.771 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000318545321 332902444 /nfs/dbraw/zinc/90/24/44/332902444.db2.gz JWQZAQYHHLZEKF-APHBMKBZSA-N 1 0 306.406 3.757 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000079724029 331682973 /nfs/dbraw/zinc/68/29/73/331682973.db2.gz DRKNLBCKAKMQAA-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000556924823 331754857 /nfs/dbraw/zinc/75/48/57/331754857.db2.gz MWXHTEBGDYHGKA-XOUADPBQSA-N 1 0 320.458 3.647 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000126038030 331992614 /nfs/dbraw/zinc/99/26/14/331992614.db2.gz TWQHBTMVOCIXFT-QWHCGFSZSA-N 1 0 316.323 3.848 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000126051415 331992739 /nfs/dbraw/zinc/99/27/39/331992739.db2.gz YKMBNCSLGHQQCG-GFCCVEGCSA-N 1 0 315.329 3.662 20 5 DHBDRO CCC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000426288233 332012733 /nfs/dbraw/zinc/01/27/33/332012733.db2.gz BKBZHWOWZHYUBY-QGZVFWFLSA-N 1 0 318.417 3.769 20 5 DHBDRO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000518450520 332047353 /nfs/dbraw/zinc/04/73/53/332047353.db2.gz IWUNGZILDSNCHG-MRXNPFEDSA-N 1 0 319.449 3.682 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC(=O)OC(C)(C)C ZINC000518461666 332054969 /nfs/dbraw/zinc/05/49/69/332054969.db2.gz GQARRWNTYFYNDV-ZDUSSCGKSA-N 1 0 322.405 3.676 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000448020062 332178596 /nfs/dbraw/zinc/17/85/96/332178596.db2.gz AGAUUPGHIUGBEN-IJEWVQPXSA-N 1 0 320.458 3.649 20 5 DHBDRO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000449463614 332237647 /nfs/dbraw/zinc/23/76/47/332237647.db2.gz WPTHBRPZDZPNJA-PWSUYJOCSA-N 1 0 302.296 3.758 20 5 DHBDRO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000559431935 332258541 /nfs/dbraw/zinc/25/85/41/332258541.db2.gz MHKLYXURHBLFSG-ZIAGYGMSSA-N 1 0 304.390 3.614 20 5 DHBDRO CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000564405326 332276423 /nfs/dbraw/zinc/27/64/23/332276423.db2.gz PTLSXYAFGJBWFX-AWEZNQCLSA-N 1 0 316.361 3.500 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1cscn1 ZINC000566689014 332534986 /nfs/dbraw/zinc/53/49/86/332534986.db2.gz HZSBRYRAIVJULJ-NWDGAFQWSA-N 1 0 305.403 3.723 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)cs2)c1 ZINC000569940502 332695481 /nfs/dbraw/zinc/69/54/81/332695481.db2.gz BPXMWMIGYPDBGD-FICVDOATSA-N 1 0 315.398 3.606 20 5 DHBDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173326946 333071816 /nfs/dbraw/zinc/07/18/16/333071816.db2.gz DHNPAQDSJSJDSM-ZDUSSCGKSA-N 1 0 315.373 3.628 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](CC(C)C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314060733 333085066 /nfs/dbraw/zinc/08/50/66/333085066.db2.gz AIGKPSLLIJXROF-IAGOWNOFSA-N 1 0 307.438 3.612 20 5 DHBDRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183033229 333182428 /nfs/dbraw/zinc/18/24/28/333182428.db2.gz DCJBHYVBRUTNEP-OLZOCXBDSA-N 1 0 317.389 3.817 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(F)c1 ZINC000319543956 333315321 /nfs/dbraw/zinc/31/53/21/333315321.db2.gz PTEZJTKKMHLWOH-UHFFFAOYSA-N 1 0 304.365 3.792 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000319717763 333399657 /nfs/dbraw/zinc/39/96/57/333399657.db2.gz ONZSTJSHSUDKHX-HNNXBMFYSA-N 1 0 304.390 3.566 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000531734838 333551271 /nfs/dbraw/zinc/55/12/71/333551271.db2.gz TWJZPHFRKAFJMP-JFOHDYCDSA-N 1 0 304.390 3.511 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2Cc3ccccc3C2)c(Cl)c1 ZINC000584344198 333805514 /nfs/dbraw/zinc/80/55/14/333805514.db2.gz UYOOOLOWYPYACY-UHFFFAOYSA-N 1 0 316.788 3.753 20 5 DHBDRO CCC(O)(CC)C(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571538044 333815525 /nfs/dbraw/zinc/81/55/25/333815525.db2.gz MYGLOORORIKODU-OAHLLOKOSA-N 1 0 320.433 3.749 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(C)o1 ZINC000414180880 333909655 /nfs/dbraw/zinc/90/96/55/333909655.db2.gz LYTGOYQZDCUQMV-GFCCVEGCSA-N 1 0 321.402 3.552 20 5 DHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430201448 333967308 /nfs/dbraw/zinc/96/73/08/333967308.db2.gz JPMADDVDMWXRFV-GOEBONIOSA-N 1 0 324.446 3.757 20 5 DHBDRO COCC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000272507120 334036291 /nfs/dbraw/zinc/03/62/91/334036291.db2.gz FNSGLRONQMBHCW-CJNGLKHVSA-N 1 0 318.373 3.925 20 5 DHBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414615995 334042163 /nfs/dbraw/zinc/04/21/63/334042163.db2.gz HKDUMGPGARODRC-MARXPDLDSA-N 1 0 316.361 3.584 20 5 DHBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279321289 334107699 /nfs/dbraw/zinc/10/76/99/334107699.db2.gz SJFCKGJJEBRTRQ-ABAIWWIYSA-N 1 0 301.346 3.528 20 5 DHBDRO Cc1ncsc1CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000295064374 334216546 /nfs/dbraw/zinc/21/65/46/334216546.db2.gz QNFTVQQEDJRFDE-GFCCVEGCSA-N 1 0 319.430 3.513 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCc3c[nH+]ccc32)nc1-c1ccccc1 ZINC000341262950 334426544 /nfs/dbraw/zinc/42/65/44/334426544.db2.gz RQIHHEXJUKSYGO-UHFFFAOYSA-N 1 0 318.336 3.746 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC000341983832 334497152 /nfs/dbraw/zinc/49/71/52/334497152.db2.gz CUTOLUJDZXHWGZ-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO CC[C@H]([NH2+]CCN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000342299058 334526343 /nfs/dbraw/zinc/52/63/43/334526343.db2.gz ZLNHJXAFLRPSGX-SFHVURJKSA-N 1 0 313.401 3.772 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(CCO)CCC1)CCCC2 ZINC000417308770 334704821 /nfs/dbraw/zinc/70/48/21/334704821.db2.gz IHZDGMDBFJVTQH-KRWDZBQOSA-N 1 0 318.417 3.505 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC12CC2 ZINC000417330106 334709190 /nfs/dbraw/zinc/70/91/90/334709190.db2.gz AGHUXUXDTJYWKO-NUEKZKHPSA-N 1 0 300.402 3.696 20 5 DHBDRO CSC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417332108 334709418 /nfs/dbraw/zinc/70/94/18/334709418.db2.gz NJHAGGXJTUZWGH-OAHLLOKOSA-N 1 0 306.431 3.848 20 5 DHBDRO CCc1nc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000343911083 335201455 /nfs/dbraw/zinc/20/14/55/335201455.db2.gz AHAAUCDLYYWWSX-NSHDSACASA-N 1 0 319.430 3.815 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc(-n2ccnc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000343984205 335205412 /nfs/dbraw/zinc/20/54/12/335205412.db2.gz ULRHTUGPKKHANN-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1OC ZINC000344099911 335212744 /nfs/dbraw/zinc/21/27/44/335212744.db2.gz ZGYDYGBAFPNJDJ-INIZCTEOSA-N 1 0 314.385 3.887 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000344066279 335214572 /nfs/dbraw/zinc/21/45/72/335214572.db2.gz PRBZZRWXOFEAEY-QGZVFWFLSA-N 1 0 314.385 3.887 20 5 DHBDRO CO[C@H](CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000345483018 335328923 /nfs/dbraw/zinc/32/89/23/335328923.db2.gz KQFUHMYTOAZFEE-GXFFZTMASA-N 1 0 320.311 3.521 20 5 DHBDRO CCCC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000444684506 338482255 /nfs/dbraw/zinc/48/22/55/338482255.db2.gz KICMRTQXYXWXML-CQSZACIVSA-N 1 0 316.405 3.920 20 5 DHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)c1ccccc1 ZINC000444685593 338482581 /nfs/dbraw/zinc/48/25/81/338482581.db2.gz ANVFUZHDOXBYBQ-OLZOCXBDSA-N 1 0 324.384 3.753 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)c(F)c1 ZINC000350256877 335740197 /nfs/dbraw/zinc/74/01/97/335740197.db2.gz VOKQYFHHQTVMHV-UHFFFAOYSA-N 1 0 322.380 3.563 20 5 DHBDRO CC[C@@H]([NH2+]Cc1c(C)nn(CC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000532214290 335919423 /nfs/dbraw/zinc/91/94/23/335919423.db2.gz FBXXCFVWYQZVBJ-QGZVFWFLSA-N 1 0 316.405 3.669 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@](C)(O)CCC(C)C ZINC000532232502 335922546 /nfs/dbraw/zinc/92/25/46/335922546.db2.gz HFEYASVNWGLAQG-WMLDXEAASA-N 1 0 308.422 3.741 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000520663312 336003482 /nfs/dbraw/zinc/00/34/82/336003482.db2.gz DWDKSBDWWDKHGG-IUODEOHRSA-N 1 0 321.421 3.645 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000158893682 338511094 /nfs/dbraw/zinc/51/10/94/338511094.db2.gz AYYGPWJDUSAEKK-HNNXBMFYSA-N 1 0 302.761 3.505 20 5 DHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000445901966 338514921 /nfs/dbraw/zinc/51/49/21/338514921.db2.gz ASGIENUZDRJVOB-ZDUSSCGKSA-N 1 0 320.311 3.540 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2nccs2)CC1 ZINC000332457882 336172331 /nfs/dbraw/zinc/17/23/31/336172331.db2.gz OBVBEGFNMOUGQQ-GFCCVEGCSA-N 1 0 317.414 3.992 20 5 DHBDRO C[C@@H](c1cccc(Cl)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332539977 336174231 /nfs/dbraw/zinc/17/42/31/336174231.db2.gz XGAJLHMUYWPHIN-NSHDSACASA-N 1 0 317.776 3.763 20 5 DHBDRO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000351933485 336180895 /nfs/dbraw/zinc/18/08/95/336180895.db2.gz CVGBSBDLTSFFCK-GFCCVEGCSA-N 1 0 310.369 3.513 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000103471351 336241025 /nfs/dbraw/zinc/24/10/25/336241025.db2.gz DJSXPVPCIMUJLE-AWEZNQCLSA-N 1 0 300.333 3.723 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000192846533 336268518 /nfs/dbraw/zinc/26/85/18/336268518.db2.gz NGKQJCIICVKLCV-RHSMWYFYSA-N 1 0 305.422 3.510 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCO2)s1 ZINC000102419609 336287228 /nfs/dbraw/zinc/28/72/28/336287228.db2.gz UYQFATBTYXHKJF-GFCCVEGCSA-N 1 0 318.398 3.592 20 5 DHBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301091065 336289532 /nfs/dbraw/zinc/28/95/32/336289532.db2.gz LCDNJDAJLLQEOX-CYBMUJFWSA-N 1 0 309.385 3.658 20 5 DHBDRO Cc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000301460067 336308226 /nfs/dbraw/zinc/30/82/26/336308226.db2.gz YQZAKOAHAHSXPL-INIZCTEOSA-N 1 0 315.373 3.745 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000301514480 336311768 /nfs/dbraw/zinc/31/17/68/336311768.db2.gz CJCPFXKTWRGSEC-UHFFFAOYSA-N 1 0 321.396 3.943 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000301524795 336312324 /nfs/dbraw/zinc/31/23/24/336312324.db2.gz IJSMSHRUFCDZJJ-UHFFFAOYSA-N 1 0 307.369 3.553 20 5 DHBDRO CC[C@@H](C)[C@@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302186008 336352932 /nfs/dbraw/zinc/35/29/32/336352932.db2.gz PGYFXIPXPOMTCL-DIFFPNOSSA-N 1 0 317.389 3.660 20 5 DHBDRO Cc1ccc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000302824082 336370835 /nfs/dbraw/zinc/37/08/35/336370835.db2.gz LMHXOIKUNXEMFB-WMZOPIPTSA-N 1 0 311.385 3.761 20 5 DHBDRO CCC[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353038679 336386749 /nfs/dbraw/zinc/38/67/49/336386749.db2.gz LDZKFGKBGHKWOB-HNNXBMFYSA-N 1 0 322.405 3.757 20 5 DHBDRO CSCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000353067254 336392235 /nfs/dbraw/zinc/39/22/35/336392235.db2.gz XLBSWUJVJPYVLQ-UHFFFAOYSA-N 1 0 302.399 3.748 20 5 DHBDRO Cc1cc(NC[C@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000108097543 336392911 /nfs/dbraw/zinc/39/29/11/336392911.db2.gz QXVZVEYDFUAZQZ-QGZVFWFLSA-N 1 0 317.364 3.757 20 5 DHBDRO C[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCOC1 ZINC000357345214 336581837 /nfs/dbraw/zinc/58/18/37/336581837.db2.gz NSOMRPGOPGKNEF-KRWDZBQOSA-N 1 0 316.357 3.514 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000361000782 336731931 /nfs/dbraw/zinc/73/19/31/336731931.db2.gz ZVCSJSIHJVACHE-QGZVFWFLSA-N 1 0 312.369 3.510 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C2CC(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000368030340 336835955 /nfs/dbraw/zinc/83/59/55/336835955.db2.gz NCTAHCZAXLFOLX-JEYLPNPQSA-N 1 0 311.385 3.895 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(SC)CC2)cc1[N+](=O)[O-] ZINC000193820834 337080396 /nfs/dbraw/zinc/08/03/96/337080396.db2.gz GKTGGAIRNPSEEH-LLVKDONJSA-N 1 0 310.419 3.540 20 5 DHBDRO C[C@H](c1ccncc1)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179671428 337170993 /nfs/dbraw/zinc/17/09/93/337170993.db2.gz NNQLOPSGEPTZNG-LLVKDONJSA-N 1 0 305.765 3.836 20 5 DHBDRO CC(C)[NH2+]C1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000179834995 337172230 /nfs/dbraw/zinc/17/22/30/337172230.db2.gz KVZMUTYZFCDXQM-UHFFFAOYSA-N 1 0 319.449 3.681 20 5 DHBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182242041 337187672 /nfs/dbraw/zinc/18/76/72/337187672.db2.gz QUZYIYYMLUHLLJ-LBPRGKRZSA-N 1 0 300.811 3.576 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000582877415 337209672 /nfs/dbraw/zinc/20/96/72/337209672.db2.gz OBLWUTPFODPYFW-LLBKUYECSA-N 1 0 310.344 3.975 20 5 DHBDRO CC[C@H](O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000124371012 337404998 /nfs/dbraw/zinc/40/49/98/337404998.db2.gz FDOSFFPQJRFNEI-LBPRGKRZSA-N 1 0 320.414 3.574 20 5 DHBDRO C[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000527106162 337470477 /nfs/dbraw/zinc/47/04/77/337470477.db2.gz XSGFPMOQYFEVRX-CYBMUJFWSA-N 1 0 302.349 3.670 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000284165918 337573313 /nfs/dbraw/zinc/57/33/13/337573313.db2.gz QJKBKEMGOFOHAB-HNNXBMFYSA-N 1 0 315.329 3.744 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]3OCC[C@H]31)CCC2 ZINC000253354814 337600612 /nfs/dbraw/zinc/60/06/12/337600612.db2.gz MQJPASGFRNQEKP-HPBDAGMYSA-N 1 0 316.401 3.519 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000421856715 337650577 /nfs/dbraw/zinc/65/05/77/337650577.db2.gz NYUVAUBTTLTQNX-XIRDDKMYSA-N 1 0 306.406 3.983 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccncc1Cl ZINC000421832689 337651557 /nfs/dbraw/zinc/65/15/57/337651557.db2.gz HNXSNWHSFZDMOY-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000421873764 337657751 /nfs/dbraw/zinc/65/77/51/337657751.db2.gz HQWLANLBDSYREK-TZMCWYRMSA-N 1 0 306.431 3.779 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000122786490 337925421 /nfs/dbraw/zinc/92/54/21/337925421.db2.gz XHKUHZLIWVOMFN-UONOGXRCSA-N 1 0 314.385 3.972 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000537310349 337930445 /nfs/dbraw/zinc/93/04/45/337930445.db2.gz HQYQNHAJQOXKGS-VBHSOAQHSA-N 1 0 312.369 3.638 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+](C2CCCC2)CC1 ZINC000515319540 337985048 /nfs/dbraw/zinc/98/50/48/337985048.db2.gz ICYIZNYRQCXXSU-UHFFFAOYSA-N 1 0 307.369 3.553 20 5 DHBDRO COCC(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000426345288 338028134 /nfs/dbraw/zinc/02/81/34/338028134.db2.gz WXBKWZSAZVFIJJ-HNNXBMFYSA-N 1 0 306.406 3.579 20 5 DHBDRO COc1cc(C[NH+](C2CCC2)C2CCC2)c([N+](=O)[O-])cc1F ZINC000429172713 338072477 /nfs/dbraw/zinc/07/24/77/338072477.db2.gz KXGLKPVXVOULCJ-UHFFFAOYSA-N 1 0 308.353 3.650 20 5 DHBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000429293178 338076897 /nfs/dbraw/zinc/07/68/97/338076897.db2.gz JNTVQVFWHWPRQL-LLVKDONJSA-N 1 0 314.838 3.823 20 5 DHBDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000430081370 338095213 /nfs/dbraw/zinc/09/52/13/338095213.db2.gz AVTRVSZYDXCNND-MRXNPFEDSA-N 1 0 304.390 3.614 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1cccs1 ZINC000430213227 338101694 /nfs/dbraw/zinc/10/16/94/338101694.db2.gz SHNKSIYGAISERO-CYBMUJFWSA-N 1 0 306.387 3.906 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000432797273 338168325 /nfs/dbraw/zinc/16/83/25/338168325.db2.gz LCCGUARSYADVLA-ZDUSSCGKSA-N 1 0 304.390 3.758 20 5 DHBDRO CCC(CC)[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433115111 338182279 /nfs/dbraw/zinc/18/22/79/338182279.db2.gz HRDCGROEKXPNDV-IRXDYDNUSA-N 1 0 320.433 3.704 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCC2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433120140 338182284 /nfs/dbraw/zinc/18/22/84/338182284.db2.gz XTIKCLTYNWLDNG-QGZVFWFLSA-N 1 0 318.417 3.724 20 5 DHBDRO COCCCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433153179 338183181 /nfs/dbraw/zinc/18/31/81/338183181.db2.gz VCZVIRSGYATGIF-INIZCTEOSA-N 1 0 306.406 3.724 20 5 DHBDRO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433298406 338190165 /nfs/dbraw/zinc/19/01/65/338190165.db2.gz OOQKXUVVWMICHO-MLGOLLRUSA-N 1 0 320.433 3.704 20 5 DHBDRO CCCCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000434700196 338223627 /nfs/dbraw/zinc/22/36/27/338223627.db2.gz RPXREYCJIZCNAM-UHFFFAOYSA-N 1 0 321.421 3.742 20 5 DHBDRO CCC[N@H+](CC)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000434990573 338229233 /nfs/dbraw/zinc/22/92/33/338229233.db2.gz JLXZRKSJAVUWHZ-UHFFFAOYSA-N 1 0 305.403 3.950 20 5 DHBDRO CC(C)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000435066931 338231613 /nfs/dbraw/zinc/23/16/13/338231613.db2.gz XDWMOAKVIZGHPO-CYBMUJFWSA-N 1 0 317.389 3.994 20 5 DHBDRO CSc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000435738433 338247118 /nfs/dbraw/zinc/24/71/18/338247118.db2.gz APOOOWDHYCIVKB-UHFFFAOYSA-N 1 0 302.399 3.649 20 5 DHBDRO CC(C)C(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000437073089 338299248 /nfs/dbraw/zinc/29/92/48/338299248.db2.gz MYELRSZQQLQGAM-ZDUSSCGKSA-N 1 0 321.421 3.584 20 5 DHBDRO C[C@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)cc1 ZINC000438121194 338333295 /nfs/dbraw/zinc/33/32/95/338333295.db2.gz YAJCAHXARNPGKI-CYBMUJFWSA-N 1 0 314.360 3.896 20 5 DHBDRO CC1CCC(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447527649 338554063 /nfs/dbraw/zinc/55/40/63/338554063.db2.gz GWRIFUOGXFZNPP-FJBKBRRZSA-N 1 0 320.437 3.691 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000447532804 338554679 /nfs/dbraw/zinc/55/46/79/338554679.db2.gz VQESQLQOGBIBIS-ZWKOTPCHSA-N 1 0 318.417 3.767 20 5 DHBDRO CO[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000447559864 338556693 /nfs/dbraw/zinc/55/66/93/338556693.db2.gz BIKFYUFYSBWSNI-JKSUJKDBSA-N 1 0 306.406 3.623 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(O)c1 ZINC000449131057 338595860 /nfs/dbraw/zinc/59/58/60/338595860.db2.gz JVPMVXQXDHQCPR-OLZOCXBDSA-N 1 0 300.358 3.582 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(O)c1 ZINC000449131059 338595875 /nfs/dbraw/zinc/59/58/75/338595875.db2.gz JVPMVXQXDHQCPR-STQMWFEESA-N 1 0 300.358 3.582 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000449159712 338597908 /nfs/dbraw/zinc/59/79/08/338597908.db2.gz IJXCTCHXXNLZEF-DGCLKSJQSA-N 1 0 305.403 3.723 20 5 DHBDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000449625018 338642524 /nfs/dbraw/zinc/64/25/24/338642524.db2.gz AMKPZRMZFFEQAI-YVEFUNNKSA-N 1 0 306.406 3.621 20 5 DHBDRO CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000453320985 338824429 /nfs/dbraw/zinc/82/44/29/338824429.db2.gz QGYAXGNRNCOJSV-GRDNDAEWSA-N 1 0 306.406 3.697 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000453395558 338837631 /nfs/dbraw/zinc/83/76/31/338837631.db2.gz XHTPJWFOBFNKCE-CYBMUJFWSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000453407570 338839645 /nfs/dbraw/zinc/83/96/45/338839645.db2.gz DNBZQPUDZPCMCV-GOSISDBHSA-N 1 0 313.401 3.972 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000459410978 339027733 /nfs/dbraw/zinc/02/77/33/339027733.db2.gz POHJJWFKVVLMTH-UHFFFAOYSA-N 1 0 304.777 3.623 20 5 DHBDRO CC[C@H]([NH2+]Cc1cnc(C2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000459430908 339028862 /nfs/dbraw/zinc/02/88/62/339028862.db2.gz RUHPIXJXIFDXLD-INIZCTEOSA-N 1 0 312.373 3.503 20 5 DHBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000459653301 339040697 /nfs/dbraw/zinc/04/06/97/339040697.db2.gz XVUGRIQXZHSQFI-AKAXFMLLSA-N 1 0 316.357 3.512 20 5 DHBDRO CO[C@@H]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459775165 339047800 /nfs/dbraw/zinc/04/78/00/339047800.db2.gz JJRDOXPUTVGOLQ-RKXUAZDKSA-N 1 0 316.401 3.545 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000462768148 339087602 /nfs/dbraw/zinc/08/76/02/339087602.db2.gz XMHICLYRNRIPOH-UHFFFAOYSA-N 1 0 320.339 3.986 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463195033 339108873 /nfs/dbraw/zinc/10/88/73/339108873.db2.gz UXEFMSXGIPIONL-HKUYNNGSSA-N 1 0 310.397 3.873 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000463482209 339119304 /nfs/dbraw/zinc/11/93/04/339119304.db2.gz AOGWGQSOLRMXLY-HNNXBMFYSA-N 1 0 322.380 3.897 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000464067270 339132857 /nfs/dbraw/zinc/13/28/57/339132857.db2.gz BROJWLGTBCLVGV-HZPDHXFCSA-N 1 0 306.406 3.585 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000464096393 339134380 /nfs/dbraw/zinc/13/43/80/339134380.db2.gz YWPMWDCRBHHLPI-HOTGVXAUSA-N 1 0 306.406 3.585 20 5 DHBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000464499011 339143579 /nfs/dbraw/zinc/14/35/79/339143579.db2.gz LRNNUIQHHPLEFE-NJZAAPMLSA-N 1 0 322.380 3.753 20 5 DHBDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468547714 339265862 /nfs/dbraw/zinc/26/58/62/339265862.db2.gz KKFOODLNFQVRCI-YJBOKZPZSA-N 1 0 322.449 3.693 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCOC(C)C ZINC000468612443 339267021 /nfs/dbraw/zinc/26/70/21/339267021.db2.gz QOMRXEPKQUMSSS-PTNGSMBKSA-N 1 0 306.406 3.793 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000468622273 339267278 /nfs/dbraw/zinc/26/72/78/339267278.db2.gz TYVMFDIFEBJDKM-QBLLMVIDSA-N 1 0 318.417 3.791 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000468622272 339267314 /nfs/dbraw/zinc/26/73/14/339267314.db2.gz TYVMFDIFEBJDKM-JDERRNKESA-N 1 0 318.417 3.791 20 5 DHBDRO CCc1cnc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000468643468 339267789 /nfs/dbraw/zinc/26/77/89/339267789.db2.gz ZHAZOLCHPHMPKB-GHXNOFRVSA-N 1 0 317.414 3.807 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccccc1F ZINC000468648567 339267992 /nfs/dbraw/zinc/26/79/92/339267992.db2.gz LLOKKTNTUWROPM-KAMYIIQDSA-N 1 0 314.360 3.970 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000468745951 339269735 /nfs/dbraw/zinc/26/97/35/339269735.db2.gz WZKPIXLSRWJCIK-SCOADAFUSA-N 1 0 316.401 3.689 20 5 DHBDRO C[NH2+]CCC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000469846057 339302538 /nfs/dbraw/zinc/30/25/38/339302538.db2.gz HBSYLRHJKNBVTM-UHFFFAOYSA-N 1 0 319.449 3.540 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000470184665 339313417 /nfs/dbraw/zinc/31/34/17/339313417.db2.gz SUFOFGUUVUGPAH-YHTSIIMFSA-N 1 0 318.417 3.745 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC2CCOCC2)c(Cl)c1 ZINC000470342360 339317797 /nfs/dbraw/zinc/31/77/97/339317797.db2.gz KKLRYKFTBNTVGQ-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470954778 339332598 /nfs/dbraw/zinc/33/25/98/339332598.db2.gz CCAYTKHMDBMQTM-SCVCMEIPSA-N 1 0 302.296 3.929 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CC2(C(F)F)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000479451616 339535653 /nfs/dbraw/zinc/53/56/53/339535653.db2.gz KCOGACFZMHVCHW-ZDUSSCGKSA-N 1 0 310.344 3.952 20 5 DHBDRO Cc1cc2[nH]c(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2c(C)c1 ZINC000479539901 339540049 /nfs/dbraw/zinc/54/00/49/339540049.db2.gz FNMUFWIBFJSNCR-UHFFFAOYSA-N 1 0 309.369 3.983 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000479585814 339542412 /nfs/dbraw/zinc/54/24/12/339542412.db2.gz BBQBSUDFGQXGOW-NVXWUHKLSA-N 1 0 306.406 3.587 20 5 DHBDRO C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000481041124 339593968 /nfs/dbraw/zinc/59/39/68/339593968.db2.gz TYFROHYFLMPMJW-OLZOCXBDSA-N 1 0 318.348 3.852 20 5 DHBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481186700 339597830 /nfs/dbraw/zinc/59/78/30/339597830.db2.gz IHHAMSPUIANXOE-COPLHBTASA-N 1 0 310.369 3.657 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000481722489 339611154 /nfs/dbraw/zinc/61/11/54/339611154.db2.gz ZVEJPTGKRPNVEG-WBVHZDCISA-N 1 0 306.406 3.587 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482249974 339627593 /nfs/dbraw/zinc/62/75/93/339627593.db2.gz PXCQMAVYCSWZMF-MSOLQXFVSA-N 1 0 320.433 3.967 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000483549096 339668717 /nfs/dbraw/zinc/66/87/17/339668717.db2.gz XKIRVDQZYPCJQJ-STQMWFEESA-N 1 0 318.348 3.852 20 5 DHBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000483873022 339677567 /nfs/dbraw/zinc/67/75/67/339677567.db2.gz SZHFRKGJWDBJTM-XGWLTEMNSA-N 1 0 306.406 3.757 20 5 DHBDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000483873019 339677649 /nfs/dbraw/zinc/67/76/49/339677649.db2.gz SZHFRKGJWDBJTM-ISTRZQFTSA-N 1 0 306.406 3.757 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1cccc2[nH]ccc21 ZINC000500488198 340060461 /nfs/dbraw/zinc/06/04/61/340060461.db2.gz XJOJCDVSWPQKIH-DAXSKMNVSA-N 1 0 321.380 3.922 20 5 DHBDRO Cc1ccc(C)c(OCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000501778296 340088559 /nfs/dbraw/zinc/08/85/59/340088559.db2.gz SPJFGIWWAXUYHS-UHFFFAOYSA-N 1 0 314.385 3.722 20 5 DHBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCCC1 ZINC000505363270 340167156 /nfs/dbraw/zinc/16/71/56/340167156.db2.gz ZMBPZDYYBZXWAX-UHFFFAOYSA-N 1 0 314.332 3.961 20 5 DHBDRO COc1cccc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000505642513 340174064 /nfs/dbraw/zinc/17/40/64/340174064.db2.gz WKDVWSCRYBZVCK-TWGQIWQCSA-N 1 0 312.369 3.749 20 5 DHBDRO CC(C)[NH+](CCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000505886127 340180702 /nfs/dbraw/zinc/18/07/02/340180702.db2.gz ZIWDCEZLYTUNGE-HNNXBMFYSA-N 1 0 307.438 3.706 20 5 DHBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000506761581 340201082 /nfs/dbraw/zinc/20/10/82/340201082.db2.gz ZTBLTRAMQOCVQZ-GQCTYLIASA-N 1 0 300.333 3.879 20 5 DHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000506960247 340204350 /nfs/dbraw/zinc/20/43/50/340204350.db2.gz AXTYBWNYULQLII-NFAWXSAZSA-N 1 0 321.396 3.576 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000507208012 340213467 /nfs/dbraw/zinc/21/34/67/340213467.db2.gz FNNYEGCACLXFNG-RYUDHWBXSA-N 1 0 310.357 3.883 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cs1 ZINC000507668108 340227742 /nfs/dbraw/zinc/22/77/42/340227742.db2.gz GNKSLJBKYWDIRK-AWEZNQCLSA-N 1 0 302.399 3.721 20 5 DHBDRO C[N@H+](CCOc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000302808212 340282516 /nfs/dbraw/zinc/28/25/16/340282516.db2.gz RAYWVFZGFIBKJN-UHFFFAOYSA-N 1 0 320.776 3.759 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2CCCF)cc1[N+](=O)[O-] ZINC000510700408 340307157 /nfs/dbraw/zinc/30/71/57/340307157.db2.gz JGHFZEVNGMMSQJ-KBPBESRZSA-N 1 0 310.369 3.611 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000511072700 340320068 /nfs/dbraw/zinc/32/00/68/340320068.db2.gz LTOPVZFZEVPCIM-UHFFFAOYSA-N 1 0 304.777 3.923 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc2ccccc2n1 ZINC000511092597 340320340 /nfs/dbraw/zinc/32/03/40/340320340.db2.gz BOBXIYIHWSPEMO-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000512164863 340350464 /nfs/dbraw/zinc/35/04/64/340350464.db2.gz NTPCGGDOYUIATD-GOSISDBHSA-N 1 0 316.401 3.796 20 5 DHBDRO C[C@@H]([NH2+]CCc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000173332386 340362598 /nfs/dbraw/zinc/36/25/98/340362598.db2.gz UWVDAXUWDYIZSB-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512844226 340380558 /nfs/dbraw/zinc/38/05/58/340380558.db2.gz MCBXRHZWJBREKE-VXGBXAGGSA-N 1 0 314.332 3.525 20 5 DHBDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513678176 340418927 /nfs/dbraw/zinc/41/89/27/340418927.db2.gz JDQBKKTVFKJTHN-LBPRGKRZSA-N 1 0 320.339 3.984 20 5 DHBDRO Cc1cc(C)c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1C ZINC000517582417 340472893 /nfs/dbraw/zinc/47/28/93/340472893.db2.gz SPHORIAGOUHUTP-UHFFFAOYSA-N 1 0 314.385 3.689 20 5 DHBDRO CC(C)CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193116713 340572584 /nfs/dbraw/zinc/57/25/84/340572584.db2.gz DJWMXWMIVFBPMB-UHFFFAOYSA-N 1 0 306.406 3.622 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000237531658 340671799 /nfs/dbraw/zinc/67/17/99/340671799.db2.gz RUIDEDGFWYGXCH-GFCCVEGCSA-N 1 0 302.349 3.763 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000537969546 340794445 /nfs/dbraw/zinc/79/44/45/340794445.db2.gz FKRYQSRUJGKPLW-AWEZNQCLSA-N 1 0 310.397 3.969 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000539062877 340869619 /nfs/dbraw/zinc/86/96/19/340869619.db2.gz IJDYOUAGBRHSPY-HDMKZQKVSA-N 1 0 320.433 3.885 20 5 DHBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000539553522 340890360 /nfs/dbraw/zinc/89/03/60/340890360.db2.gz AZBJMJHHWBEBCQ-WMLDXEAASA-N 1 0 306.406 3.623 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccco1 ZINC000129575447 340972284 /nfs/dbraw/zinc/97/22/84/340972284.db2.gz PBMIKUOUTIETLE-BBRMVZONSA-N 1 0 300.358 3.689 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1ccco1 ZINC000129575685 340972286 /nfs/dbraw/zinc/97/22/86/340972286.db2.gz PBMIKUOUTIETLE-CJNGLKHVSA-N 1 0 300.358 3.689 20 5 DHBDRO Cc1c([C@H](C)NCC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000542486475 341009763 /nfs/dbraw/zinc/00/97/63/341009763.db2.gz JWQQJNUQJDHETE-HOCLYGCPSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1c([C@H](C)NCC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000542486476 341009855 /nfs/dbraw/zinc/00/98/55/341009855.db2.gz JWQQJNUQJDHETE-ZBFHGGJFSA-N 1 0 319.449 3.818 20 5 DHBDRO CCCN(CC(=O)OC(C)(C)C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000542647022 341015539 /nfs/dbraw/zinc/01/55/39/341015539.db2.gz XWTDARXHHGZWTG-ZDUSSCGKSA-N 1 0 322.405 3.710 20 5 DHBDRO COC1CCC(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542683572 341017146 /nfs/dbraw/zinc/01/71/46/341017146.db2.gz PJHDYADZBIQSND-TUBUQKNSSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc([C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000543246192 341037835 /nfs/dbraw/zinc/03/78/35/341037835.db2.gz OKGWJKZIQCKPNA-HNNXBMFYSA-N 1 0 302.399 3.954 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000543627736 341051856 /nfs/dbraw/zinc/05/18/56/341051856.db2.gz XKGGVHVSUWWNBP-NWDGAFQWSA-N 1 0 305.403 3.814 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000543627737 341051860 /nfs/dbraw/zinc/05/18/60/341051860.db2.gz XKGGVHVSUWWNBP-RYUDHWBXSA-N 1 0 305.403 3.814 20 5 DHBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000544370806 341078689 /nfs/dbraw/zinc/07/86/89/341078689.db2.gz MOVWIRCCLQSWGZ-WFASDCNBSA-N 1 0 312.797 3.541 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000544611515 341088864 /nfs/dbraw/zinc/08/88/64/341088864.db2.gz FUYPFYBOVJYNKS-HZPDHXFCSA-N 1 0 306.431 3.763 20 5 DHBDRO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000546832269 341183372 /nfs/dbraw/zinc/18/33/72/341183372.db2.gz ZKXTZMFXCLTOSV-NSHDSACASA-N 1 0 303.362 3.604 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000077220962 341221028 /nfs/dbraw/zinc/22/10/28/341221028.db2.gz PNEOSXFTFGRWNC-UHFFFAOYSA-N 1 0 310.275 3.903 20 5 DHBDRO CC(C)n1cc([C@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000547971282 341241292 /nfs/dbraw/zinc/24/12/92/341241292.db2.gz CMYQLLMCYJXVET-NSHDSACASA-N 1 0 322.796 3.876 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000078704891 341246426 /nfs/dbraw/zinc/24/64/26/341246426.db2.gz HAIGAEUANZLLLG-UHFFFAOYSA-N 1 0 314.360 3.941 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000548394777 341258620 /nfs/dbraw/zinc/25/86/20/341258620.db2.gz FNXJFXRLSSWUSB-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245572474 341302914 /nfs/dbraw/zinc/30/29/14/341302914.db2.gz CKEAKOGEOUVQAA-AVGNSLFASA-N 1 0 322.405 3.600 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000550063121 341309224 /nfs/dbraw/zinc/30/92/24/341309224.db2.gz GGPUTEGRWGOJLK-YJBOKZPZSA-N 1 0 320.433 3.695 20 5 DHBDRO CCOc1cc(C[N@@H+]2CC[C@H](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000550409485 341316395 /nfs/dbraw/zinc/31/63/95/341316395.db2.gz JRMXUJLFNBCFLC-OAHLLOKOSA-N 1 0 304.390 3.616 20 5 DHBDRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000551228636 341334619 /nfs/dbraw/zinc/33/46/19/341334619.db2.gz KIWMYXBXCPTJTI-KGLIPLIRSA-N 1 0 322.453 3.937 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000246517737 341352103 /nfs/dbraw/zinc/35/21/03/341352103.db2.gz KRJQNNSXEDEOHA-GDZNZVCISA-N 1 0 312.369 3.810 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000246592786 341354119 /nfs/dbraw/zinc/35/41/19/341354119.db2.gz CTIKIVQXZQJJIB-VEFTVXKRSA-N 1 0 308.381 3.831 20 5 DHBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000248554794 341379700 /nfs/dbraw/zinc/37/97/00/341379700.db2.gz KDRJZVSMHXDODO-XYPHTWIQSA-N 1 0 306.406 3.839 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000555228827 341477865 /nfs/dbraw/zinc/47/78/65/341477865.db2.gz KJLHZRFVCSRQDS-HZMBPMFUSA-N 1 0 310.419 3.538 20 5 DHBDRO C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000305770899 341532655 /nfs/dbraw/zinc/53/26/55/341532655.db2.gz PFINHZGHDVANEI-JJRVBVJISA-N 1 0 306.406 3.577 20 5 DHBDRO COCC1(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000566222136 341551201 /nfs/dbraw/zinc/55/12/01/341551201.db2.gz YHEXJLNUDWXENS-KRWDZBQOSA-N 1 0 318.417 3.769 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000154233752 341586986 /nfs/dbraw/zinc/58/69/86/341586986.db2.gz GVOAFDRXJCMXET-WBMJQRKESA-N 1 0 324.446 3.930 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000268958156 341605883 /nfs/dbraw/zinc/60/58/83/341605883.db2.gz HGPBYWSQYMCLFP-OAHLLOKOSA-N 1 0 304.390 3.566 20 5 DHBDRO CC(C)[NH+](CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000155837655 341613811 /nfs/dbraw/zinc/61/38/11/341613811.db2.gz CTGAXLKVAPQYRG-HNNXBMFYSA-N 1 0 307.438 3.754 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000156947754 341629311 /nfs/dbraw/zinc/62/93/11/341629311.db2.gz IEXVTFXOCSZIJA-OAHLLOKOSA-N 1 0 314.385 3.771 20 5 DHBDRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000157935951 341648106 /nfs/dbraw/zinc/64/81/06/341648106.db2.gz NLXXRTHRFMUGOQ-NSHDSACASA-N 1 0 319.430 3.870 20 5 DHBDRO COCc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000569000253 341687819 /nfs/dbraw/zinc/68/78/19/341687819.db2.gz DZEVPKLUYCTJDH-KRWDZBQOSA-N 1 0 312.369 3.518 20 5 DHBDRO CC1(C)CCC[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000572791315 341704361 /nfs/dbraw/zinc/70/43/61/341704361.db2.gz NBOUUVARNLNFOL-CQSZACIVSA-N 1 0 320.437 3.645 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000574741549 341767529 /nfs/dbraw/zinc/76/75/29/341767529.db2.gz SRUNWSJNDKMESR-IFIJOSMWSA-N 1 0 304.390 3.519 20 5 DHBDRO CC[C@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000575348078 341794075 /nfs/dbraw/zinc/79/40/75/341794075.db2.gz RCKMPLVBSOFRDQ-GXFFZTMASA-N 1 0 302.296 3.892 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCCC1(F)F ZINC000577077558 341884088 /nfs/dbraw/zinc/88/40/88/341884088.db2.gz QMDGUIXTWAVRLU-BXUZGUMPSA-N 1 0 310.344 3.997 20 5 DHBDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000177578762 341921410 /nfs/dbraw/zinc/92/14/10/341921410.db2.gz FPANHJXOZXXFPD-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000178729175 341963082 /nfs/dbraw/zinc/96/30/82/341963082.db2.gz KHTXQLNXDPYVSV-XIKOKIGWSA-N 1 0 312.369 3.627 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)c(F)c1 ZINC000178733974 341963177 /nfs/dbraw/zinc/96/31/77/341963177.db2.gz BLXGGQWMMKPKRJ-SNVBAGLBSA-N 1 0 324.302 3.905 20 5 DHBDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000156698930 520375482 /nfs/dbraw/zinc/37/54/82/520375482.db2.gz IXEVDSCTYRRVQB-CYBMUJFWSA-N 1 0 315.373 3.629 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]2CCCO[C@@H]21 ZINC000266157091 520668463 /nfs/dbraw/zinc/66/84/63/520668463.db2.gz MIWDYIQTKYWOEF-YUELXQCFSA-N 1 0 324.808 3.541 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000188038127 521177054 /nfs/dbraw/zinc/17/70/54/521177054.db2.gz GPKFPLIIZILPFT-COXVUDFISA-N 1 0 306.406 3.577 20 5 DHBDRO CCOCCC1(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000181607858 521691345 /nfs/dbraw/zinc/69/13/45/521691345.db2.gz PEASOYJOLUXLKR-INIZCTEOSA-N 1 0 306.406 3.842 20 5 DHBDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000155010207 522243246 /nfs/dbraw/zinc/24/32/46/522243246.db2.gz GDNGWQADFGKTKC-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000157679862 522630481 /nfs/dbraw/zinc/63/04/81/522630481.db2.gz WODISNFGBDWEFN-IRXDYDNUSA-N 1 0 318.348 3.508 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161616946 522744276 /nfs/dbraw/zinc/74/42/76/522744276.db2.gz DTCMIALQZKLFBO-WBMJQRKESA-N 1 0 302.378 3.613 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000248881222 522752689 /nfs/dbraw/zinc/75/26/89/522752689.db2.gz KTJNRWMMCPZPRN-YESZJQIVSA-N 1 0 304.390 3.519 20 5 DHBDRO CC[C@@H]([NH2+]CCCCn1ccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000164673785 522826145 /nfs/dbraw/zinc/82/61/45/522826145.db2.gz QMTNIZJYSALNBX-QGZVFWFLSA-N 1 0 316.405 3.621 20 5 DHBDRO CO[C@@H](C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000338708378 523402180 /nfs/dbraw/zinc/40/21/80/523402180.db2.gz OQYWNPIZJGUVDP-LBPRGKRZSA-N 1 0 320.414 3.838 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178643022 524088924 /nfs/dbraw/zinc/08/89/24/524088924.db2.gz ZRPKQVLLNBSERV-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000157670015 524235624 /nfs/dbraw/zinc/23/56/24/524235624.db2.gz LEQLUQXXQOWVRF-GFCCVEGCSA-N 1 0 317.414 3.950 20 5 DHBDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000266753847 525409621 /nfs/dbraw/zinc/40/96/21/525409621.db2.gz DDYSXYZQQVLWED-ZBEGNZNMSA-N 1 0 320.776 3.632 20 5 DHBDRO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163214829 525431249 /nfs/dbraw/zinc/43/12/49/525431249.db2.gz ARKHNLDACXOUFJ-RDTXWAMCSA-N 1 0 314.385 3.596 20 5 DHBDRO C[C@@H]1[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000368813218 525546380 /nfs/dbraw/zinc/54/63/80/525546380.db2.gz DKIUEUSRTRNNTD-LBPRGKRZSA-N 1 0 324.808 3.639 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000267431662 525567366 /nfs/dbraw/zinc/56/73/66/525567366.db2.gz MQKXFGIEGXTMGB-GOEBONIOSA-N 1 0 311.385 3.524 20 5 DHBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000266990996 525576848 /nfs/dbraw/zinc/57/68/48/525576848.db2.gz CFHOLGKJURFQCW-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO CSCc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000189479664 525738994 /nfs/dbraw/zinc/73/89/94/525738994.db2.gz WIMJMUPMBQMLBT-UHFFFAOYSA-N 1 0 302.399 3.748 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000191266954 525918071 /nfs/dbraw/zinc/91/80/71/525918071.db2.gz CLNGDXYHCVWZAL-ZDUSSCGKSA-N 1 0 316.405 3.574 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000245534022 526090703 /nfs/dbraw/zinc/09/07/03/526090703.db2.gz VVNHUCHFPWARAM-GDBMZVCRSA-N 1 0 306.406 3.711 20 5 DHBDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000130493644 526826216 /nfs/dbraw/zinc/82/62/16/526826216.db2.gz XDXINPUIHZWUIM-NSHDSACASA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1nc2c(s1)CCC[C@H]2C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000366402772 527105660 /nfs/dbraw/zinc/10/56/60/527105660.db2.gz KFKDZFNPJPFHEA-NSHDSACASA-N 1 0 323.443 3.631 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000037563110 527330981 /nfs/dbraw/zinc/33/09/81/527330981.db2.gz MOCWAMHBADSFCI-ZJUUUORDSA-N 1 0 308.325 3.867 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc3ccccc3s2)cc1 ZINC000336849940 527351407 /nfs/dbraw/zinc/35/14/07/527351407.db2.gz KYJPBCWZIXKIEY-UHFFFAOYSA-N 1 0 313.382 3.537 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCc1ccccn1)CCC2 ZINC000193033550 527379560 /nfs/dbraw/zinc/37/95/60/527379560.db2.gz PXNKPBUZGKHBFQ-GOSISDBHSA-N 1 0 311.385 3.590 20 5 DHBDRO CC(C)(CO)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000289324157 535171907 /nfs/dbraw/zinc/17/19/07/535171907.db2.gz KHPQIZKEQJRYGT-HNNXBMFYSA-N 1 0 320.414 3.506 20 5 DHBDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000359870820 1013058881 /nfs/dbraw/zinc/05/88/81/1013058881.db2.gz JNMKSNPFHSXJLV-KBXCAEBGSA-N 1 0 311.385 3.615 20 5 DHBDRO CC[C@@H]1CCC[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000425996525 1013065206 /nfs/dbraw/zinc/06/52/06/1013065206.db2.gz QQHUZNBSENIXBN-HUUCEWRRSA-N 1 0 320.437 3.645 20 5 DHBDRO Cc1cccc(CCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000894388866 1013251443 /nfs/dbraw/zinc/25/14/43/1013251443.db2.gz JREOPBHBXJIDOQ-UHFFFAOYSA-N 1 0 319.792 3.674 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000340106996 1013303317 /nfs/dbraw/zinc/30/33/17/1013303317.db2.gz WKTJWPHCTHSPKD-MJICGBHWSA-N 1 0 309.369 3.744 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000247073095 1013339019 /nfs/dbraw/zinc/33/90/19/1013339019.db2.gz NDCTVGFQOSJLAY-CRNXPOROSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1ccc([C@@H]2CN([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000247124099 1013385705 /nfs/dbraw/zinc/38/57/05/1013385705.db2.gz WVICEZLQVRLVRJ-DYVFJYSZSA-N 1 0 316.357 3.631 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC001167255107 1013452902 /nfs/dbraw/zinc/45/29/02/1013452902.db2.gz CVMKXYRFTJUITO-MRXNPFEDSA-N 1 0 303.406 3.925 20 5 DHBDRO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000120851002 1013527682 /nfs/dbraw/zinc/52/76/82/1013527682.db2.gz FDXHONLZOWNVEW-UHFFFAOYSA-N 1 0 319.405 3.576 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000247216388 1013548210 /nfs/dbraw/zinc/54/82/10/1013548210.db2.gz WBQOHFSAMUOIJR-SIIHOXLZSA-N 1 0 317.433 3.651 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000519772399 1013600764 /nfs/dbraw/zinc/60/07/64/1013600764.db2.gz FOCDHDBVANYKBP-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO C[C@H]1c2ccsc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000052070781 1013796101 /nfs/dbraw/zinc/79/61/01/1013796101.db2.gz MXLVXTOKUOYIHE-LBPRGKRZSA-N 1 0 302.399 3.818 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000610341919 1013949444 /nfs/dbraw/zinc/94/94/44/1013949444.db2.gz JDFYZFSGJPDSIF-HUUCEWRRSA-N 1 0 311.385 3.524 20 5 DHBDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000610345676 1013956565 /nfs/dbraw/zinc/95/65/65/1013956565.db2.gz YIHUUKBRIBXPGR-ZFWWWQNUSA-N 1 0 308.422 3.605 20 5 DHBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000441487049 1014247245 /nfs/dbraw/zinc/24/72/45/1014247245.db2.gz OFCCKKHOHMFSIF-RBSFLKMASA-N 1 0 304.390 3.627 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOc1ccccc1F ZINC000050507867 1014353797 /nfs/dbraw/zinc/35/37/97/1014353797.db2.gz GIRPTLJNRUFBJU-ZDUSSCGKSA-N 1 0 318.348 3.806 20 5 DHBDRO CC[C@H](C)C[N@H+](CC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177846145 1014414930 /nfs/dbraw/zinc/41/49/30/1014414930.db2.gz CPDQITPGKUSDPX-LBPRGKRZSA-N 1 0 318.377 3.513 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000581380039 1014753443 /nfs/dbraw/zinc/75/34/43/1014753443.db2.gz GCAYJVXBHPIMCN-CABZTGNLSA-N 1 0 302.296 3.760 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])s1 ZINC000754670607 1014801373 /nfs/dbraw/zinc/80/13/73/1014801373.db2.gz WYPLFLPDMARIKO-GFCCVEGCSA-N 1 0 306.387 3.694 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3C3CCCC3)nc2c1 ZINC000610581216 1014862138 /nfs/dbraw/zinc/86/21/38/1014862138.db2.gz NONPHSWTVAHYJI-HNNXBMFYSA-N 1 0 315.373 3.891 20 5 DHBDRO C[C@H]1C[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC001204768327 1014967738 /nfs/dbraw/zinc/96/77/38/1014967738.db2.gz HYGPNKKVFPQCMG-UWVGGRQHSA-N 1 0 302.296 3.701 20 5 DHBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(OC)cc1 ZINC000522269158 1014992586 /nfs/dbraw/zinc/99/25/86/1014992586.db2.gz RQZGRYIEEMAUKX-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000389603073 1015070584 /nfs/dbraw/zinc/07/05/84/1015070584.db2.gz MJFHMEJQRIQGFI-INIZCTEOSA-N 1 0 304.390 3.566 20 5 DHBDRO C[C@@H]1CC(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000581676624 1015204590 /nfs/dbraw/zinc/20/45/90/1015204590.db2.gz CCHLPFDCHQGLNM-PBFPGSCMSA-N 1 0 318.417 3.765 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000895583628 1015210493 /nfs/dbraw/zinc/21/04/93/1015210493.db2.gz MISGIMWXPGNWIP-MFBWXBCUSA-N 1 0 315.398 3.554 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](CC)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000151692140 1015404208 /nfs/dbraw/zinc/40/42/08/1015404208.db2.gz FIDCHDICGOCJJP-DOTOQJQBSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1ccc(-c2csc([C@@H]3CCCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000053251664 1015547798 /nfs/dbraw/zinc/54/77/98/1015547798.db2.gz LSGVKTMNTOBKDM-LBPRGKRZSA-N 1 0 303.387 3.841 20 5 DHBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000474814294 1015616909 /nfs/dbraw/zinc/61/69/09/1015616909.db2.gz UMHCKXQDKOLHEZ-BPUTZDHNSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1ccccc1[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000341925457 1015850976 /nfs/dbraw/zinc/85/09/76/1015850976.db2.gz DOLBJSAYIONBEC-OAHLLOKOSA-N 1 0 316.405 3.514 20 5 DHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1 ZINC000065208713 1015971847 /nfs/dbraw/zinc/97/18/47/1015971847.db2.gz WTJJSGUKOHOQSL-UHFFFAOYSA-N 1 0 320.776 3.759 20 5 DHBDRO COc1ccc(CN[C@@H](C)c2nc(C)sc2C)cc1[N+](=O)[O-] ZINC000611012504 1016013979 /nfs/dbraw/zinc/01/39/79/1016013979.db2.gz RTAYWIQUTATJKO-VIFPVBQESA-N 1 0 321.402 3.528 20 5 DHBDRO C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000320290611 1016076553 /nfs/dbraw/zinc/07/65/53/1016076553.db2.gz YOUKQHJLCQKCGT-VKJFTORMSA-N 1 0 319.449 3.756 20 5 DHBDRO CSCCCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000185163301 1016672874 /nfs/dbraw/zinc/67/28/74/1016672874.db2.gz KTQNVBSGPIMHLX-UHFFFAOYSA-N 1 0 302.827 3.871 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000281742569 1016702849 /nfs/dbraw/zinc/70/28/49/1016702849.db2.gz RREQCVAFGLHJSJ-VIFPVBQESA-N 1 0 304.724 3.773 20 5 DHBDRO Cc1cnc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185304460 1016838474 /nfs/dbraw/zinc/83/84/74/1016838474.db2.gz ODMBYQKUXYEDGM-HNNXBMFYSA-N 1 0 317.414 3.643 20 5 DHBDRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840786517 1016995658 /nfs/dbraw/zinc/99/56/58/1016995658.db2.gz COEIELSQJPYMJX-YNZJMPHRSA-N 1 0 315.348 3.523 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000361980505 1032180469 /nfs/dbraw/zinc/18/04/69/1032180469.db2.gz KTNVMQCDPLEFKN-DOPJRALCSA-N 1 0 317.433 3.508 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001171286896 1032251930 /nfs/dbraw/zinc/25/19/30/1032251930.db2.gz MQCBJIOVLNVUQB-AAEUAGOBSA-N 1 0 310.369 3.657 20 5 DHBDRO CCSc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000187793400 1017280717 /nfs/dbraw/zinc/28/07/17/1017280717.db2.gz QNFSXZXCXQYTPL-LBPRGKRZSA-N 1 0 317.414 3.953 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccccc1F)C1CC1 ZINC000479851751 1017099454 /nfs/dbraw/zinc/09/94/54/1017099454.db2.gz NONCUKRCPUZDRU-KRWDZBQOSA-N 1 0 314.360 3.845 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000773132830 1032568953 /nfs/dbraw/zinc/56/89/53/1032568953.db2.gz WPUAYWSJTKLDDS-XEZPLFJOSA-N 1 0 306.406 3.839 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424353621 1011995733 /nfs/dbraw/zinc/99/57/33/1011995733.db2.gz PGCKNJKABLTLBL-RKOFLFEYSA-N 1 0 300.402 3.694 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)c1 ZINC000349035157 1012119195 /nfs/dbraw/zinc/11/91/95/1012119195.db2.gz GYDSZGRBQCMAHU-UHFFFAOYSA-N 1 0 312.369 3.713 20 5 DHBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCOC1 ZINC000120205883 1012218580 /nfs/dbraw/zinc/21/85/80/1012218580.db2.gz HJADMBSGQZNLSH-MRXNPFEDSA-N 1 0 318.398 3.592 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)c1ccccc1F ZINC000430210290 1012402892 /nfs/dbraw/zinc/40/28/92/1012402892.db2.gz CRJKUGUNDWGGBI-LBPRGKRZSA-N 1 0 318.348 3.936 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000430216819 1012455701 /nfs/dbraw/zinc/45/57/01/1012455701.db2.gz IFPJWAGULJXYGO-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000425386981 1012541166 /nfs/dbraw/zinc/54/11/66/1012541166.db2.gz SOTGADLPYLTFKX-UHFFFAOYSA-N 1 0 313.195 3.732 20 5 DHBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000608856170 1012591139 /nfs/dbraw/zinc/59/11/39/1012591139.db2.gz ZZJGVXVZFNHWSP-GFCCVEGCSA-N 1 0 309.385 3.656 20 5 DHBDRO Cc1nc2c(s1)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000123266028 1032641753 /nfs/dbraw/zinc/64/17/53/1032641753.db2.gz FMAUIQQMOKSICX-CQSZACIVSA-N 1 0 317.414 3.569 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000516998808 1012884871 /nfs/dbraw/zinc/88/48/71/1012884871.db2.gz BWMWRJGDSSZVDW-LJQANCHMSA-N 1 0 324.380 3.565 20 5 DHBDRO C[NH+](C)CC1(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000359280282 1012911067 /nfs/dbraw/zinc/91/10/67/1012911067.db2.gz BZFJSFIGDUVMJF-UHFFFAOYSA-N 1 0 317.311 3.510 20 5 DHBDRO COCCC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000479880810 1017111652 /nfs/dbraw/zinc/11/16/52/1017111652.db2.gz ARFIHNWZJILYNE-UHFFFAOYSA-N 1 0 320.433 3.980 20 5 DHBDRO COc1ccccc1CC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000075716791 1017324320 /nfs/dbraw/zinc/32/43/20/1017324320.db2.gz RNSPRZHETKNQOT-CQSZACIVSA-N 1 0 314.385 3.839 20 5 DHBDRO CCOCc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178643192 1017365792 /nfs/dbraw/zinc/36/57/92/1017365792.db2.gz AWJFBPVZGOCNJB-AWEZNQCLSA-N 1 0 314.385 3.982 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CS1 ZINC000840959324 1017560754 /nfs/dbraw/zinc/56/07/54/1017560754.db2.gz SDZIHUNHBWPZPE-GMSGAONNSA-N 1 0 321.229 3.885 20 5 DHBDRO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000178659809 1017568390 /nfs/dbraw/zinc/56/83/90/1017568390.db2.gz SDRJMCZYVVWSOP-CHWSQXEVSA-N 1 0 318.348 3.852 20 5 DHBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444609446 1017588489 /nfs/dbraw/zinc/58/84/89/1017588489.db2.gz NCQPGHHXESBWSV-VXGBXAGGSA-N 1 0 316.405 3.870 20 5 DHBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444685597 1017614304 /nfs/dbraw/zinc/61/43/04/1017614304.db2.gz ANVFUZHDOXBYBQ-STQMWFEESA-N 1 0 324.384 3.753 20 5 DHBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083198428 1017615435 /nfs/dbraw/zinc/61/54/35/1017615435.db2.gz FRWHYOIVWHMZJY-JMSVASOKSA-N 1 0 315.373 3.889 20 5 DHBDRO Cc1c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000444692708 1017634427 /nfs/dbraw/zinc/63/44/27/1017634427.db2.gz MSCRSEVTDKQINF-NSHDSACASA-N 1 0 302.296 3.678 20 5 DHBDRO Cc1cc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])ccc1F ZINC000444731594 1017646901 /nfs/dbraw/zinc/64/69/01/1017646901.db2.gz GTBYWJROIFXZHT-UHFFFAOYSA-N 1 0 318.348 3.553 20 5 DHBDRO Cc1nc(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cs1 ZINC000125637079 1032714283 /nfs/dbraw/zinc/71/42/83/1032714283.db2.gz QIYGCHHQFDAOGH-UHFFFAOYSA-N 1 0 317.414 3.567 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1CC[NH+](C2CC2)CC1 ZINC000444870951 1017711897 /nfs/dbraw/zinc/71/18/97/1017711897.db2.gz HYSUQOIPIGUXJJ-UHFFFAOYSA-N 1 0 323.824 3.843 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000178729968 1017896786 /nfs/dbraw/zinc/89/67/86/1017896786.db2.gz LQKIGLFKWHUFCI-KRWDZBQOSA-N 1 0 312.369 3.689 20 5 DHBDRO Cc1c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000525121246 1018175292 /nfs/dbraw/zinc/17/52/92/1018175292.db2.gz BWSVILHLAZGXNZ-QGZVFWFLSA-N 1 0 310.397 3.968 20 5 DHBDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446829938 1018262358 /nfs/dbraw/zinc/26/23/58/1018262358.db2.gz MXQVMPPLFHYSHK-OCCSQVGLSA-N 1 0 314.389 3.553 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCCCC1CCOCC1)C2 ZINC000525802695 1018379582 /nfs/dbraw/zinc/37/95/82/1018379582.db2.gz OYOYSTYCDGVWFF-UHFFFAOYSA-N 1 0 318.417 3.550 20 5 DHBDRO CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000764846088 1018402715 /nfs/dbraw/zinc/40/27/15/1018402715.db2.gz YDAKSNCLPPHNCC-UHFFFAOYSA-N 1 0 316.405 3.865 20 5 DHBDRO Cc1nc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000447540813 1018414211 /nfs/dbraw/zinc/41/42/11/1018414211.db2.gz KOGKKSHVZSFNIG-INIZCTEOSA-N 1 0 317.414 3.569 20 5 DHBDRO CC(C)C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000447542957 1018415261 /nfs/dbraw/zinc/41/52/61/1018415261.db2.gz QDDWSJNYCGZHPY-WMZOPIPTSA-N 1 0 319.449 3.538 20 5 DHBDRO C[C@H](Cc1ccncc1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447587307 1018430134 /nfs/dbraw/zinc/43/01/34/1018430134.db2.gz QVOCOYQCLKEQJY-ACJLOTCBSA-N 1 0 311.385 3.588 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(C)nc1 ZINC000526047048 1018447219 /nfs/dbraw/zinc/44/72/19/1018447219.db2.gz FIEGVFXXOZWKMW-UVTDQMKNSA-N 1 0 311.385 3.534 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340446867 1018636881 /nfs/dbraw/zinc/63/68/81/1018636881.db2.gz PXNDFSZDQSYIGN-LRDDRELGSA-N 1 0 315.373 3.887 20 5 DHBDRO [NH3+]CC[C@H]1CN(c2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC001168548221 1018992132 /nfs/dbraw/zinc/99/21/32/1018992132.db2.gz FPZJHGOYAIAEDG-NSHDSACASA-N 1 0 317.776 3.832 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2c1cccc2F ZINC000584182484 1019003672 /nfs/dbraw/zinc/00/36/72/1019003672.db2.gz BTDSJQDBTBXOIB-IRXDYDNUSA-N 1 0 312.344 3.998 20 5 DHBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000318105893 1019006241 /nfs/dbraw/zinc/00/62/41/1019006241.db2.gz JIWKJBZSDPUOLV-UHFFFAOYSA-N 1 0 317.311 3.510 20 5 DHBDRO Cc1ccoc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130737310 1019067237 /nfs/dbraw/zinc/06/72/37/1019067237.db2.gz XAZXXSASPDDHAN-UHFFFAOYSA-N 1 0 316.357 3.540 20 5 DHBDRO O=[N+]([O-])c1cc(F)c(NCCCCC[NH+]2CCCC2)c(F)c1 ZINC000338759580 1019069625 /nfs/dbraw/zinc/06/96/25/1019069625.db2.gz VHDIHGLYZAMJEJ-UHFFFAOYSA-N 1 0 313.348 3.551 20 5 DHBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCc2ccc(F)cc21 ZINC001171671215 1032826267 /nfs/dbraw/zinc/82/62/67/1032826267.db2.gz RTOQMNJKHPFZIT-ZDUSSCGKSA-N 1 0 314.360 3.896 20 5 DHBDRO CN(Cc1ccccc1[N+](=O)[O-])Cc1nccc2ccccc21 ZINC000611254756 1019421977 /nfs/dbraw/zinc/42/19/77/1019421977.db2.gz KBGDTSZCXFZURX-UHFFFAOYSA-N 1 0 307.353 3.775 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cccnc2)CC1 ZINC000611258916 1019424007 /nfs/dbraw/zinc/42/40/07/1019424007.db2.gz GDIMFESEVNEMLO-AWEZNQCLSA-N 1 0 311.385 3.930 20 5 DHBDRO CCC1(O)CCC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000611327457 1019446782 /nfs/dbraw/zinc/44/67/82/1019446782.db2.gz DJEGCBOVQCXPPU-NXVRBGIVSA-N 1 0 320.433 3.589 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336811 1019447847 /nfs/dbraw/zinc/44/78/47/1019447847.db2.gz MFECZPGXHCIIGK-BBRMVZONSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611411631 1019477397 /nfs/dbraw/zinc/47/73/97/1019477397.db2.gz GKXMLSGOKYZQPM-TZMCWYRMSA-N 1 0 317.414 3.904 20 5 DHBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000611442803 1019487187 /nfs/dbraw/zinc/48/71/87/1019487187.db2.gz CYMAWLHKNKEQEN-CYBMUJFWSA-N 1 0 324.384 3.604 20 5 DHBDRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000611555044 1019518464 /nfs/dbraw/zinc/51/84/64/1019518464.db2.gz KJEPFHNUOFOWTF-WCQYABFASA-N 1 0 316.323 3.800 20 5 DHBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001307602955 1019553975 /nfs/dbraw/zinc/55/39/75/1019553975.db2.gz KURWTCVEQKWFBM-CQSZACIVSA-N 1 0 306.406 3.862 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)cs1 ZINC000116922702 1019932706 /nfs/dbraw/zinc/93/27/06/1019932706.db2.gz GRCDZRJCYZRCCI-UHFFFAOYSA-N 1 0 319.361 3.609 20 5 DHBDRO CCC[C@H]([NH2+]Cc1cccnc1OC)c1cccc([N+](=O)[O-])c1 ZINC000124525422 1020192019 /nfs/dbraw/zinc/19/20/19/1020192019.db2.gz QTMAVBFCVXDSQY-INIZCTEOSA-N 1 0 315.373 3.629 20 5 DHBDRO C[C@H](Nc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000553184241 1020217456 /nfs/dbraw/zinc/21/74/56/1020217456.db2.gz ADWKBELWAFWDBU-STQMWFEESA-N 1 0 321.396 3.799 20 5 DHBDRO Cc1ccc([C@H](C)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000390942926 1020237084 /nfs/dbraw/zinc/23/70/84/1020237084.db2.gz KVYQQIFJPNHEHR-ZBFHGGJFSA-N 1 0 319.449 3.676 20 5 DHBDRO CC(C)[N@@H+]1CCCC[C@H]1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000330668888 1020237780 /nfs/dbraw/zinc/23/77/80/1020237780.db2.gz ZLTKNTIWGCAWHQ-CABCVRRESA-N 1 0 305.422 3.508 20 5 DHBDRO CC[NH+]1CCC(N(C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000125246143 1020281539 /nfs/dbraw/zinc/28/15/39/1020281539.db2.gz TZCFDCHIRLHNFH-UHFFFAOYSA-N 1 0 319.449 3.634 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000922837290 1020295854 /nfs/dbraw/zinc/29/58/54/1020295854.db2.gz SAHBSOHGDHHOKC-SKDRFNHKSA-N 1 0 300.811 3.622 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCS1 ZINC000922843113 1020298725 /nfs/dbraw/zinc/29/87/25/1020298725.db2.gz PMUGGMFBSUFOHW-ONGXEEELSA-N 1 0 300.811 3.622 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000922839787 1020302266 /nfs/dbraw/zinc/30/22/66/1020302266.db2.gz ZCUPQXCVBIELEU-MKGJVGOLSA-N 1 0 306.431 3.872 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCCc2cccnc21 ZINC000922878197 1020321094 /nfs/dbraw/zinc/32/10/94/1020321094.db2.gz SFMOOTJVAIJWIB-MRXNPFEDSA-N 1 0 311.385 3.774 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000179409382 1020341057 /nfs/dbraw/zinc/34/10/57/1020341057.db2.gz BKCSKFCVIMKELY-LLVKDONJSA-N 1 0 304.390 3.833 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000156936177 1020386342 /nfs/dbraw/zinc/38/63/42/1020386342.db2.gz BHXJLBDYBNYDPD-HNNXBMFYSA-N 1 0 314.385 3.771 20 5 DHBDRO COCCC1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000302105999 1020413900 /nfs/dbraw/zinc/41/39/00/1020413900.db2.gz XMUJOBODTUCAOZ-UHFFFAOYSA-N 1 0 315.373 3.680 20 5 DHBDRO CC(C)(C)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000179793831 1020448109 /nfs/dbraw/zinc/44/81/09/1020448109.db2.gz VLNVQHXTLRYEBH-INIZCTEOSA-N 1 0 316.405 3.558 20 5 DHBDRO CC(C)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000123145839 1020555767 /nfs/dbraw/zinc/55/57/67/1020555767.db2.gz IYKUAXFBNYISPO-SFHVURJKSA-N 1 0 313.401 3.909 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000153770321 1020572177 /nfs/dbraw/zinc/57/21/77/1020572177.db2.gz FCJIZHJQKLZKMY-QAPCUYQASA-N 1 0 317.433 3.652 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411714822 1020581856 /nfs/dbraw/zinc/58/18/56/1020581856.db2.gz AICJDFXDFNEYPQ-FUHWJXTLSA-N 1 0 314.360 3.764 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000236719221 1020638571 /nfs/dbraw/zinc/63/85/71/1020638571.db2.gz ILVHOGMXWDYMRH-UHFFFAOYSA-N 1 0 314.385 3.980 20 5 DHBDRO CCC(F)(F)C(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858513153 1032930016 /nfs/dbraw/zinc/93/00/16/1032930016.db2.gz JECMDFJWHXKJFO-JTQLQIEISA-N 1 0 315.364 3.899 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)cs1 ZINC000580128630 1020824106 /nfs/dbraw/zinc/82/41/06/1020824106.db2.gz POZXJLGDQLTYAR-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738052954 1020860306 /nfs/dbraw/zinc/86/03/06/1020860306.db2.gz FZALQAWPUPFYBG-CZUORRHYSA-N 1 0 316.405 3.803 20 5 DHBDRO Cc1ccnc([C@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581556931 1020890366 /nfs/dbraw/zinc/89/03/66/1020890366.db2.gz VXPUUJRAXBPUJW-ZBFHGGJFSA-N 1 0 311.385 3.849 20 5 DHBDRO C[C@H]1C[C@H](C)[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000740860734 1020955205 /nfs/dbraw/zinc/95/52/05/1020955205.db2.gz RJSVNIHYZCMGAE-UWVGGRQHSA-N 1 0 307.375 3.560 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000480667067 1020970389 /nfs/dbraw/zinc/97/03/89/1020970389.db2.gz QVDVADOSLSCJNQ-UWVGGRQHSA-N 1 0 320.311 3.843 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)[C@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414223981 1021009585 /nfs/dbraw/zinc/00/95/85/1021009585.db2.gz HCAMUBMQKJCQSM-DQYPLSBCSA-N 1 0 306.406 3.839 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000538267575 1021025843 /nfs/dbraw/zinc/02/58/43/1021025843.db2.gz PTYKQQXLNHAVJO-INIZCTEOSA-N 1 0 318.398 3.776 20 5 DHBDRO CC(C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)OCC1CC1 ZINC000414250533 1021032338 /nfs/dbraw/zinc/03/23/38/1021032338.db2.gz BGOKKBCOOYIQPG-KRWDZBQOSA-N 1 0 318.417 3.767 20 5 DHBDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000120131083 1021047507 /nfs/dbraw/zinc/04/75/07/1021047507.db2.gz FLKODTXAXYDKMI-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1Cl ZINC000742418216 1021118630 /nfs/dbraw/zinc/11/86/30/1021118630.db2.gz ABAPPEXZCZCEOR-GFCCVEGCSA-N 1 0 311.813 3.559 20 5 DHBDRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275855 1021217877 /nfs/dbraw/zinc/21/78/77/1021217877.db2.gz LRNWVZOWKPZRKU-GOSISDBHSA-N 1 0 314.385 3.539 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000776276445 1021219550 /nfs/dbraw/zinc/21/95/50/1021219550.db2.gz NCFKWNPMPLKTBD-HUUCEWRRSA-N 1 0 318.398 3.527 20 5 DHBDRO CCC1CCC([N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C2CC2)CC1 ZINC000917439531 1021261149 /nfs/dbraw/zinc/26/11/49/1021261149.db2.gz OTJHBLDPYKPSCY-UHFFFAOYSA-N 1 0 320.437 3.799 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H](c1ccsc1)[NH+](C)C ZINC000338913583 1021294567 /nfs/dbraw/zinc/29/45/67/1021294567.db2.gz WADMMUMDBKPAPI-CQSZACIVSA-N 1 0 305.403 3.680 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H](c1ccsc1)[NH+](C)C ZINC000338913582 1021295857 /nfs/dbraw/zinc/29/58/57/1021295857.db2.gz WADMMUMDBKPAPI-AWEZNQCLSA-N 1 0 305.403 3.680 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000537973035 1032969182 /nfs/dbraw/zinc/96/91/82/1032969182.db2.gz PFDYCQUCNIUMJB-AWEZNQCLSA-N 1 0 313.401 3.820 20 5 DHBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189121464 1021332544 /nfs/dbraw/zinc/33/25/44/1021332544.db2.gz DLAFPPVQENNGLD-RYUDHWBXSA-N 1 0 320.414 3.836 20 5 DHBDRO COc1ccc(F)cc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189201077 1021350234 /nfs/dbraw/zinc/35/02/34/1021350234.db2.gz GIAWJHJERJXIMJ-GQCTYLIASA-N 1 0 316.332 3.546 20 5 DHBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1(c2ccccc2)CC1 ZINC000189316714 1021357211 /nfs/dbraw/zinc/35/72/11/1021357211.db2.gz QNNNNOQMUFUCKS-UHFFFAOYSA-N 1 0 302.399 3.820 20 5 DHBDRO COc1cccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000158971658 1021712071 /nfs/dbraw/zinc/71/20/71/1021712071.db2.gz UWTPXULEYCUKCX-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO CCN(C)c1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746047557 1021831472 /nfs/dbraw/zinc/83/14/72/1021831472.db2.gz OWKIYNWZMBOIEM-AWEZNQCLSA-N 1 0 313.401 3.902 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](c2ccccc2)C2CC2)cs1 ZINC000556883752 1021918737 /nfs/dbraw/zinc/91/87/37/1021918737.db2.gz YDOGVMTXNHNRNA-OAHLLOKOSA-N 1 0 302.399 3.940 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O)c(F)c2)cc1[N+](=O)[O-] ZINC000153416748 1021957649 /nfs/dbraw/zinc/95/76/49/1021957649.db2.gz WBMJZRYMNYJBDO-LLVKDONJSA-N 1 0 304.321 3.599 20 5 DHBDRO CC[C@@H]([NH2+]CCOC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000930233911 1021971283 /nfs/dbraw/zinc/97/12/83/1021971283.db2.gz XMQKOYXQTQAYLH-MRXNPFEDSA-N 1 0 324.446 3.548 20 5 DHBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000919963877 1021991606 /nfs/dbraw/zinc/99/16/06/1021991606.db2.gz OHZCFXHLDGETQW-BETUJISGSA-N 1 0 309.385 3.514 20 5 DHBDRO Cc1noc(C[NH2+]C(C2CCCC2)C2CCCC2)c1[N+](=O)[O-] ZINC000851903364 1022035928 /nfs/dbraw/zinc/03/59/28/1022035928.db2.gz TVXMXEVGRBFPQX-UHFFFAOYSA-N 1 0 307.394 3.730 20 5 DHBDRO C[C@@H]([NH2+]CCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000195260782 1022042417 /nfs/dbraw/zinc/04/24/17/1022042417.db2.gz WYQLDNPZGQQSCL-CQSZACIVSA-N 1 0 300.358 3.715 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCCC(C)C)CC1 ZINC000183289321 1022084562 /nfs/dbraw/zinc/08/45/62/1022084562.db2.gz ALHJPVZMUAVDRT-UHFFFAOYSA-N 1 0 320.433 3.930 20 5 DHBDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584001 1022095497 /nfs/dbraw/zinc/09/54/97/1022095497.db2.gz ISTZGCKVMKWIDK-DOTOQJQBSA-N 1 0 320.433 3.776 20 5 DHBDRO CC(C)CC[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776587607 1022102980 /nfs/dbraw/zinc/10/29/80/1022102980.db2.gz XHCKMDUGYZMPJM-WBVHZDCISA-N 1 0 306.406 3.529 20 5 DHBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCC(C)(C)CC1 ZINC000776588841 1022115933 /nfs/dbraw/zinc/11/59/33/1022115933.db2.gz CJFUJVZRGWWUEB-INIZCTEOSA-N 1 0 306.406 3.529 20 5 DHBDRO CC1(C)CCC[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC001168847665 1022162165 /nfs/dbraw/zinc/16/21/65/1022162165.db2.gz FVFBEODMOOFGQT-KRWDZBQOSA-N 1 0 318.417 3.907 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccsc3)cc2)C1 ZINC001168984990 1022199895 /nfs/dbraw/zinc/19/98/95/1022199895.db2.gz RMHHKFWGSSHRQI-YOEHRIQHSA-N 1 0 316.426 3.950 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC001168968381 1022202800 /nfs/dbraw/zinc/20/28/00/1022202800.db2.gz YLEXYJDLCSUWIZ-DEYYWGMASA-N 1 0 302.418 3.661 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2Cl)C1 ZINC001168967915 1022203840 /nfs/dbraw/zinc/20/38/40/1022203840.db2.gz UOBAHPHQLQEKRC-GWCFXTLKSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(-c3ccccc3)cc2)C1 ZINC001168967376 1022204016 /nfs/dbraw/zinc/20/40/16/1022204016.db2.gz PJMJDDSBGVYBBE-PXNSSMCTSA-N 1 0 324.424 3.931 20 5 DHBDRO Cc1cc(Cl)cc(Cl)c1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168973897 1022204990 /nfs/dbraw/zinc/20/49/90/1022204990.db2.gz PIGAXFUQNCKOIP-ZYHUDNBSSA-N 1 0 317.216 3.837 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c(Cl)cccc32)C1 ZINC001169002541 1022210285 /nfs/dbraw/zinc/21/02/85/1022210285.db2.gz KXBBKEMEERPEES-XHBSWPGZSA-N 1 0 308.809 3.752 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2)C1 ZINC001169006957 1022213472 /nfs/dbraw/zinc/21/34/72/1022213472.db2.gz ZVOLYMQKBSXPGV-BPQIPLTHSA-N 1 0 302.418 3.953 20 5 DHBDRO C[N@H+](Cc1c(Cl)cccc1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038560 1022221161 /nfs/dbraw/zinc/22/11/61/1022221161.db2.gz ZPIJDGDBNBZHMY-MNOVXSKESA-N 1 0 317.216 3.871 20 5 DHBDRO C[N@H+](Cc1c(Cl)cccc1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038563 1022221753 /nfs/dbraw/zinc/22/17/53/1022221753.db2.gz ZPIJDGDBNBZHMY-WDEREUQCSA-N 1 0 317.216 3.871 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Cc3ccc(F)cc3)CC2)C1 ZINC001169036626 1022222645 /nfs/dbraw/zinc/22/26/45/1022222645.db2.gz PIGNRKLZRDBBNH-FUHWJXTLSA-N 1 0 320.408 3.526 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2c3ccccc3cc2[C@@H]2CCC[NH2+]2)C1 ZINC001169024947 1022226959 /nfs/dbraw/zinc/22/69/59/1022226959.db2.gz ICDIPYHVPALMFV-BMFZPTHFSA-N 1 0 313.401 3.684 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2c3ccccc3cc2[C@@H]2CCC[NH2+]2)C1 ZINC001169024949 1022227594 /nfs/dbraw/zinc/22/75/94/1022227594.db2.gz ICDIPYHVPALMFV-KBMXLJTQSA-N 1 0 313.401 3.684 20 5 DHBDRO Cc1cccc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169145995 1022278345 /nfs/dbraw/zinc/27/83/45/1022278345.db2.gz QKQYOWIENHHOJV-CXAGYDPISA-N 1 0 305.422 3.859 20 5 DHBDRO Cc1c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC001169148954 1022280516 /nfs/dbraw/zinc/28/05/16/1022280516.db2.gz XCNLJRAUZKLDCF-DYVFJYSZSA-N 1 0 323.412 3.998 20 5 DHBDRO Cc1cc(C)c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000609466574 1022288545 /nfs/dbraw/zinc/28/85/45/1022288545.db2.gz NVWVLGAQHZIWSX-UHFFFAOYSA-N 1 0 314.385 3.689 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2ccsc2[N+](=O)[O-])c1 ZINC000609560535 1022301144 /nfs/dbraw/zinc/30/11/44/1022301144.db2.gz FCHDXGMUGAKBDZ-UHFFFAOYSA-N 1 0 305.403 3.720 20 5 DHBDRO C[C@@H]([NH3+])c1ccn(-c2nc3c(ccc4ccccc43)nc2Cl)n1 ZINC001169231989 1022315022 /nfs/dbraw/zinc/31/50/22/1022315022.db2.gz YFYCWOJVZZCNTI-SNVBAGLBSA-N 1 0 323.787 3.642 20 5 DHBDRO CC[C@H](COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000610010014 1022401153 /nfs/dbraw/zinc/40/11/53/1022401153.db2.gz PGHAIRVPKXWGHC-CYBMUJFWSA-N 1 0 320.414 3.838 20 5 DHBDRO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)C(C)C ZINC000128464020 1022405849 /nfs/dbraw/zinc/40/58/49/1022405849.db2.gz GUUNYQTWGAXBDD-LBPRGKRZSA-N 1 0 318.377 3.511 20 5 DHBDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000610137686 1022420379 /nfs/dbraw/zinc/42/03/79/1022420379.db2.gz ZIUPAOKKKMOESU-GOSISDBHSA-N 1 0 322.449 3.995 20 5 DHBDRO CS[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000776722152 1022431666 /nfs/dbraw/zinc/43/16/66/1022431666.db2.gz DKVFWODDNDCLNY-BZUAXINKSA-N 1 0 320.458 3.790 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000067913760 1022450466 /nfs/dbraw/zinc/45/04/66/1022450466.db2.gz WDSPXXCPLHMPMM-ZDUSSCGKSA-N 1 0 309.366 3.510 20 5 DHBDRO COCCOCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000067978295 1022468552 /nfs/dbraw/zinc/46/85/52/1022468552.db2.gz MDTLZYGCOBEAHA-UHFFFAOYSA-N 1 0 309.409 3.746 20 5 DHBDRO C[NH+](C)CCC(C)(C)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001169717501 1022518090 /nfs/dbraw/zinc/51/80/90/1022518090.db2.gz JITDDKKMGYEXJR-UHFFFAOYSA-N 1 0 319.327 3.756 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000538411295 1033059939 /nfs/dbraw/zinc/05/99/39/1033059939.db2.gz CLJHWMVGKCHEIF-UHFFFAOYSA-N 1 0 320.433 3.893 20 5 DHBDRO c1ccc2cc3c(cc2c1)ncnc3NCC12CC[NH+](CC1)CC2 ZINC001169795123 1022550023 /nfs/dbraw/zinc/55/00/23/1022550023.db2.gz HXKSVUNEWUXBBL-UHFFFAOYSA-N 1 0 318.424 3.681 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000616016682 1022624992 /nfs/dbraw/zinc/62/49/92/1022624992.db2.gz KEDHSVMBLBLJQA-STQMWFEESA-N 1 0 322.405 3.532 20 5 DHBDRO C[C@@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000417318398 1022672922 /nfs/dbraw/zinc/67/29/22/1022672922.db2.gz YTCQKJXDBAMATR-IRXDYDNUSA-N 1 0 304.390 3.521 20 5 DHBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417316736 1022673964 /nfs/dbraw/zinc/67/39/64/1022673964.db2.gz UUHNATIWVBJODG-LBTNJELSSA-N 1 0 318.417 3.767 20 5 DHBDRO CCC[C@H](CCO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314588 1022679157 /nfs/dbraw/zinc/67/91/57/1022679157.db2.gz RLNOTDZBZMPNLP-RDTXWAMCSA-N 1 0 320.433 3.751 20 5 DHBDRO CCC[C@@H](CCO)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314585 1022679192 /nfs/dbraw/zinc/67/91/92/1022679192.db2.gz RLNOTDZBZMPNLP-KBXCAEBGSA-N 1 0 320.433 3.751 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCO1)CCCC2 ZINC000417340492 1022686536 /nfs/dbraw/zinc/68/65/36/1022686536.db2.gz MLOYJIZWGONDKR-RDJZCZTQSA-N 1 0 304.390 3.521 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1COCc3ccccc31)CCC2 ZINC000417373962 1022708082 /nfs/dbraw/zinc/70/80/82/1022708082.db2.gz YPVIOSIALYUBOM-RTBURBONSA-N 1 0 324.380 3.833 20 5 DHBDRO CC(C)OCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000184153616 1022748288 /nfs/dbraw/zinc/74/82/88/1022748288.db2.gz QRVZQCNAIISJFJ-UHFFFAOYSA-N 1 0 320.414 3.838 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000856805733 1022870993 /nfs/dbraw/zinc/87/09/93/1022870993.db2.gz UKEPXAANTDOXIC-LLVKDONJSA-N 1 0 303.189 3.577 20 5 DHBDRO CC(C)(C)c1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000105448068 1022891490 /nfs/dbraw/zinc/89/14/90/1022891490.db2.gz JCLRAWGJNIPOBG-UHFFFAOYSA-N 1 0 319.430 3.681 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857061588 1022939858 /nfs/dbraw/zinc/93/98/58/1022939858.db2.gz BNVDAILAXHSEDN-CABZTGNLSA-N 1 0 315.200 3.756 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000743475258 1022983971 /nfs/dbraw/zinc/98/39/71/1022983971.db2.gz ZWHYRVOKJOOZPW-CHWSQXEVSA-N 1 0 312.369 3.942 20 5 DHBDRO Cc1ncc([C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000184664914 1023058340 /nfs/dbraw/zinc/05/83/40/1023058340.db2.gz KLAQPTRLKFOZLM-QMMMGPOBSA-N 1 0 311.794 3.864 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000387404703 1023105241 /nfs/dbraw/zinc/10/52/41/1023105241.db2.gz KEBLCLBZSQUAEZ-UONOGXRCSA-N 1 0 306.406 3.909 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC2(CCC[N@H+]2C)CC1 ZINC000770132358 1023280019 /nfs/dbraw/zinc/28/00/19/1023280019.db2.gz QZAPSZZTXFJSDW-UHFFFAOYSA-N 1 0 323.824 3.621 20 5 DHBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000770281772 1023289456 /nfs/dbraw/zinc/28/94/56/1023289456.db2.gz ADCYFHGBLUXXPR-VHSXEESVSA-N 1 0 313.195 3.588 20 5 DHBDRO CCC[C@H]([NH2+]CCc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000108942329 1023595984 /nfs/dbraw/zinc/59/59/84/1023595984.db2.gz PPRJPSBTPFFNTF-HNNXBMFYSA-N 1 0 305.403 3.725 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1F ZINC000788468098 1023889122 /nfs/dbraw/zinc/88/91/22/1023889122.db2.gz DPCUOBNXFNDZFW-INIZCTEOSA-N 1 0 314.360 3.941 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788481841 1023891513 /nfs/dbraw/zinc/89/15/13/1023891513.db2.gz JNMRUESFQDZGHO-CHWSQXEVSA-N 1 0 312.410 3.840 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499520 1023896386 /nfs/dbraw/zinc/89/63/86/1023896386.db2.gz VNNZOXPYNZJBJM-YVEFUNNKSA-N 1 0 311.385 3.905 20 5 DHBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000788534718 1023907566 /nfs/dbraw/zinc/90/75/66/1023907566.db2.gz IZMILYNRHWEIKE-BTYIYWSLSA-N 1 0 321.420 3.623 20 5 DHBDRO CC1(C)C[C@H]([NH2+]C2CCC(C)(O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000788585639 1023910614 /nfs/dbraw/zinc/91/06/14/1023910614.db2.gz SQKVUJWTFKRGKU-IBFVRDEOSA-N 1 0 318.417 3.600 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000788595426 1023911656 /nfs/dbraw/zinc/91/16/56/1023911656.db2.gz TYCPWRICZBOKCU-NEPJUHHUSA-N 1 0 317.364 3.770 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC=CO2)c2cc([N+](=O)[O-])ccc21 ZINC000788599781 1023911824 /nfs/dbraw/zinc/91/18/24/1023911824.db2.gz APFLFAVCFPMNLY-XJKSGUPXSA-N 1 0 302.374 3.600 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788606640 1023912139 /nfs/dbraw/zinc/91/21/39/1023912139.db2.gz KCFGUGCZWLQLGA-LLVKDONJSA-N 1 0 319.430 3.867 20 5 DHBDRO CCC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000876885408 1033175693 /nfs/dbraw/zinc/17/56/93/1033175693.db2.gz OXFQFVROPFSXJN-VMBOVVBDSA-N 1 0 314.389 3.626 20 5 DHBDRO CCO[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000194461600 1024004602 /nfs/dbraw/zinc/00/46/02/1024004602.db2.gz DYWUJJQJSJFOGX-AWEZNQCLSA-N 1 0 306.387 3.524 20 5 DHBDRO CCCCO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001170117698 1024156512 /nfs/dbraw/zinc/15/65/12/1024156512.db2.gz MGBNJTZMGVCIPH-HOTGVXAUSA-N 1 0 306.406 3.668 20 5 DHBDRO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531736557 1024288076 /nfs/dbraw/zinc/28/80/76/1024288076.db2.gz XLZFZRDSFYOFQA-RHSMWYFYSA-N 1 0 314.385 3.596 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000269725270 1024308365 /nfs/dbraw/zinc/30/83/65/1024308365.db2.gz VQUWWNGAYWBYRN-BZNIZROVSA-N 1 0 320.776 3.632 20 5 DHBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cnc1Cl ZINC000791000445 1024415738 /nfs/dbraw/zinc/41/57/38/1024415738.db2.gz WKPICJSOFZGYRN-UHFFFAOYSA-N 1 0 305.765 3.550 20 5 DHBDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000270737652 1024424186 /nfs/dbraw/zinc/42/41/86/1024424186.db2.gz SZDDQXUOMLJQOA-LLVKDONJSA-N 1 0 320.414 3.572 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1 ZINC000271197795 1024471132 /nfs/dbraw/zinc/47/11/32/1024471132.db2.gz YRHAGYWLZCVFRF-AWEZNQCLSA-N 1 0 317.414 3.650 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000453399607 1024498358 /nfs/dbraw/zinc/49/83/58/1024498358.db2.gz ANDZBAMWDFJFMB-UONOGXRCSA-N 1 0 306.406 3.759 20 5 DHBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453393636 1024510343 /nfs/dbraw/zinc/51/03/43/1024510343.db2.gz FLTODYGKUULKQL-GVDBMIGSSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC(F)(F)C1 ZINC000453420419 1024517623 /nfs/dbraw/zinc/51/76/23/1024517623.db2.gz LOCCKSCDCINNBK-LBPRGKRZSA-N 1 0 312.360 3.941 20 5 DHBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000271568230 1024541180 /nfs/dbraw/zinc/54/11/80/1024541180.db2.gz WTEDTKPQYZVVDM-BMIGLBTASA-N 1 0 324.377 3.661 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000271569362 1024542477 /nfs/dbraw/zinc/54/24/77/1024542477.db2.gz YYYVDVSFHYDZLO-NVGCLXPQSA-N 1 0 318.348 3.507 20 5 DHBDRO CCC(C)(C)OCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000453622578 1024557682 /nfs/dbraw/zinc/55/76/82/1024557682.db2.gz YHUQLEXJQIDMEB-SDNWHVSQSA-N 1 0 306.406 3.793 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)N1CCCCC1 ZINC000532188540 1024571725 /nfs/dbraw/zinc/57/17/25/1024571725.db2.gz LYONNYNYIDKFHY-OAHLLOKOSA-N 1 0 319.449 3.818 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000569973219 1024591495 /nfs/dbraw/zinc/59/14/95/1024591495.db2.gz AIZIGWPYFPKUKC-ZFWWWQNUSA-N 1 0 307.438 3.674 20 5 DHBDRO c1ccc2c(c1)nc(NCC[NH+]1CCSCC1)c1ccccc21 ZINC001167840129 1024638754 /nfs/dbraw/zinc/63/87/54/1024638754.db2.gz ZMXIIXPWAWBGFM-UHFFFAOYSA-N 1 0 323.465 3.849 20 5 DHBDRO Cc1c(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000109780994 1024696043 /nfs/dbraw/zinc/69/60/43/1024696043.db2.gz DXLWAMIYQBMCGH-ZDUSSCGKSA-N 1 0 300.358 3.802 20 5 DHBDRO CC1(C)C[C@H](NCc2nccs2)c2cc([N+](=O)[O-])ccc21 ZINC000279117713 1024739240 /nfs/dbraw/zinc/73/92/40/1024739240.db2.gz PSHKAOOBLGBIEO-ZDUSSCGKSA-N 1 0 303.387 3.564 20 5 DHBDRO CCCC1([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC001170323754 1024743612 /nfs/dbraw/zinc/74/36/12/1024743612.db2.gz MBYQWIITAVHEJV-CYBMUJFWSA-N 1 0 306.406 3.847 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170325817 1024743707 /nfs/dbraw/zinc/74/37/07/1024743707.db2.gz AGNSBVHXVIVWCD-AVGNSLFASA-N 1 0 306.406 3.559 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170326846 1024743718 /nfs/dbraw/zinc/74/37/18/1024743718.db2.gz OTJPVNRQPVFSKJ-GFCCVEGCSA-N 1 0 306.406 3.560 20 5 DHBDRO CCC1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170336189 1024746994 /nfs/dbraw/zinc/74/69/94/1024746994.db2.gz VPHHZNFILFXTIW-ZDUSSCGKSA-N 1 0 306.406 3.656 20 5 DHBDRO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279176954 1024774446 /nfs/dbraw/zinc/77/44/46/1024774446.db2.gz VGFXQKMCDVULGU-LRDDRELGSA-N 1 0 320.433 3.704 20 5 DHBDRO C[C@@H]([N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(C)(C)C ZINC000728897212 1024789926 /nfs/dbraw/zinc/78/99/26/1024789926.db2.gz LSNPBPAPCCUQJT-CYBMUJFWSA-N 1 0 316.405 3.782 20 5 DHBDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000350258940 1024800547 /nfs/dbraw/zinc/80/05/47/1024800547.db2.gz XLPFRBGVOHDWBU-NSHDSACASA-N 1 0 306.337 3.746 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000792880781 1024822684 /nfs/dbraw/zinc/82/26/84/1024822684.db2.gz VLYJHAJWVWROAW-SWLSCSKDSA-N 1 0 321.377 3.904 20 5 DHBDRO CCOc1ccccc1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353586113 1025144188 /nfs/dbraw/zinc/14/41/88/1025144188.db2.gz BVMBVDYQAXDASN-UHFFFAOYSA-N 1 0 312.369 3.552 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1cccs1)C1CC1 ZINC000135219728 1025194805 /nfs/dbraw/zinc/19/48/05/1025194805.db2.gz HFEFNJPSEKXVAT-UHFFFAOYSA-N 1 0 302.399 3.863 20 5 DHBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccc(Cl)nc1)C1CC1 ZINC000135228918 1025195723 /nfs/dbraw/zinc/19/57/23/1025195723.db2.gz MPUCKSAIIZFHRX-UHFFFAOYSA-N 1 0 317.776 3.808 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000178565081 1025216443 /nfs/dbraw/zinc/21/64/43/1025216443.db2.gz ATWTUZMFKJPCCL-QZTJIDSGSA-N 1 0 314.385 3.759 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000897458770 1025350358 /nfs/dbraw/zinc/35/03/58/1025350358.db2.gz DYZMLCWCJXEICI-KEYYUXOJSA-N 1 0 320.433 3.882 20 5 DHBDRO Cc1ccncc1CCC[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463043 1025365711 /nfs/dbraw/zinc/36/57/11/1025365711.db2.gz ALFHUJOMOFTGCI-OAHLLOKOSA-N 1 0 313.401 3.624 20 5 DHBDRO CC(C)c1ccc(C[N@H+](CC2CCC2)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000348355981 1025387700 /nfs/dbraw/zinc/38/77/00/1025387700.db2.gz NHCTUGLUTPHUCO-CQSZACIVSA-N 1 0 320.433 3.701 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)c1ccccc1[N+](=O)[O-] ZINC000897469217 1025395199 /nfs/dbraw/zinc/39/51/99/1025395199.db2.gz GKEUOQMQHHSDAD-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO Cc1ccc([C@H](C)[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000136947945 1025492965 /nfs/dbraw/zinc/49/29/65/1025492965.db2.gz CPRGEVVWYJMLHZ-KSSFIOAISA-N 1 0 314.385 3.630 20 5 DHBDRO CC(C)COC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000054324831 1025520190 /nfs/dbraw/zinc/52/01/90/1025520190.db2.gz MHBQOKQLJIPTPW-CQSZACIVSA-N 1 0 306.406 3.793 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOC2(CCC2)C1 ZINC000886343038 1025596529 /nfs/dbraw/zinc/59/65/29/1025596529.db2.gz OVWZUDUOHALKKN-MRXNPFEDSA-N 1 0 322.380 3.563 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000886344778 1025596867 /nfs/dbraw/zinc/59/68/67/1025596867.db2.gz LGBLYLASYDJCTN-QGZVFWFLSA-N 1 0 318.417 3.732 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC(c3ccccc3F)C2)cc1 ZINC000237810187 1025696219 /nfs/dbraw/zinc/69/62/19/1025696219.db2.gz TUSPICSNFQVMQX-UHFFFAOYSA-N 1 0 300.333 3.770 20 5 DHBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](CC)c1ccccc1 ZINC000355554441 1025765028 /nfs/dbraw/zinc/76/50/28/1025765028.db2.gz NHRWVWMJHIXYFF-HNNXBMFYSA-N 1 0 316.405 3.692 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222853 1025955224 /nfs/dbraw/zinc/95/52/24/1025955224.db2.gz KHIDMGCJGYIFTG-AWEZNQCLSA-N 1 0 304.390 3.548 20 5 DHBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000356274847 1026002176 /nfs/dbraw/zinc/00/21/76/1026002176.db2.gz RYMUGHXQOVMPLQ-SJCJKPOMSA-N 1 0 318.348 3.600 20 5 DHBDRO COC1(C[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000759999406 1026012044 /nfs/dbraw/zinc/01/20/44/1026012044.db2.gz KZEQTARXYMLQAF-NSHDSACASA-N 1 0 312.797 3.686 20 5 DHBDRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000089513497 1026056691 /nfs/dbraw/zinc/05/66/91/1026056691.db2.gz GVSAIOYMIXZYAK-CYBMUJFWSA-N 1 0 317.414 3.781 20 5 DHBDRO COC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000089668783 1026061262 /nfs/dbraw/zinc/06/12/62/1026061262.db2.gz RWPFGZCKISRIDB-CXAGYDPISA-N 1 0 300.358 3.633 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090918465 1026089861 /nfs/dbraw/zinc/08/98/61/1026089861.db2.gz XXCFKZYRDBKMLK-ZBEGNZNMSA-N 1 0 303.337 3.931 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(C4CC4)CCC3)co2)cc1 ZINC000887147226 1026104953 /nfs/dbraw/zinc/10/49/53/1026104953.db2.gz DETRCKMYTWVWKX-UHFFFAOYSA-N 1 0 313.357 3.672 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000807916150 1026146793 /nfs/dbraw/zinc/14/67/93/1026146793.db2.gz NPDZZZNURRYJMJ-CYBMUJFWSA-N 1 0 321.421 3.720 20 5 DHBDRO Cc1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)o1 ZINC000808451664 1026292375 /nfs/dbraw/zinc/29/23/75/1026292375.db2.gz VPUFKKFQEMRQTN-UHFFFAOYSA-N 1 0 313.357 3.618 20 5 DHBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1Br ZINC001225570190 1026639706 /nfs/dbraw/zinc/63/97/06/1026639706.db2.gz VRPBPOVGGKPBNO-VIFPVBQESA-N 1 0 307.639 3.576 20 5 DHBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987731 1026655977 /nfs/dbraw/zinc/65/59/77/1026655977.db2.gz KFDDYWPVMFZCKZ-AMIZOPFISA-N 1 0 319.188 3.559 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCOC(C)(C)C1 ZINC000810043440 1026667199 /nfs/dbraw/zinc/66/71/99/1026667199.db2.gz WEZPEWRBTQYRQE-CYBMUJFWSA-N 1 0 310.369 3.513 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000280754361 1026703139 /nfs/dbraw/zinc/70/31/39/1026703139.db2.gz BXVMZYFFZIYNJH-SWLSCSKDSA-N 1 0 324.371 3.941 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000421366203 1026965834 /nfs/dbraw/zinc/96/58/34/1026965834.db2.gz BYHKTQXVJVPQMJ-OAHLLOKOSA-N 1 0 318.417 3.598 20 5 DHBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000421376330 1026969941 /nfs/dbraw/zinc/96/99/41/1026969941.db2.gz GTSPHRQKELNCNL-HUUCEWRRSA-N 1 0 306.406 3.765 20 5 DHBDRO CCC(O)(CC)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811476817 1027017332 /nfs/dbraw/zinc/01/73/32/1027017332.db2.gz SHJPSNJDQQLWED-UHFFFAOYSA-N 1 0 321.204 3.542 20 5 DHBDRO Cc1c(NC(=O)CC[N@@H+](CC(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000063495999 1027026867 /nfs/dbraw/zinc/02/68/67/1027026867.db2.gz NKKCMNCKOYEUHF-UHFFFAOYSA-N 1 0 321.421 3.598 20 5 DHBDRO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000421853309 1027066375 /nfs/dbraw/zinc/06/63/75/1027066375.db2.gz IWUSPVDCXSFHDM-LESCRADOSA-N 1 0 318.417 3.910 20 5 DHBDRO C[C@@H](CC[NH+](C)C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228845146 1027129091 /nfs/dbraw/zinc/12/90/91/1027129091.db2.gz KFRQLVFZQBCXJU-QMMMGPOBSA-N 1 0 306.193 3.654 20 5 DHBDRO CC1(C)CN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000573368917 1027287060 /nfs/dbraw/zinc/28/70/60/1027287060.db2.gz KUNRUQJNOKIXTI-CABCVRRESA-N 1 0 324.808 3.638 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1COc3ccccc3C1)CCC2 ZINC000575081584 1027452253 /nfs/dbraw/zinc/45/22/53/1027452253.db2.gz FIAYCVMUSQDNLU-MAUKXSAKSA-N 1 0 324.380 3.566 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC000812877755 1027456573 /nfs/dbraw/zinc/45/65/73/1027456573.db2.gz GSQFSAPJTGVESA-DLBZAZTESA-N 1 0 318.417 3.721 20 5 DHBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CCC1CCCCC1 ZINC000362951511 1027461142 /nfs/dbraw/zinc/46/11/42/1027461142.db2.gz MUDVAZBFLGKZCB-HNNXBMFYSA-N 1 0 320.437 3.653 20 5 DHBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000932371987 1027466858 /nfs/dbraw/zinc/46/68/58/1027466858.db2.gz DOSJLZIYXKHTCX-SECBINFHSA-N 1 0 320.311 3.517 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000295897953 1027480472 /nfs/dbraw/zinc/48/04/72/1027480472.db2.gz IDJBKOXVBYAELQ-CQSZACIVSA-N 1 0 309.369 3.840 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000562714949 1027581665 /nfs/dbraw/zinc/58/16/65/1027581665.db2.gz MABYDKZWPOIEAG-XJKSGUPXSA-N 1 0 304.390 3.737 20 5 DHBDRO CC[N@H+](CCc1ccccn1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000778948347 1027629703 /nfs/dbraw/zinc/62/97/03/1027629703.db2.gz ZKNPUAMWAIPSOW-OAHLLOKOSA-N 1 0 313.401 3.924 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccccc1-c1ccncc1 ZINC000363520055 1027662033 /nfs/dbraw/zinc/66/20/33/1027662033.db2.gz NXXMBKAUCXASMA-UHFFFAOYSA-N 1 0 319.364 3.947 20 5 DHBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000576805948 1027662401 /nfs/dbraw/zinc/66/24/01/1027662401.db2.gz WNFJIWBVGOZDFW-NXEZZACHSA-N 1 0 302.296 3.844 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccccc2-c2ccncc2)c1 ZINC000363519823 1027663438 /nfs/dbraw/zinc/66/34/38/1027663438.db2.gz LJYDAWZUARFLKT-UHFFFAOYSA-N 1 0 319.364 3.947 20 5 DHBDRO COc1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000296607267 1027684807 /nfs/dbraw/zinc/68/48/07/1027684807.db2.gz WBNMMJJLCIMPIU-SNVBAGLBSA-N 1 0 321.764 3.503 20 5 DHBDRO C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000296753151 1027725169 /nfs/dbraw/zinc/72/51/69/1027725169.db2.gz PVDKVBMWOSYODR-ZBEGNZNMSA-N 1 0 320.776 3.632 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1C ZINC000933483861 1027741718 /nfs/dbraw/zinc/74/17/18/1027741718.db2.gz NUWBUSIPOSIDOF-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000933491877 1027744930 /nfs/dbraw/zinc/74/49/30/1027744930.db2.gz QHLNVZLBHLYFEO-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CCn1ccnc1[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000297056731 1027788494 /nfs/dbraw/zinc/78/84/94/1027788494.db2.gz VTSMXCZZRDQEOE-STQMWFEESA-N 1 0 302.378 3.531 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[C@H](F)C2)c1 ZINC000577869642 1027969417 /nfs/dbraw/zinc/96/94/17/1027969417.db2.gz VHSNSTBYRKANMP-QWRGUYRKSA-N 1 0 318.295 3.567 20 5 DHBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Oc1ccccc1 ZINC000578083233 1028043899 /nfs/dbraw/zinc/04/38/99/1028043899.db2.gz PWQLNOFVBFPJLV-GUYCJALGSA-N 1 0 312.369 3.639 20 5 DHBDRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000601266049 1028049522 /nfs/dbraw/zinc/04/95/22/1028049522.db2.gz ZVJGGGLQDAOSLU-KZULUSFZSA-N 1 0 312.369 3.942 20 5 DHBDRO CCCO[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000217005703 1028068196 /nfs/dbraw/zinc/06/81/96/1028068196.db2.gz KEEDMOIZCTYQEY-HNNXBMFYSA-N 1 0 310.369 3.515 20 5 DHBDRO C[C@@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000601305356 1028070060 /nfs/dbraw/zinc/07/00/60/1028070060.db2.gz WMNUITHHCFDBGK-PBHICJAKSA-N 1 0 318.417 3.985 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)CCC2 ZINC000601306101 1028072208 /nfs/dbraw/zinc/07/22/08/1028072208.db2.gz AKUKTVBDZDVVDG-JHJVBQTASA-N 1 0 300.280 3.513 20 5 DHBDRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578205631 1028088910 /nfs/dbraw/zinc/08/89/10/1028088910.db2.gz WEALAWVXDURPCC-ABAIWWIYSA-N 1 0 302.399 3.864 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1F ZINC000578651071 1028203948 /nfs/dbraw/zinc/20/39/48/1028203948.db2.gz BEJWFFNRCDTDPN-FRRDWIJNSA-N 1 0 312.410 3.946 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(C(F)(F)F)C1 ZINC000578693515 1028217565 /nfs/dbraw/zinc/21/75/65/1028217565.db2.gz IGFGZFZTBFSPEC-BJMVGYQFSA-N 1 0 314.307 3.929 20 5 DHBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001170769205 1028259395 /nfs/dbraw/zinc/25/93/95/1028259395.db2.gz NQOMFOJPUNTFGP-TZMCWYRMSA-N 1 0 306.406 3.947 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000368034167 1028283047 /nfs/dbraw/zinc/28/30/47/1028283047.db2.gz DWAHRPIBVDFPKU-ZDUSSCGKSA-N 1 0 314.389 3.567 20 5 DHBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449173944 1028415084 /nfs/dbraw/zinc/41/50/84/1028415084.db2.gz OORYPWMCKJDRIB-KYJSFNMBSA-N 1 0 320.433 3.567 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000449214737 1028456688 /nfs/dbraw/zinc/45/66/88/1028456688.db2.gz YZXZQKPCDJMDNT-UNEWFSDZSA-N 1 0 320.433 3.709 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815565000 1028545982 /nfs/dbraw/zinc/54/59/82/1028545982.db2.gz ZUAUFUITJSTCTH-WDEREUQCSA-N 1 0 305.403 3.959 20 5 DHBDRO C[C@H]([NH2+]CCOC1CCCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581674 1028553557 /nfs/dbraw/zinc/55/35/57/1028553557.db2.gz MHATUWYZUBZUGV-ZDUSSCGKSA-N 1 0 321.421 3.567 20 5 DHBDRO COC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000449346357 1028559369 /nfs/dbraw/zinc/55/93/69/1028559369.db2.gz MSMPIXHFWOOGJO-GXDHUFHOSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@H]([NH2+]Cc1coc2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593588 1028562699 /nfs/dbraw/zinc/56/26/99/1028562699.db2.gz QZYKZHLRNNJVBU-NSHDSACASA-N 1 0 311.341 3.774 20 5 DHBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1Cl ZINC000815616066 1028571950 /nfs/dbraw/zinc/57/19/50/1028571950.db2.gz FDTDGOFOXDZJCJ-NSHDSACASA-N 1 0 319.792 3.990 20 5 DHBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCC[C@H]1CC[NH2+]C1 ZINC000565299482 1028572701 /nfs/dbraw/zinc/57/27/01/1028572701.db2.gz ICMWDVNZAJGFFB-CQSZACIVSA-N 1 0 312.369 3.640 20 5 DHBDRO C[C@@H]([NH2+]C(C1CCC1)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815625519 1028577250 /nfs/dbraw/zinc/57/72/50/1028577250.db2.gz GCHNJBXUVOCEHZ-LLVKDONJSA-N 1 0 303.406 3.796 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCC1(F)F ZINC000449380063 1028601406 /nfs/dbraw/zinc/60/14/06/1028601406.db2.gz VCFRJNYTFWMGSK-GXTWGEPZSA-N 1 0 312.360 3.941 20 5 DHBDRO CC[C@@](C)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)OC ZINC000449480212 1028678897 /nfs/dbraw/zinc/67/88/97/1028678897.db2.gz XWDAAPYTRBYEFG-KRWDZBQOSA-N 1 0 318.373 3.760 20 5 DHBDRO Cc1noc(C)c1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449496226 1028709474 /nfs/dbraw/zinc/70/94/74/1028709474.db2.gz GEWIVPUEEDFBLG-HNNXBMFYSA-N 1 0 315.373 3.579 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000371636700 1028737556 /nfs/dbraw/zinc/73/75/56/1028737556.db2.gz DOALVGSIKNJYNP-YOEHRIQHSA-N 1 0 318.417 3.794 20 5 DHBDRO CCCc1ncc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)o1 ZINC000449610435 1028841935 /nfs/dbraw/zinc/84/19/35/1028841935.db2.gz GNSQLMDTKOZUAT-MDWZMJQESA-N 1 0 315.373 3.728 20 5 DHBDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000449617664 1028869048 /nfs/dbraw/zinc/86/90/48/1028869048.db2.gz WGNWWXYHUDFAQR-HDJSIYSDSA-N 1 0 318.398 3.701 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000925229794 1029581557 /nfs/dbraw/zinc/58/15/57/1029581557.db2.gz IMYQHQLKDXTHTD-LRDDRELGSA-N 1 0 315.373 3.800 20 5 DHBDRO COc1cc(C)ccc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000390371654 1029589009 /nfs/dbraw/zinc/58/90/09/1029589009.db2.gz QIBAFRKACDQGIM-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO COc1cc(C)ccc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000390371655 1029589571 /nfs/dbraw/zinc/58/95/71/1029589571.db2.gz QIBAFRKACDQGIM-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000451101106 1029796261 /nfs/dbraw/zinc/79/62/61/1029796261.db2.gz BDMURUSQUGIZMY-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO CCOC1CC(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000530439411 1029849918 /nfs/dbraw/zinc/84/99/18/1029849918.db2.gz ADDYKFFTJAIAGC-HLIUYOAVSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451336761 1029850329 /nfs/dbraw/zinc/85/03/29/1029850329.db2.gz FZOOQBUYNIAATA-BVPBIZIASA-N 1 0 318.417 3.671 20 5 DHBDRO CCO[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000451542039 1029905904 /nfs/dbraw/zinc/90/59/04/1029905904.db2.gz MRHMNXWELSJVMV-CKEIUWERSA-N 1 0 306.406 3.711 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3CC(F)(F)C3)C2)cc1 ZINC000451546726 1029907499 /nfs/dbraw/zinc/90/74/99/1029907499.db2.gz JMIDRFNAVCQJAV-CQSZACIVSA-N 1 0 310.344 3.820 20 5 DHBDRO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547180 1029914200 /nfs/dbraw/zinc/91/42/00/1029914200.db2.gz KMHICDFBWBYUJH-WMLDXEAASA-N 1 0 311.385 3.930 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)CCCO)cc1[N+](=O)[O-] ZINC000357356952 1030011934 /nfs/dbraw/zinc/01/19/34/1030011934.db2.gz QRRKBNFHCIOLFT-UHFFFAOYSA-N 1 0 308.422 3.607 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2cnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000865788035 1030023964 /nfs/dbraw/zinc/02/39/64/1030023964.db2.gz XDHUHNOWVZSOGK-UHFFFAOYSA-N 1 0 303.387 3.527 20 5 DHBDRO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963689 1030068800 /nfs/dbraw/zinc/06/88/00/1030068800.db2.gz HXZXBFZVKDLTAO-XJKSGUPXSA-N 1 0 306.431 3.875 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000822827651 1030138968 /nfs/dbraw/zinc/13/89/68/1030138968.db2.gz RVHBIBDCHGQMDW-VHSXEESVSA-N 1 0 303.189 3.829 20 5 DHBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CC1(Cl)Cl ZINC000823024622 1030194055 /nfs/dbraw/zinc/19/40/55/1030194055.db2.gz AGIZYJDPNLWISE-GFCCVEGCSA-N 1 0 317.216 3.653 20 5 DHBDRO CSc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000357859027 1030224907 /nfs/dbraw/zinc/22/49/07/1030224907.db2.gz YHMBHVYBYHPJQK-LLVKDONJSA-N 1 0 303.387 3.563 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000290900341 1030245511 /nfs/dbraw/zinc/24/55/11/1030245511.db2.gz NXEIUFRLNNCLTF-KCJUWKMLSA-N 1 0 319.188 3.559 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000866351841 1030248494 /nfs/dbraw/zinc/24/84/94/1030248494.db2.gz RVCNTUGNHNLQAU-QWRGUYRKSA-N 1 0 316.323 3.690 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000866527738 1030343893 /nfs/dbraw/zinc/34/38/93/1030343893.db2.gz NHZIGAUOAFBABU-HOCLYGCPSA-N 1 0 318.417 3.761 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866528647 1030347604 /nfs/dbraw/zinc/34/76/04/1030347604.db2.gz HIKYEUAPUOFFME-LSDHHAIUSA-N 1 0 318.417 3.761 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000866540102 1030359748 /nfs/dbraw/zinc/35/97/48/1030359748.db2.gz VYFKTEAFZOBBQQ-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000925468020 1030370438 /nfs/dbraw/zinc/37/04/38/1030370438.db2.gz YBRHUBTUARFRNY-MSOLQXFVSA-N 1 0 320.433 3.568 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cnn1C(C)C ZINC000358339461 1030445574 /nfs/dbraw/zinc/44/55/74/1030445574.db2.gz NXBZWEVXCBLLJU-ZDUSSCGKSA-N 1 0 316.405 3.840 20 5 DHBDRO CCC[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000824543763 1030589251 /nfs/dbraw/zinc/58/92/51/1030589251.db2.gz NOZOYBLUNJVJMC-NSHDSACASA-N 1 0 321.204 3.806 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000824751360 1030638617 /nfs/dbraw/zinc/63/86/17/1030638617.db2.gz UQJGGECTTOYLRF-LBPRGKRZSA-N 1 0 324.808 3.687 20 5 DHBDRO CCC[C@H](NC[C@H](C)[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000359021269 1030734693 /nfs/dbraw/zinc/73/46/93/1030734693.db2.gz UHGOFXXCZHIOIG-YOEHRIQHSA-N 1 0 307.438 3.756 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825294750 1030768271 /nfs/dbraw/zinc/76/82/71/1030768271.db2.gz XUFKMQFJLALWQG-UKRRQHHQSA-N 1 0 312.797 3.686 20 5 DHBDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000927021262 1031038127 /nfs/dbraw/zinc/03/81/27/1031038127.db2.gz MLNBNSKWWKEWEU-AAEUAGOBSA-N 1 0 312.435 3.518 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000927065295 1031060804 /nfs/dbraw/zinc/06/08/04/1031060804.db2.gz GYAKIJHCNWZIJL-DYVFJYSZSA-N 1 0 316.405 3.685 20 5 DHBDRO CC(F)(F)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000292981380 1031276970 /nfs/dbraw/zinc/27/69/70/1031276970.db2.gz NCLYURFBBPVAPA-UHFFFAOYSA-N 1 0 306.312 3.996 20 5 DHBDRO CCCC[NH+]1CCC(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872027313 1031412176 /nfs/dbraw/zinc/41/21/76/1031412176.db2.gz CUQYZKULVBRADK-CYBMUJFWSA-N 1 0 323.412 3.649 20 5 DHBDRO COCCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872029919 1031414886 /nfs/dbraw/zinc/41/48/86/1031414886.db2.gz VNCAUIVHALEWGM-LBPRGKRZSA-N 1 0 312.435 3.784 20 5 DHBDRO COCCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872051108 1031438100 /nfs/dbraw/zinc/43/81/00/1031438100.db2.gz FZTYQIGICXLWBN-LBPRGKRZSA-N 1 0 324.446 3.784 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053038 1031441125 /nfs/dbraw/zinc/44/11/25/1031441125.db2.gz WAMUKUSMSQGPPA-YWPYICTPSA-N 1 0 324.396 3.978 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000536837262 1031448599 /nfs/dbraw/zinc/44/85/99/1031448599.db2.gz DUTXHFBAJZWYAY-QGZVFWFLSA-N 1 0 300.333 3.554 20 5 DHBDRO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872058051 1031449743 /nfs/dbraw/zinc/44/97/43/1031449743.db2.gz MRCQKCNEMDMEIG-MELADBBJSA-N 1 0 324.396 3.978 20 5 DHBDRO COC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CCC1 ZINC000872059484 1031451228 /nfs/dbraw/zinc/45/12/28/1031451228.db2.gz GACCGBCRAWNGCS-LLVKDONJSA-N 1 0 310.419 3.536 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000536856776 1031458084 /nfs/dbraw/zinc/45/80/84/1031458084.db2.gz GGVPMWXSNQGDMG-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000872066040 1031460817 /nfs/dbraw/zinc/46/08/17/1031460817.db2.gz JECVNDGYMZCOOE-MRVPVSSYSA-N 1 0 302.346 3.765 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000872066799 1031462624 /nfs/dbraw/zinc/46/26/24/1031462624.db2.gz QRKKCEBEHMBDLJ-GOEBONIOSA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1cccc(CCC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872069130 1031464438 /nfs/dbraw/zinc/46/44/38/1031464438.db2.gz LKLMSNRVEDNIHA-ZDUSSCGKSA-N 1 0 317.364 3.721 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOC(F)F ZINC000872070223 1031465286 /nfs/dbraw/zinc/46/52/86/1031465286.db2.gz SLVQCTIAMCVYOT-SECBINFHSA-N 1 0 320.361 3.597 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)COCC(F)(F)F ZINC000536883842 1031465864 /nfs/dbraw/zinc/46/58/64/1031465864.db2.gz ZITCIXKJKPGOLX-QWRGUYRKSA-N 1 0 320.311 3.521 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872073852 1031469164 /nfs/dbraw/zinc/46/91/64/1031469164.db2.gz WBUSXUHJYXSLCN-NVGCLXPQSA-N 1 0 318.348 3.507 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000872075733 1031472034 /nfs/dbraw/zinc/47/20/34/1031472034.db2.gz UVELTXCVEIOSRC-GFCCVEGCSA-N 1 0 317.414 3.871 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000872080851 1031476043 /nfs/dbraw/zinc/47/60/43/1031476043.db2.gz SZXUGQNMMPFRSP-XQQFMLRXSA-N 1 0 324.446 3.518 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083482 1031479462 /nfs/dbraw/zinc/47/94/62/1031479462.db2.gz BMUTXYOIEAXVHE-WCQYABFASA-N 1 0 310.369 3.590 20 5 DHBDRO CSCC1(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872086221 1031481584 /nfs/dbraw/zinc/48/15/84/1031481584.db2.gz VLVDEGSMEPQXRQ-LLVKDONJSA-N 1 0 312.410 3.918 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000872089267 1031485858 /nfs/dbraw/zinc/48/58/58/1031485858.db2.gz WCQXYQGBIRZMHH-RYUDHWBXSA-N 1 0 324.446 3.782 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccnc1C ZINC000872091116 1031488286 /nfs/dbraw/zinc/48/82/86/1031488286.db2.gz VVXIJQQGYLPZGM-LBPRGKRZSA-N 1 0 317.414 3.871 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C(C)(C)O)cc1 ZINC000925309556 1031534937 /nfs/dbraw/zinc/53/49/37/1031534937.db2.gz HOLVTWHGVIGYCW-CYBMUJFWSA-N 1 0 314.385 3.673 20 5 DHBDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293823349 1031640691 /nfs/dbraw/zinc/64/06/91/1031640691.db2.gz SCLWPXJIMZTOPB-KZULUSFZSA-N 1 0 311.385 3.979 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000360975622 1031655419 /nfs/dbraw/zinc/65/54/19/1031655419.db2.gz VFOMEUMNMMWDGA-CQSZACIVSA-N 1 0 321.421 3.527 20 5 DHBDRO COc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873007041 1031691527 /nfs/dbraw/zinc/69/15/27/1031691527.db2.gz WCEHKXLIGLVUPI-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO Cc1noc(C)c1CCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873073879 1031704806 /nfs/dbraw/zinc/70/48/06/1031704806.db2.gz FMKANULONASHGK-UHFFFAOYSA-N 1 0 317.389 3.539 20 5 DHBDRO COc1cc(F)cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873098381 1031709567 /nfs/dbraw/zinc/70/95/67/1031709567.db2.gz FZDNPTIXCZKRCJ-UHFFFAOYSA-N 1 0 318.348 3.649 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873096885 1031709725 /nfs/dbraw/zinc/70/97/25/1031709725.db2.gz ZYMUBVQKYPSJCA-LLVKDONJSA-N 1 0 317.389 3.710 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)C[C@@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000873097357 1031710387 /nfs/dbraw/zinc/71/03/87/1031710387.db2.gz OOJHEZOCSYRBRF-XHDPSFHLSA-N 1 0 320.414 3.567 20 5 DHBDRO COC1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873104064 1031712872 /nfs/dbraw/zinc/71/28/72/1031712872.db2.gz JJPINYSQHKYLTO-UHFFFAOYSA-N 1 0 306.406 3.588 20 5 DHBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000873183911 1031745687 /nfs/dbraw/zinc/74/56/87/1031745687.db2.gz PZZDPDMDPXQSES-ZDUSSCGKSA-N 1 0 300.358 3.844 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H](O)c1ccccc1 ZINC000873193438 1031750991 /nfs/dbraw/zinc/75/09/91/1031750991.db2.gz CFGZWFVSIVPUGR-AEFFLSMTSA-N 1 0 314.385 3.505 20 5 DHBDRO Cc1ccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846039100 1031832348 /nfs/dbraw/zinc/83/23/48/1031832348.db2.gz UAXCGTOIUACTGS-KBPBESRZSA-N 1 0 300.761 3.698 20 5 DHBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@]1(F)Cl ZINC000846040518 1031835079 /nfs/dbraw/zinc/83/50/79/1031835079.db2.gz UZQHQMQTJDHHJT-QWHCGFSZSA-N 1 0 304.724 3.528 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000897970340 1031885030 /nfs/dbraw/zinc/88/50/30/1031885030.db2.gz IAQHZLDVYVYUBP-UHFFFAOYSA-N 1 0 318.417 3.649 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1cccnc1 ZINC000897966776 1031901020 /nfs/dbraw/zinc/90/10/20/1031901020.db2.gz GTCHVRTZBSAJCC-CABCVRRESA-N 1 0 313.401 3.532 20 5 DHBDRO CC[C@@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777954175 1032026565 /nfs/dbraw/zinc/02/65/65/1032026565.db2.gz CYZSGLFXTCWFBE-CQSZACIVSA-N 1 0 314.389 3.538 20 5 DHBDRO CC(C)[N@H+](CC1CC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954149 1032027407 /nfs/dbraw/zinc/02/74/07/1032027407.db2.gz CCVIWOGUKBGNNR-UHFFFAOYSA-N 1 0 314.389 3.536 20 5 DHBDRO C[N@H+](CC1CCCC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954269 1032027749 /nfs/dbraw/zinc/02/77/49/1032027749.db2.gz ILYKSWPJESBBKN-UHFFFAOYSA-N 1 0 314.389 3.538 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000136691007 1033312994 /nfs/dbraw/zinc/31/29/94/1033312994.db2.gz NAUYPPHNPMKKFO-AWEZNQCLSA-N 1 0 324.808 3.830 20 5 DHBDRO CCOc1cccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000539279654 1033314966 /nfs/dbraw/zinc/31/49/66/1033314966.db2.gz RJJMFTYSHACNKL-CQSZACIVSA-N 1 0 314.385 3.887 20 5 DHBDRO CCC[C@H]1CCCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877575573 1033367614 /nfs/dbraw/zinc/36/76/14/1033367614.db2.gz YHUAAWQKYBKRLX-FXQLRMTLSA-N 1 0 320.437 3.691 20 5 DHBDRO CC1(C)CCC(C)(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877589051 1033369021 /nfs/dbraw/zinc/36/90/21/1033369021.db2.gz FZUAQSSCNURSKT-UHFFFAOYSA-N 1 0 320.437 3.691 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000877603631 1033375630 /nfs/dbraw/zinc/37/56/30/1033375630.db2.gz RKUKFBMKZGJUDQ-CRAIPNDOSA-N 1 0 318.417 3.603 20 5 DHBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCC34CCCCC4)C2)c1 ZINC000877620677 1033384933 /nfs/dbraw/zinc/38/49/33/1033384933.db2.gz KMTKBCMVWFZRSU-XUJLQICISA-N 1 0 318.421 3.587 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000151031327 1033409956 /nfs/dbraw/zinc/40/99/56/1033409956.db2.gz OLXBDBPUTOPJCH-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1F)CC2 ZINC001172896889 1033434748 /nfs/dbraw/zinc/43/47/48/1033434748.db2.gz TXXLUWYLEIUIRT-ZMSDIMECSA-N 1 0 306.381 3.570 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccnc1 ZINC001172896871 1033435798 /nfs/dbraw/zinc/43/57/98/1033435798.db2.gz TUXMLMZEZYARLE-CXAGYDPISA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903283 1033437750 /nfs/dbraw/zinc/43/77/50/1033437750.db2.gz GJXOYQUVZNYNLE-YOEHRIQHSA-N 1 0 302.418 3.964 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC001172901830 1033438315 /nfs/dbraw/zinc/43/83/15/1033438315.db2.gz PSBJFHBONJLPRN-MRXNPFEDSA-N 1 0 300.402 3.620 20 5 DHBDRO C[C@H]1C[C@@H](CF)[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906708 1033440378 /nfs/dbraw/zinc/44/03/78/1033440378.db2.gz YBJSSXWSTBNQOQ-MJEQTWJJSA-N 1 0 306.381 3.522 20 5 DHBDRO C[C@@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C2(CC2)C1 ZINC001172918757 1033466778 /nfs/dbraw/zinc/46/67/78/1033466778.db2.gz CGCMWBQZKUWBKF-XJKSGUPXSA-N 1 0 300.402 3.717 20 5 DHBDRO C[N@H+](C[C@H]1CC1(C)C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919234 1033467335 /nfs/dbraw/zinc/46/73/35/1033467335.db2.gz FJXYRRBBRXOCFG-HZPDHXFCSA-N 1 0 302.418 3.820 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCCCC13CC3)CC2 ZINC001172921308 1033468761 /nfs/dbraw/zinc/46/87/61/1033468761.db2.gz ODTZOAWEWUWQOM-INIZCTEOSA-N 1 0 300.402 3.861 20 5 DHBDRO C[N@H+](CC1CCCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921805 1033468828 /nfs/dbraw/zinc/46/88/28/1033468828.db2.gz UBADTACTPARCPY-QGZVFWFLSA-N 1 0 302.418 3.964 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCC1(F)F)CC2 ZINC001172911549 1033485227 /nfs/dbraw/zinc/48/52/27/1033485227.db2.gz JKKDTKYMYJILBX-DZGCQCFKSA-N 1 0 310.344 3.620 20 5 DHBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152115672 1033502100 /nfs/dbraw/zinc/50/21/00/1033502100.db2.gz KWKBOQNPFBJAKK-NEPJUHHUSA-N 1 0 317.389 3.790 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)Cc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000152158138 1033504611 /nfs/dbraw/zinc/50/46/11/1033504611.db2.gz ICWWBRJFKNLVBL-APPDUMDISA-N 1 0 317.389 3.872 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)Cc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000152158047 1033505398 /nfs/dbraw/zinc/50/53/98/1033505398.db2.gz ICWWBRJFKNLVBL-GTNSWQLSSA-N 1 0 317.389 3.872 20 5 DHBDRO Cc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])nc1Cl ZINC000877916887 1033514248 /nfs/dbraw/zinc/51/42/48/1033514248.db2.gz LLWCLLFNJFXIFR-UHFFFAOYSA-N 1 0 305.765 3.584 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCCCCC2)c1F ZINC001173175453 1033580682 /nfs/dbraw/zinc/58/06/82/1033580682.db2.gz NQAJOKJWRSURLA-GFCCVEGCSA-N 1 0 324.396 3.986 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)CC(C)C)c1F ZINC001173175440 1033580829 /nfs/dbraw/zinc/58/08/29/1033580829.db2.gz CGCCKHGJVIKTLD-VXGBXAGGSA-N 1 0 312.385 3.698 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CCCCC2)c1F ZINC001173175173 1033580912 /nfs/dbraw/zinc/58/09/12/1033580912.db2.gz LIBQKNVSDPVDMC-GFCCVEGCSA-N 1 0 324.396 3.843 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cccs2)c1F ZINC001173175134 1033581796 /nfs/dbraw/zinc/58/17/96/1033581796.db2.gz KZPAREHJXSBKIA-SNVBAGLBSA-N 1 0 324.377 3.525 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC[C@H](C)C2)c1F ZINC001173181800 1033583718 /nfs/dbraw/zinc/58/37/18/1033583718.db2.gz PVANRUZOZKPSFH-STQMWFEESA-N 1 0 324.396 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+](C(C)C)C(C)C)c1F ZINC001173186820 1033584537 /nfs/dbraw/zinc/58/45/37/1033584537.db2.gz VJFQYCPPDXPFKM-GFCCVEGCSA-N 1 0 312.385 3.792 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](CC2CC2)C(C)C)c1F ZINC001173188620 1033585267 /nfs/dbraw/zinc/58/52/67/1033585267.db2.gz GUTWGEZVQLJPCE-LBPRGKRZSA-N 1 0 324.396 3.794 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H]2C(C)C)c1F ZINC001173193142 1033588099 /nfs/dbraw/zinc/58/80/99/1033588099.db2.gz QRSPXWGLZCHHAT-GXTWGEPZSA-N 1 0 324.396 3.794 20 5 DHBDRO CCC(CC)[N@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173195629 1033588169 /nfs/dbraw/zinc/58/81/69/1033588169.db2.gz HPFYWQSGYPKTKY-NSHDSACASA-N 1 0 312.385 3.794 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C[C@@H]2CC2(C)C)c1F ZINC001173198386 1033590784 /nfs/dbraw/zinc/59/07/84/1033590784.db2.gz ZBTPQLBXHSNWLI-RYUDHWBXSA-N 1 0 324.396 3.651 20 5 DHBDRO CC[N@H+](CC(C)C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000153739027 1033590940 /nfs/dbraw/zinc/59/09/40/1033590940.db2.gz WOHHHCYNILLRJF-GFCCVEGCSA-N 1 0 318.377 3.684 20 5 DHBDRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215561 1033597373 /nfs/dbraw/zinc/59/73/73/1033597373.db2.gz WSMCDYDOJUQLPC-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)cc1 ZINC001173217479 1033598507 /nfs/dbraw/zinc/59/85/07/1033598507.db2.gz VJHZISCDWUOOBA-GFCCVEGCSA-N 1 0 304.777 3.969 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCc2cccnc21 ZINC001173219148 1033600039 /nfs/dbraw/zinc/60/00/39/1033600039.db2.gz XOWBKVKWJVUKCX-CXAGYDPISA-N 1 0 311.385 3.588 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173221261 1033600685 /nfs/dbraw/zinc/60/06/85/1033600685.db2.gz GTFNSOAUTJFCAN-AWEZNQCLSA-N 1 0 314.385 3.666 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001173222002 1033603046 /nfs/dbraw/zinc/60/30/46/1033603046.db2.gz OFBUBUIRBKPDLN-FPMFFAJLSA-N 1 0 310.344 3.503 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001173228813 1033604985 /nfs/dbraw/zinc/60/49/85/1033604985.db2.gz ZACOQKQCJQDSLH-KBXCAEBGSA-N 1 0 311.385 3.758 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1Cc2ccccc2C[C@H]1C ZINC001173231215 1033605249 /nfs/dbraw/zinc/60/52/49/1033605249.db2.gz KKJZBFJGIGYWKL-HUUCEWRRSA-N 1 0 310.397 3.973 20 5 DHBDRO COc1cccc2c1C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173231556 1033608623 /nfs/dbraw/zinc/60/86/23/1033608623.db2.gz MRCDZKXCIFXSJJ-ZDUSSCGKSA-N 1 0 312.369 3.550 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2ccccc2)CC1 ZINC001173214550 1033614068 /nfs/dbraw/zinc/61/40/68/1033614068.db2.gz OXMJENLHOVNBOW-HNNXBMFYSA-N 1 0 310.397 3.891 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)cc(F)c1F ZINC001173213516 1033614227 /nfs/dbraw/zinc/61/42/27/1033614227.db2.gz IDKUNDNFHRRECM-SNVBAGLBSA-N 1 0 324.302 3.733 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]1Cc1ccccc1 ZINC000479100480 1033659499 /nfs/dbraw/zinc/65/94/99/1033659499.db2.gz LWNQZYPUTCVRJT-CQSZACIVSA-N 1 0 300.333 3.551 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000878356332 1033671242 /nfs/dbraw/zinc/67/12/42/1033671242.db2.gz UNCMCXGQLLVNSB-TZMCWYRMSA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173439061 1033709327 /nfs/dbraw/zinc/70/93/27/1033709327.db2.gz PSAOZHYWAUWUGK-RDTXWAMCSA-N 1 0 314.385 3.759 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000878647880 1033781869 /nfs/dbraw/zinc/78/18/69/1033781869.db2.gz JVSAIZWHXUXVSQ-MRXNPFEDSA-N 1 0 311.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3cccnc3)C2)cc1F ZINC000878753398 1033819635 /nfs/dbraw/zinc/81/96/35/1033819635.db2.gz JQGVLGSLGPXZOJ-HNNXBMFYSA-N 1 0 315.348 3.509 20 5 DHBDRO C[N@H+](CCC(C)(C)C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878761160 1033822162 /nfs/dbraw/zinc/82/21/62/1033822162.db2.gz HJAQNXDQPWKTRJ-UHFFFAOYSA-N 1 0 318.377 3.513 20 5 DHBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878889732 1033856764 /nfs/dbraw/zinc/85/67/64/1033856764.db2.gz GUEYFWFSKFBZIG-NSHDSACASA-N 1 0 318.377 3.559 20 5 DHBDRO Cn1cccc1[C@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000175127492 1033981982 /nfs/dbraw/zinc/98/19/82/1033981982.db2.gz YFDXIOCSDRACRO-CQSZACIVSA-N 1 0 305.403 3.722 20 5 DHBDRO C[C@H](CCCC(F)(F)F)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000480167997 1034099359 /nfs/dbraw/zinc/09/93/59/1034099359.db2.gz MMDOJUWROSOHNH-LLVKDONJSA-N 1 0 304.312 3.848 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)cc1[N+](=O)[O-] ZINC000178548828 1034245004 /nfs/dbraw/zinc/24/50/04/1034245004.db2.gz PRMKSULJMQGTOU-KBPBESRZSA-N 1 0 314.385 3.807 20 5 DHBDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178671755 1034257881 /nfs/dbraw/zinc/25/78/81/1034257881.db2.gz FGYVHIKDDAGTGX-MSOLQXFVSA-N 1 0 314.385 3.543 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](C)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480626654 1034360716 /nfs/dbraw/zinc/36/07/16/1034360716.db2.gz QQGWJGGYXPYFBB-HUUCEWRRSA-N 1 0 313.401 3.770 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)C(F)(F)F ZINC000480667549 1034381798 /nfs/dbraw/zinc/38/17/98/1034381798.db2.gz RQSPZXWQLRDHDB-GHMZBOCLSA-N 1 0 304.312 3.704 20 5 DHBDRO C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000480693192 1034404399 /nfs/dbraw/zinc/40/43/99/1034404399.db2.gz JSSHHIMPOABZKA-RDTXWAMCSA-N 1 0 319.449 3.756 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000184676969 1034493441 /nfs/dbraw/zinc/49/34/41/1034493441.db2.gz MSTWAKIBRFPCAL-CYBMUJFWSA-N 1 0 314.385 3.673 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000185566272 1034557169 /nfs/dbraw/zinc/55/71/69/1034557169.db2.gz QQEYKZXUIQTJOE-LLVKDONJSA-N 1 0 304.321 3.599 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)c(C(F)F)c1 ZINC000865425618 1034641441 /nfs/dbraw/zinc/64/14/41/1034641441.db2.gz UAXSLSCRJIWUNH-UHFFFAOYSA-N 1 0 311.332 3.571 20 5 DHBDRO Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000186776415 1034660710 /nfs/dbraw/zinc/66/07/10/1034660710.db2.gz YVRLQFMHYFXDNM-JQWIXIFHSA-N 1 0 305.403 3.814 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)ccc1Cl ZINC000777442453 1034745116 /nfs/dbraw/zinc/74/51/16/1034745116.db2.gz KHOPQZMIWXSDHC-HNNXBMFYSA-N 1 0 324.808 3.639 20 5 DHBDRO CC1=CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555504052 1034758528 /nfs/dbraw/zinc/75/85/28/1034758528.db2.gz ZHHGJYJSQRZVCW-UHFFFAOYSA-N 1 0 300.280 3.766 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000600214151 1034806990 /nfs/dbraw/zinc/80/69/90/1034806990.db2.gz LGDUQVKTYBYEDM-INIZCTEOSA-N 1 0 312.369 3.598 20 5 DHBDRO CC(C)OCCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193279497 1034840029 /nfs/dbraw/zinc/84/00/29/1034840029.db2.gz KVYJOJIMQRCSIZ-KRWDZBQOSA-N 1 0 306.406 3.767 20 5 DHBDRO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000481768368 1034969332 /nfs/dbraw/zinc/96/93/32/1034969332.db2.gz MNZHOGHAZULYKR-SMDDNHRTSA-N 1 0 316.323 3.800 20 5 DHBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001175568578 1035045434 /nfs/dbraw/zinc/04/54/34/1035045434.db2.gz AUHOBFPOFXMDGK-UHFFFAOYSA-N 1 0 314.813 3.668 20 5 DHBDRO CC[C@H](C)C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159416549 1035048507 /nfs/dbraw/zinc/04/85/07/1035048507.db2.gz IXLSZTSRLQNIDL-JTQLQIEISA-N 1 0 315.211 3.835 20 5 DHBDRO CCC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000159949529 1035119351 /nfs/dbraw/zinc/11/93/51/1035119351.db2.gz GJISMUITUJLLII-GOEBONIOSA-N 1 0 306.406 3.983 20 5 DHBDRO C[C@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000482631588 1035151240 /nfs/dbraw/zinc/15/12/40/1035151240.db2.gz SNLBIKNEEMLHGM-ZNMIVQPWSA-N 1 0 305.422 3.508 20 5 DHBDRO CC[C@H](C)C[N@H+](CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000482883843 1035194442 /nfs/dbraw/zinc/19/44/42/1035194442.db2.gz BEKDALKMNBAYPK-ZDUSSCGKSA-N 1 0 321.421 3.600 20 5 DHBDRO CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000482947473 1035203527 /nfs/dbraw/zinc/20/35/27/1035203527.db2.gz KGSNXVDEYXTLQE-RDJZCZTQSA-N 1 0 319.449 3.818 20 5 DHBDRO CC[C@H]1CCCC[N@@H+]1CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000482954624 1035205520 /nfs/dbraw/zinc/20/55/20/1035205520.db2.gz FDRVNKQHJLKRDX-ZBFHGGJFSA-N 1 0 305.422 3.510 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC001176193259 1035217219 /nfs/dbraw/zinc/21/72/19/1035217219.db2.gz OQJBSKGFCYAMGN-JSGCOSHPSA-N 1 0 314.307 3.759 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCc1ccccc1)C1CC1 ZINC001176414145 1035267981 /nfs/dbraw/zinc/26/79/81/1035267981.db2.gz XGOZHRWXALMMJN-UHFFFAOYSA-N 1 0 314.360 3.941 20 5 DHBDRO CC[C@@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001177683726 1035386958 /nfs/dbraw/zinc/38/69/58/1035386958.db2.gz RAGJVSONDVADBC-HNNXBMFYSA-N 1 0 314.385 3.757 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3scnc3c2)cc1 ZINC001177737096 1035390609 /nfs/dbraw/zinc/39/06/09/1035390609.db2.gz KMIWFHNYBREDIP-UHFFFAOYSA-N 1 0 313.382 3.537 20 5 DHBDRO CO[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC(C)C ZINC001178978382 1035456496 /nfs/dbraw/zinc/45/64/96/1035456496.db2.gz WGVVPNQWPCJKAT-ZGUWOUCSSA-N 1 0 306.406 3.649 20 5 DHBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC001179248783 1035470993 /nfs/dbraw/zinc/47/09/93/1035470993.db2.gz WTAMBEIZHIXYJR-QGZVFWFLSA-N 1 0 306.406 3.588 20 5 DHBDRO COc1ccc(F)c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001179686538 1035489135 /nfs/dbraw/zinc/48/91/35/1035489135.db2.gz YXLJOXMQBIGUPO-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO C[C@@]1(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCO1 ZINC001179913627 1035548093 /nfs/dbraw/zinc/54/80/93/1035548093.db2.gz AUXOLNJZAHJWEJ-KRWDZBQOSA-N 1 0 304.390 3.518 20 5 DHBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001193648203 1035692824 /nfs/dbraw/zinc/69/28/24/1035692824.db2.gz DTQFDNOAMDVFAH-CABCVRRESA-N 1 0 306.406 3.922 20 5 DHBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001193664779 1035699412 /nfs/dbraw/zinc/69/94/12/1035699412.db2.gz ZVPBYTXPBZFXMA-RISCZKNCSA-N 1 0 321.377 3.807 20 5 DHBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCCC1 ZINC000089891037 1035770773 /nfs/dbraw/zinc/77/07/73/1035770773.db2.gz LRNORFNXNPKFNS-UHFFFAOYSA-N 1 0 315.373 3.872 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000595006622 1035841668 /nfs/dbraw/zinc/84/16/68/1035841668.db2.gz MDQULXVKGFWWPS-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001181267925 1035877602 /nfs/dbraw/zinc/87/76/02/1035877602.db2.gz WOQQHJUBRWRWFK-NEPJUHHUSA-N 1 0 302.378 3.530 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000485707592 1035879548 /nfs/dbraw/zinc/87/95/48/1035879548.db2.gz KKLBEQVHBKYBSK-LSDHHAIUSA-N 1 0 304.390 3.758 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000540157007 1035988890 /nfs/dbraw/zinc/98/88/90/1035988890.db2.gz UUVAUTOFJRBKDM-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000152922476 1036064177 /nfs/dbraw/zinc/06/41/77/1036064177.db2.gz GLNMXBGSBNCBGI-QGZVFWFLSA-N 1 0 316.357 3.514 20 5 DHBDRO CCC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000090084269 1036224021 /nfs/dbraw/zinc/22/40/21/1036224021.db2.gz SSCRAIYJBXKCCM-CJNGLKHVSA-N 1 0 308.422 3.823 20 5 DHBDRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774215056 1036246539 /nfs/dbraw/zinc/24/65/39/1036246539.db2.gz UTVKNQAPIOYNNP-BJJXKVORSA-N 1 0 306.431 3.846 20 5 DHBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000541202518 1036256213 /nfs/dbraw/zinc/25/62/13/1036256213.db2.gz LEQDSCVTSVMSNO-NEPJUHHUSA-N 1 0 320.414 3.572 20 5 DHBDRO C[C@H](Cc1ccsc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000541234893 1036265485 /nfs/dbraw/zinc/26/54/85/1036265485.db2.gz RXAXBMGFUJWWNE-GFCCVEGCSA-N 1 0 302.399 3.646 20 5 DHBDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541547034 1036351496 /nfs/dbraw/zinc/35/14/96/1036351496.db2.gz NMQWFPUCTPKJIP-HNNXBMFYSA-N 1 0 314.813 3.525 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C2CCCCC2)C1 ZINC000541717946 1036408427 /nfs/dbraw/zinc/40/84/27/1036408427.db2.gz KJASUFWORMZBPY-KBXCAEBGSA-N 1 0 318.417 3.937 20 5 DHBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775680822 1036411437 /nfs/dbraw/zinc/41/14/37/1036411437.db2.gz GWJSTDCMQFGFIW-KBRIMQKVSA-N 1 0 306.406 3.577 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOCc1ccccc1 ZINC000464852265 1036473912 /nfs/dbraw/zinc/47/39/12/1036473912.db2.gz QVHLQCYNNUAKLU-OAHLLOKOSA-N 1 0 314.385 3.804 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000271840158 1036562903 /nfs/dbraw/zinc/56/29/03/1036562903.db2.gz BJUGWUNYNDEEJI-ZIAGYGMSSA-N 1 0 314.385 3.807 20 5 DHBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000774618110 1036570423 /nfs/dbraw/zinc/57/04/23/1036570423.db2.gz JNGWLWZYKFPFMQ-SUMWQHHRSA-N 1 0 314.389 3.536 20 5 DHBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)CC(C)(C)C ZINC000774636061 1036599205 /nfs/dbraw/zinc/59/92/05/1036599205.db2.gz KCYGKAKVGDZQLJ-UHFFFAOYSA-N 1 0 310.785 3.533 20 5 DHBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000495407654 1036620500 /nfs/dbraw/zinc/62/05/00/1036620500.db2.gz JIRUWDBDGHTEFT-GJZGRUSLSA-N 1 0 314.385 3.755 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000495416027 1036624080 /nfs/dbraw/zinc/62/40/80/1036624080.db2.gz WEUSWHSZTPQYIT-CJNGLKHVSA-N 1 0 320.433 3.852 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1ccc(F)cc1 ZINC000487561912 1036675678 /nfs/dbraw/zinc/67/56/78/1036675678.db2.gz PLJVTPLZQSBTLB-CYBMUJFWSA-N 1 0 318.348 3.806 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]C3CC=CC3)o2)c([N+](=O)[O-])c1 ZINC000151981674 1036776352 /nfs/dbraw/zinc/77/63/52/1036776352.db2.gz HSGLENZLGQGWJH-UHFFFAOYSA-N 1 0 314.341 3.672 20 5 DHBDRO C[NH+](C)C(C)(C)CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001184536268 1036867532 /nfs/dbraw/zinc/86/75/32/1036867532.db2.gz OZTOHRVJWXTZIZ-UHFFFAOYSA-N 1 0 306.193 3.654 20 5 DHBDRO Cc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])s1 ZINC001184500617 1036869291 /nfs/dbraw/zinc/86/92/91/1036869291.db2.gz KQSCTSHMKVXYKO-AWEZNQCLSA-N 1 0 319.430 3.550 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000130202493 1036907053 /nfs/dbraw/zinc/90/70/53/1036907053.db2.gz OWNOIINWZXRUME-UOJCXKCYSA-N 1 0 316.401 3.511 20 5 DHBDRO C[C@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000089210138 1036922138 /nfs/dbraw/zinc/92/21/38/1036922138.db2.gz UAECQGMMKONMTE-ZBEGNZNMSA-N 1 0 320.776 3.632 20 5 DHBDRO CCC(CC)[C@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001184740317 1036943694 /nfs/dbraw/zinc/94/36/94/1036943694.db2.gz PILXHHGOERADID-KRWDZBQOSA-N 1 0 305.422 3.907 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSC[C@@H](C)C1 ZINC000488403963 1036998180 /nfs/dbraw/zinc/99/81/80/1036998180.db2.gz ZEGFELISTUATOL-MQJVFOOVSA-N 1 0 306.431 3.683 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSC[C@@H](C)C1 ZINC000488403961 1036998963 /nfs/dbraw/zinc/99/89/63/1036998963.db2.gz ZEGFELISTUATOL-CZAWJFPGSA-N 1 0 306.431 3.683 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000488411984 1037006919 /nfs/dbraw/zinc/00/69/19/1037006919.db2.gz NWEPXMLRQWVSLF-DOMZBBRYSA-N 1 0 324.446 3.613 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000774836960 1037056374 /nfs/dbraw/zinc/05/63/74/1037056374.db2.gz UTQWLKHECQQOGI-GFCCVEGCSA-N 1 0 318.348 3.983 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000316293178 1037084129 /nfs/dbraw/zinc/08/41/29/1037084129.db2.gz KZPDMCSHBJAQHM-AWEZNQCLSA-N 1 0 306.406 3.903 20 5 DHBDRO CC1(C)C[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000489133093 1037282532 /nfs/dbraw/zinc/28/25/32/1037282532.db2.gz YOBOTEWJZPNSAC-ZDUSSCGKSA-N 1 0 300.358 3.991 20 5 DHBDRO Cc1cc(N[C@@H](CC(C)C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001186584089 1037445961 /nfs/dbraw/zinc/44/59/61/1037445961.db2.gz DFGGVXARWXEBBS-INIZCTEOSA-N 1 0 305.422 3.826 20 5 DHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC1(C)C ZINC000489476488 1037452864 /nfs/dbraw/zinc/45/28/64/1037452864.db2.gz IIQGZOWSISCTGY-OAHLLOKOSA-N 1 0 315.373 3.523 20 5 DHBDRO Cc1c(CNCCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC001200923534 1037466735 /nfs/dbraw/zinc/46/67/35/1037466735.db2.gz SJHDFINDOPNZPW-UHFFFAOYSA-N 1 0 307.438 3.502 20 5 DHBDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000775052442 1037499677 /nfs/dbraw/zinc/49/96/77/1037499677.db2.gz DHJRFZABHSYDCG-LRDDRELGSA-N 1 0 319.361 3.515 20 5 DHBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC001186872266 1037510379 /nfs/dbraw/zinc/51/03/79/1037510379.db2.gz LQQSXBJBVNAUGU-HUUCEWRRSA-N 1 0 309.797 3.677 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000490090298 1037609121 /nfs/dbraw/zinc/60/91/21/1037609121.db2.gz PXTSDILIFKBKBI-CYBMUJFWSA-N 1 0 322.405 3.628 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001187361128 1037621102 /nfs/dbraw/zinc/62/11/02/1037621102.db2.gz GGQCIOSTDGAGJJ-HNNXBMFYSA-N 1 0 321.396 3.943 20 5 DHBDRO Nc1ccc2cc3ccc(Nc4cncc(O)c4)cc3[nH+]c2c1 ZINC001201641906 1037828969 /nfs/dbraw/zinc/82/89/69/1037828969.db2.gz WNOCKMGXSAFPDY-UHFFFAOYSA-N 1 0 302.337 3.814 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000124972692 1037916645 /nfs/dbraw/zinc/91/66/45/1037916645.db2.gz QYGJVKXJNPAMCC-XMTFNYHQSA-N 1 0 318.417 3.983 20 5 DHBDRO CCCCCC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000775182085 1037933072 /nfs/dbraw/zinc/93/30/72/1037933072.db2.gz ZVVXYLSLVYUATN-LBPRGKRZSA-N 1 0 304.394 3.920 20 5 DHBDRO COc1ccccc1CC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000609194666 1038071693 /nfs/dbraw/zinc/07/16/93/1038071693.db2.gz BNSFZBZSUIEFLF-AWEZNQCLSA-N 1 0 314.385 3.839 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc3c[nH]nc32)C2CC2)c1 ZINC000154283522 1038209322 /nfs/dbraw/zinc/20/93/22/1038209322.db2.gz MULXPVOUCRUTGA-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO Cc1nc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)sc1C ZINC000127744170 1038213672 /nfs/dbraw/zinc/21/36/72/1038213672.db2.gz KKRYKJBGCFCVKG-GFCCVEGCSA-N 1 0 319.430 3.870 20 5 DHBDRO C[C@H]1CCC[C@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001190590206 1038350384 /nfs/dbraw/zinc/35/03/84/1038350384.db2.gz WOWUEVCRUYTVFV-HOCLYGCPSA-N 1 0 306.406 3.874 20 5 DHBDRO C[C@@H]1[C@@H](Nc2sccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000588854691 1038388323 /nfs/dbraw/zinc/38/83/23/1038388323.db2.gz AMPDOGPEJFXCEI-OCCSQVGLSA-N 1 0 317.414 3.731 20 5 DHBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589187853 1038444900 /nfs/dbraw/zinc/44/49/00/1038444900.db2.gz ZYIXGJCOQUATNG-MJWHDNRXSA-N 1 0 318.417 3.624 20 5 DHBDRO CC(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001191582395 1038518018 /nfs/dbraw/zinc/51/80/18/1038518018.db2.gz QYBDFCWWXGBVKJ-UHFFFAOYSA-N 1 0 319.405 3.576 20 5 DHBDRO CCOc1cc(C[NH+]2CCC(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000590008178 1038563752 /nfs/dbraw/zinc/56/37/52/1038563752.db2.gz HXFRWZKJTTWYEY-UHFFFAOYSA-N 1 0 304.390 3.616 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H](C(F)F)C2)c1 ZINC000590169363 1038598237 /nfs/dbraw/zinc/59/82/37/1038598237.db2.gz YCDDFVQQGHUKGW-QMMMGPOBSA-N 1 0 324.249 3.701 20 5 DHBDRO CC(C)[C@H]1CCCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001192652857 1038687215 /nfs/dbraw/zinc/68/72/15/1038687215.db2.gz ISZSMZNVGGVBNP-OAHLLOKOSA-N 1 0 306.406 3.874 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@@H]3CC3(F)F)o2)c1 ZINC000598646584 1038808948 /nfs/dbraw/zinc/80/89/48/1038808948.db2.gz HPPGTNWWPNHJHI-GFCCVEGCSA-N 1 0 322.311 3.990 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598679577 1038820420 /nfs/dbraw/zinc/82/04/20/1038820420.db2.gz JZJKGRNXESFINE-PWSUYJOCSA-N 1 0 314.332 3.689 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CC[C@H]2CC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000598680031 1038820969 /nfs/dbraw/zinc/82/09/69/1038820969.db2.gz RAIZOLWSSUPSBW-IINYFYTJSA-N 1 0 310.344 3.952 20 5 DHBDRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593622921 1038886383 /nfs/dbraw/zinc/88/63/83/1038886383.db2.gz ZQZMVWICJJZWBG-WCQYABFASA-N 1 0 302.378 3.530 20 5 DHBDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000598965044 1038960411 /nfs/dbraw/zinc/96/04/11/1038960411.db2.gz SLZDFVJFVCIOOM-UHFFFAOYSA-N 1 0 316.348 3.765 20 5 DHBDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000599000901 1038980170 /nfs/dbraw/zinc/98/01/70/1038980170.db2.gz PKTKSLFDOMNKIJ-UHFFFAOYSA-N 1 0 304.312 3.895 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000598994003 1038985387 /nfs/dbraw/zinc/98/53/87/1038985387.db2.gz VOPPVVMVMDWMJW-GOSISDBHSA-N 1 0 311.385 3.929 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000598994005 1038986948 /nfs/dbraw/zinc/98/69/48/1038986948.db2.gz VOPPVVMVMDWMJW-SFHVURJKSA-N 1 0 311.385 3.929 20 5 DHBDRO COCCC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000599059162 1039017380 /nfs/dbraw/zinc/01/73/80/1039017380.db2.gz NTGKISUBVZOJRC-CQSZACIVSA-N 1 0 306.406 3.713 20 5 DHBDRO C[C@H](CCO)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000593693650 1039079798 /nfs/dbraw/zinc/07/97/98/1039079798.db2.gz AXUSTPRUVQBVRQ-GFCCVEGCSA-N 1 0 320.414 3.526 20 5 DHBDRO CCC(CC)[C@H](CNCc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000603633403 1039095026 /nfs/dbraw/zinc/09/50/26/1039095026.db2.gz CESXEYBPYZKFKC-SFHVURJKSA-N 1 0 319.449 3.585 20 5 DHBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000592374383 1039169207 /nfs/dbraw/zinc/16/92/07/1039169207.db2.gz DIDUNRZGPVTLJQ-WVOQPWCKSA-N 1 0 304.390 3.544 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC4(CC4)CC3)nc2c1 ZINC000599673538 1039251720 /nfs/dbraw/zinc/25/17/20/1039251720.db2.gz SPQMIQUSPADIJW-UHFFFAOYSA-N 1 0 301.346 3.502 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000604484436 1039481286 /nfs/dbraw/zinc/48/12/86/1039481286.db2.gz MQYABAIHOVSDJW-SFHVURJKSA-N 1 0 312.369 3.680 20 5 DHBDRO CC(C)(NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000171672176 1039576966 /nfs/dbraw/zinc/57/69/66/1039576966.db2.gz UJYBXWSMGKTPJZ-UHFFFAOYSA-N 1 0 306.312 3.898 20 5 DHBDRO Cc1cnc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000594509704 1039813521 /nfs/dbraw/zinc/81/35/21/1039813521.db2.gz LCBQSOIWQRCFGU-HNNXBMFYSA-N 1 0 313.401 3.808 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H](C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000594516293 1039823530 /nfs/dbraw/zinc/82/35/30/1039823530.db2.gz CDTBZKAQBGFJQW-CQSZACIVSA-N 1 0 313.401 3.834 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000594523882 1039828807 /nfs/dbraw/zinc/82/88/07/1039828807.db2.gz UPXZNRBFZJQLFD-WRLNGNIRSA-N 1 0 316.401 3.689 20 5 DHBDRO COCc1csc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000594725079 1039899390 /nfs/dbraw/zinc/89/93/90/1039899390.db2.gz JJMGJSWQQWRRGQ-LLVKDONJSA-N 1 0 306.387 3.654 20 5 DHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000594968689 1039946703 /nfs/dbraw/zinc/94/67/03/1039946703.db2.gz HPKMZYXTHNSOBS-MQMHXKEQSA-N 1 0 316.357 3.512 20 5 DHBDRO CC(C)(C)OCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594974479 1039948260 /nfs/dbraw/zinc/94/82/60/1039948260.db2.gz MESQCGBDTOIGEU-UHFFFAOYSA-N 1 0 300.786 3.543 20 5 DHBDRO CCCC[N@H+](C)CC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000059394378 1039952191 /nfs/dbraw/zinc/95/21/91/1039952191.db2.gz LZNHJQXUDFJSMN-UHFFFAOYSA-N 1 0 323.412 3.682 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000595022535 1039988727 /nfs/dbraw/zinc/98/87/27/1039988727.db2.gz MKMOGVFYUWJWLU-WDEREUQCSA-N 1 0 314.332 3.832 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCc1cccs1 ZINC000595025358 1039995507 /nfs/dbraw/zinc/99/55/07/1039995507.db2.gz GQSYVFPLWOOSJU-GFCCVEGCSA-N 1 0 320.414 3.948 20 5 DHBDRO COc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000594999487 1040014577 /nfs/dbraw/zinc/01/45/77/1040014577.db2.gz TVABDQZVSJBIAI-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000595003290 1040014977 /nfs/dbraw/zinc/01/49/77/1040014977.db2.gz GAHSXOIROHGUMV-STQMWFEESA-N 1 0 318.373 3.868 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000595007391 1040016453 /nfs/dbraw/zinc/01/64/53/1040016453.db2.gz ILSDLHRYOKAHQA-OUCADQQQSA-N 1 0 324.446 3.928 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000594043808 1040016545 /nfs/dbraw/zinc/01/65/45/1040016545.db2.gz OYEKVMXBEROQCP-CABCVRRESA-N 1 0 312.797 3.686 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000595055125 1040020375 /nfs/dbraw/zinc/02/03/75/1040020375.db2.gz SWJNHMBQVGECFL-MNOVXSKESA-N 1 0 314.332 3.689 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCSCC2)cc1 ZINC000595028049 1040037257 /nfs/dbraw/zinc/03/72/57/1040037257.db2.gz SJXCIQSSFXNKOX-OAHLLOKOSA-N 1 0 308.447 3.793 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[C@H]1CCCCO1 ZINC000595031065 1040039608 /nfs/dbraw/zinc/03/96/08/1040039608.db2.gz DLXNNBDCWYYWJH-DZGCQCFKSA-N 1 0 322.405 3.603 20 5 DHBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595031431 1040039747 /nfs/dbraw/zinc/03/97/47/1040039747.db2.gz GPVYHGUMRSWHSU-NXEZZACHSA-N 1 0 320.311 3.985 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCCSCC1 ZINC000595035558 1040043059 /nfs/dbraw/zinc/04/30/59/1040043059.db2.gz WZECJPWAXDBHRE-ZDUSSCGKSA-N 1 0 314.838 3.666 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cscc1C ZINC000595047114 1040049088 /nfs/dbraw/zinc/04/90/88/1040049088.db2.gz RGTQRFHGJUBJPV-NSHDSACASA-N 1 0 306.387 3.824 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000595052531 1040053548 /nfs/dbraw/zinc/05/35/48/1040053548.db2.gz RLIVIOHNJNUSAZ-VHSXEESVSA-N 1 0 320.311 3.843 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000595103657 1040066987 /nfs/dbraw/zinc/06/69/87/1040066987.db2.gz NOQCJGKNEIUWGZ-IYOUNJFTSA-N 1 0 314.385 3.676 20 5 DHBDRO C[C@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(F)F ZINC000595078536 1040071970 /nfs/dbraw/zinc/07/19/70/1040071970.db2.gz DSABELUCFOJKAD-DZGCQCFKSA-N 1 0 310.344 3.551 20 5 DHBDRO C[C@]1(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000595080013 1040072021 /nfs/dbraw/zinc/07/20/21/1040072021.db2.gz IRBRHCQMAUDTNX-GJZGRUSLSA-N 1 0 310.344 3.997 20 5 DHBDRO C[C@@]1(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000595080017 1040072230 /nfs/dbraw/zinc/07/22/30/1040072230.db2.gz IRBRHCQMAUDTNX-LSDHHAIUSA-N 1 0 310.344 3.997 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@]1(C)CC1(F)F ZINC000595079529 1040073395 /nfs/dbraw/zinc/07/33/95/1040073395.db2.gz FKGUSHSSMXVHRK-WFASDCNBSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595078768 1040073456 /nfs/dbraw/zinc/07/34/56/1040073456.db2.gz ATVWWVAOXSQJDT-GDBMZVCRSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000595080029 1040073594 /nfs/dbraw/zinc/07/35/94/1040073594.db2.gz NKSITKLELOWLEQ-VMGRFDJRSA-N 1 0 304.390 3.519 20 5 DHBDRO CCSC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595092588 1040079865 /nfs/dbraw/zinc/07/98/65/1040079865.db2.gz LNKMYTBIEWQFCQ-NSHDSACASA-N 1 0 310.419 3.540 20 5 DHBDRO COc1ccc(CN(C)Cc2ccc(F)cc2[N+](=O)[O-])cc1C ZINC000595309363 1040105422 /nfs/dbraw/zinc/10/54/22/1040105422.db2.gz RQJWAMDGIIOKOF-UHFFFAOYSA-N 1 0 318.348 3.683 20 5 DHBDRO CCC(C)(C)[C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000595641459 1040210081 /nfs/dbraw/zinc/21/00/81/1040210081.db2.gz MTQGCNBLXFQABM-ZDUSSCGKSA-N 1 0 321.421 3.646 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000595755507 1040243231 /nfs/dbraw/zinc/24/32/31/1040243231.db2.gz NBZDOLPQUZSMEP-ZDUSSCGKSA-N 1 0 310.369 3.565 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)C2CCC(F)CC2)ccc1[N+](=O)[O-] ZINC000595821111 1040250081 /nfs/dbraw/zinc/25/00/81/1040250081.db2.gz WYFORWIUVWQGDE-XGNXJENSSA-N 1 0 310.369 3.610 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595785291 1040250677 /nfs/dbraw/zinc/25/06/77/1040250677.db2.gz DACGJCBYMJMLSA-YOEHRIQHSA-N 1 0 322.380 3.515 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595786422 1040251826 /nfs/dbraw/zinc/25/18/26/1040251826.db2.gz ABWJJNLNMRRKSG-RVKKMQEKSA-N 1 0 318.417 3.937 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595787535 1040252928 /nfs/dbraw/zinc/25/29/28/1040252928.db2.gz JRLNHUMXEHCXGW-KBXCAEBGSA-N 1 0 318.417 3.937 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595790440 1040259241 /nfs/dbraw/zinc/25/92/41/1040259241.db2.gz QJAVGOUCLIMJCQ-WMZOPIPTSA-N 1 0 318.417 3.684 20 5 DHBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccncc1 ZINC000596592981 1040505590 /nfs/dbraw/zinc/50/55/90/1040505590.db2.gz OFBIGJQOYMEHSX-KRWDZBQOSA-N 1 0 311.385 3.615 20 5 DHBDRO Cc1ncc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000596627413 1040526218 /nfs/dbraw/zinc/52/62/18/1040526218.db2.gz YOUCUTXYHBAWMI-UHFFFAOYSA-N 1 0 311.385 3.951 20 5 DHBDRO CC(C)(C)OCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000608836853 1040625099 /nfs/dbraw/zinc/62/50/99/1040625099.db2.gz KSWYFGBMIIERCJ-UHFFFAOYSA-N 1 0 318.373 3.760 20 5 DHBDRO CCC[NH+](CCC)CCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000609029527 1040664225 /nfs/dbraw/zinc/66/42/25/1040664225.db2.gz VGDTULFVWVZFHT-UHFFFAOYSA-N 1 0 321.421 3.744 20 5 DHBDRO Cc1ccc([C@H](CNc2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000064114229 1040670114 /nfs/dbraw/zinc/67/01/14/1040670114.db2.gz NRTMPAZAIZXELC-KRWDZBQOSA-N 1 0 317.364 3.757 20 5 DHBDRO C[C@H]([NH2+]CC[C@H]1CNc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000602020371 1040856365 /nfs/dbraw/zinc/85/63/65/1040856365.db2.gz KKDQEUCWSVNSRB-ZFWWWQNUSA-N 1 0 311.385 3.845 20 5 DHBDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122132037 1040982107 /nfs/dbraw/zinc/98/21/07/1040982107.db2.gz DFOBAJVBYGWPIH-KBXCAEBGSA-N 1 0 313.401 3.548 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCc4ccccc43)nc2c1 ZINC000602560661 1041097630 /nfs/dbraw/zinc/09/76/30/1041097630.db2.gz ZOIJACBPRQOHCB-CYBMUJFWSA-N 1 0 323.352 3.556 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCCSC1 ZINC000602564523 1041097702 /nfs/dbraw/zinc/09/77/02/1041097702.db2.gz ACIMEVJLKFRHKM-NSHDSACASA-N 1 0 320.336 3.599 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000602578152 1041111290 /nfs/dbraw/zinc/11/12/90/1041111290.db2.gz WAIDDFXXEITAAC-JTQLQIEISA-N 1 0 324.249 3.891 20 5 DHBDRO CSC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602640391 1041127382 /nfs/dbraw/zinc/12/73/82/1041127382.db2.gz QGYVNDSAVONYAZ-UHFFFAOYSA-N 1 0 320.336 3.599 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CS1 ZINC000602641037 1041127465 /nfs/dbraw/zinc/12/74/65/1041127465.db2.gz OXXUMDQQDDAOQW-KWQFWETISA-N 1 0 320.336 3.597 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1 ZINC000602691833 1041154933 /nfs/dbraw/zinc/15/49/33/1041154933.db2.gz UCTMPLDWPFLNRE-KWQFWETISA-N 1 0 320.336 3.597 20 5 DHBDRO CC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000761271811 1041159852 /nfs/dbraw/zinc/15/98/52/1041159852.db2.gz IOJGTQZKVXGGJX-UHFFFAOYSA-N 1 0 316.405 3.865 20 5 DHBDRO CCC(CC)[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602803360 1041226228 /nfs/dbraw/zinc/22/62/28/1041226228.db2.gz XGEOKRAXJPZIPI-INIZCTEOSA-N 1 0 316.405 3.595 20 5 DHBDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000598619157 1041362826 /nfs/dbraw/zinc/36/28/26/1041362826.db2.gz BZLHQFQKDOBSCH-KRWDZBQOSA-N 1 0 311.385 3.678 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000090527802 185300712 /nfs/dbraw/zinc/30/07/12/185300712.db2.gz FMOIEZSJIFVZGK-PXAZEXFGSA-N 1 0 316.405 3.688 20 5 DHBDRO CC1(C)C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000180368685 334947596 /nfs/dbraw/zinc/94/75/96/334947596.db2.gz NPMWMQFQWFDYAW-HEWZJLJBSA-N 1 0 304.390 3.544 20 5 DHBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000104680825 194026478 /nfs/dbraw/zinc/02/64/78/194026478.db2.gz ZDYYFLIUOGHVHV-UHFFFAOYSA-N 1 0 303.362 3.523 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000272409641 130027162 /nfs/dbraw/zinc/02/71/62/130027162.db2.gz FOQPBSMSGHVPKD-KBPBESRZSA-N 1 0 314.389 3.567 20 5 DHBDRO COC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272784245 130063967 /nfs/dbraw/zinc/06/39/67/130063967.db2.gz IGDPQEVSHLPMOG-UHFFFAOYSA-N 1 0 312.797 3.638 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000274180835 130213901 /nfs/dbraw/zinc/21/39/01/130213901.db2.gz FJIALBJPTYHEJH-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO COc1ccsc1[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274614572 130249690 /nfs/dbraw/zinc/24/96/90/130249690.db2.gz UOYMFDWSDAGOBJ-JTQLQIEISA-N 1 0 322.386 3.524 20 5 DHBDRO CCOC1CC(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000285935910 131211145 /nfs/dbraw/zinc/21/11/45/131211145.db2.gz JBTLAIHJICKNAW-UHFFFAOYSA-N 1 0 306.406 3.620 20 5 DHBDRO CCOC(=O)CC(C)(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000287682079 131294121 /nfs/dbraw/zinc/29/41/21/131294121.db2.gz IFBCRNXVNRXYBR-ZDUSSCGKSA-N 1 0 322.405 3.615 20 5 DHBDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596536 131749239 /nfs/dbraw/zinc/74/92/39/131749239.db2.gz FUTZZWHYDZMQFQ-NWDGAFQWSA-N 1 0 315.373 3.597 20 5 DHBDRO Cc1cc(C)cc(OCC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000518759701 332896645 /nfs/dbraw/zinc/89/66/45/332896645.db2.gz AOBDJZVCQZRUTJ-UHFFFAOYSA-N 1 0 314.385 3.689 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000518275216 332005204 /nfs/dbraw/zinc/00/52/04/332005204.db2.gz AQRICEOITMCQBV-LSDHHAIUSA-N 1 0 306.406 3.908 20 5 DHBDRO CCC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000426288232 332012614 /nfs/dbraw/zinc/01/26/14/332012614.db2.gz BKBZHWOWZHYUBY-KRWDZBQOSA-N 1 0 318.417 3.769 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1c[nH]c2ccccc12 ZINC000409455212 332032702 /nfs/dbraw/zinc/03/27/02/332032702.db2.gz UBBAHPYDNDDSQZ-ALCCZGGFSA-N 1 0 321.380 3.922 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCCC2)CC1 ZINC000569532742 332127113 /nfs/dbraw/zinc/12/71/13/332127113.db2.gz XOOFOPFPLGWNJP-UHFFFAOYSA-N 1 0 304.390 3.760 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CCCC3)CC2)cc1 ZINC000573590088 332142472 /nfs/dbraw/zinc/14/24/72/332142472.db2.gz ACZLDVQCWQMUSP-UHFFFAOYSA-N 1 0 304.390 3.630 20 5 DHBDRO COc1ccccc1CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182792394 332191959 /nfs/dbraw/zinc/19/19/59/332191959.db2.gz SQLGIUMMGXGAGO-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000584302234 332230419 /nfs/dbraw/zinc/23/04/19/332230419.db2.gz XDKTZIBBLGFRHX-IRXDYDNUSA-N 1 0 312.344 3.998 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CCc1ccc(F)cc1Cl ZINC000564529667 332551684 /nfs/dbraw/zinc/55/16/84/332551684.db2.gz VYMIIMXANNVFPA-UHFFFAOYSA-N 1 0 322.767 3.762 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOCC(F)(F)F ZINC000151828178 332621009 /nfs/dbraw/zinc/62/10/09/332621009.db2.gz YOTDTBOWIJUPQS-NSHDSACASA-N 1 0 320.311 3.523 20 5 DHBDRO Cc1c(C[NH2+]Cc2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000318358293 332690806 /nfs/dbraw/zinc/69/08/06/332690806.db2.gz YOZZHJBYVDMVHY-UHFFFAOYSA-N 1 0 310.275 3.610 20 5 DHBDRO Cc1cc(NCCc2cscn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302193512 332984593 /nfs/dbraw/zinc/98/45/93/332984593.db2.gz RSYJOOGMCBCQTA-UHFFFAOYSA-N 1 0 314.370 3.563 20 5 DHBDRO C[NH+](C)Cc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000466417526 333019327 /nfs/dbraw/zinc/01/93/27/333019327.db2.gz QORNFKMWCXOLIW-UHFFFAOYSA-N 1 0 319.792 3.922 20 5 DHBDRO CC[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000466445798 333021243 /nfs/dbraw/zinc/02/12/43/333021243.db2.gz JYHLMSUUMPDCPT-RISCZKNCSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1ncsc1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181841561 333034322 /nfs/dbraw/zinc/03/43/22/333034322.db2.gz JUMHSYUJMVSCIC-LLVKDONJSA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000314069986 333085764 /nfs/dbraw/zinc/08/57/64/333085764.db2.gz SSYCSSRLIDMEQJ-GDBMZVCRSA-N 1 0 307.438 3.530 20 5 DHBDRO C[C@H](NCC1([NH+](C)C)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000314358235 333104971 /nfs/dbraw/zinc/10/49/71/333104971.db2.gz WBYRZRBOXXNOCO-AWEZNQCLSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1cscc1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000387750942 333170104 /nfs/dbraw/zinc/17/01/04/333170104.db2.gz CUTHVUYIWFGQGS-UHFFFAOYSA-N 1 0 313.382 3.855 20 5 DHBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000537985174 333171301 /nfs/dbraw/zinc/17/13/01/333171301.db2.gz VKKKRORJFRBCAI-YVEFUNNKSA-N 1 0 318.348 3.772 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(F)c1 ZINC000319273472 333279519 /nfs/dbraw/zinc/27/95/19/333279519.db2.gz DJFPXMNRKKGWGU-AWEZNQCLSA-N 1 0 300.333 3.723 20 5 DHBDRO C[C@H](CCc1ccco1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000538300840 333335727 /nfs/dbraw/zinc/33/57/27/333335727.db2.gz GQRIVAXRURDMCN-HJHHMULASA-N 1 0 300.358 3.812 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2SCCc3ccccc32)c1 ZINC000531389872 333349050 /nfs/dbraw/zinc/34/90/50/333349050.db2.gz PPZTZSHOYVCYKY-KRWDZBQOSA-N 1 0 314.410 3.715 20 5 DHBDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000188662408 333384609 /nfs/dbraw/zinc/38/46/09/333384609.db2.gz WCYCIJGQORXQLS-CXAGYDPISA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000531734839 333551322 /nfs/dbraw/zinc/55/13/22/333551322.db2.gz TWJZPHFRKAFJMP-SDNTUTLCSA-N 1 0 304.390 3.511 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414514497 334003600 /nfs/dbraw/zinc/00/36/00/334003600.db2.gz LYWNDZYKDYZHJM-IPYPFGDCSA-N 1 0 306.406 3.621 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@H]2C[C@@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414514499 334003601 /nfs/dbraw/zinc/00/36/01/334003601.db2.gz LYWNDZYKDYZHJM-UMVBOHGHSA-N 1 0 306.406 3.621 20 5 DHBDRO COC1([C@@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000414529282 334008766 /nfs/dbraw/zinc/00/87/66/334008766.db2.gz VIAWMCKOUSTKJS-CYBMUJFWSA-N 1 0 306.406 3.765 20 5 DHBDRO COc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000271652206 334024933 /nfs/dbraw/zinc/02/49/33/334024933.db2.gz JGSZYGMDIXLPCN-JTQLQIEISA-N 1 0 321.764 3.503 20 5 DHBDRO C[C@H]([NH3+])c1ccc(CNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000414811194 334105878 /nfs/dbraw/zinc/10/58/78/334105878.db2.gz PDHTWTWBYWAONH-NSHDSACASA-N 1 0 319.792 3.558 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414968356 334215216 /nfs/dbraw/zinc/21/52/16/334215216.db2.gz CIHURNOILKZULV-ZZXKWVIFSA-N 1 0 323.396 3.756 20 5 DHBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295066113 334216873 /nfs/dbraw/zinc/21/68/73/334216873.db2.gz OVSUVUKTAGFSMS-QMMMGPOBSA-N 1 0 321.204 3.541 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1OC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000296273514 334231092 /nfs/dbraw/zinc/23/10/92/334231092.db2.gz KLGLPBXIAMMCFI-CYBMUJFWSA-N 1 0 312.369 3.987 20 5 DHBDRO C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000388773371 334269946 /nfs/dbraw/zinc/26/99/46/334269946.db2.gz GFWUWAVVRHWXPO-MWLCHTKSSA-N 1 0 317.311 3.508 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187858282 334287550 /nfs/dbraw/zinc/28/75/50/334287550.db2.gz HOOMGJVBUYTCNC-JSGCOSHPSA-N 1 0 322.405 3.602 20 5 DHBDRO C[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000531938547 334299516 /nfs/dbraw/zinc/29/95/16/334299516.db2.gz OBFWXWWUIXZRGA-JKIFEVAISA-N 1 0 306.406 3.841 20 5 DHBDRO CC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000417311074 334704941 /nfs/dbraw/zinc/70/49/41/334704941.db2.gz NMQIQPKRDGVPMZ-KRWDZBQOSA-N 1 0 318.417 3.769 20 5 DHBDRO Cc1ncc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417311933 334705094 /nfs/dbraw/zinc/70/50/94/334705094.db2.gz MPZGGCXNTRIAJK-MRXNPFEDSA-N 1 0 317.414 3.917 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)CCCC2 ZINC000417342818 334705797 /nfs/dbraw/zinc/70/57/97/334705797.db2.gz NHMNTHAXWSERNL-ZTFGCOKTSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCOC1)CCCC2 ZINC000417354601 334707227 /nfs/dbraw/zinc/70/72/27/334707227.db2.gz ZODSDEXYZRWJTL-RDTXWAMCSA-N 1 0 318.417 3.769 20 5 DHBDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425343277 334803688 /nfs/dbraw/zinc/80/36/88/334803688.db2.gz RMWGKUYQTQMVBV-RYUDHWBXSA-N 1 0 320.336 3.597 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3ccc(F)cc32)c1 ZINC000344284148 335236018 /nfs/dbraw/zinc/23/60/18/335236018.db2.gz CAFHTUDOPHCJBE-GOSISDBHSA-N 1 0 314.360 3.944 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@H](O)C(C)C ZINC000468623176 335351953 /nfs/dbraw/zinc/35/19/53/335351953.db2.gz XOVHROPMYIPWLN-CRPZLVSXSA-N 1 0 320.433 3.631 20 5 DHBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444687463 338482654 /nfs/dbraw/zinc/48/26/54/338482654.db2.gz VDGYSJIMJFMHFN-UONOGXRCSA-N 1 0 316.405 3.776 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000348638196 335600777 /nfs/dbraw/zinc/60/07/77/335600777.db2.gz DZVCXPWDRGHDIC-LRDDRELGSA-N 1 0 315.373 3.800 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000520663311 336003442 /nfs/dbraw/zinc/00/34/42/336003442.db2.gz DWDKSBDWWDKHGG-DOMZBBRYSA-N 1 0 321.421 3.645 20 5 DHBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000583640975 336012629 /nfs/dbraw/zinc/01/26/29/336012629.db2.gz ADJLJBSRMMIHQE-OAHLLOKOSA-N 1 0 311.385 3.545 20 5 DHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC2=CCCCC2)n1 ZINC000331691470 336144678 /nfs/dbraw/zinc/14/46/78/336144678.db2.gz BIZKTTLMRQIIPI-JKSUJKDBSA-N 1 0 318.421 3.755 20 5 DHBDRO COCC[C@@H]1CCCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000332233058 336164215 /nfs/dbraw/zinc/16/42/15/336164215.db2.gz FNTUOAGIQOZEJB-HNNXBMFYSA-N 1 0 306.406 3.542 20 5 DHBDRO CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970438 336184291 /nfs/dbraw/zinc/18/42/91/336184291.db2.gz BYGVNWKOAFHLBC-UHFFFAOYSA-N 1 0 300.358 3.626 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2cccnc21 ZINC000352543411 336223578 /nfs/dbraw/zinc/22/35/78/336223578.db2.gz FDLNWWHTOJTRHO-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCO[C@@H](C)C1 ZINC000352717260 336232030 /nfs/dbraw/zinc/23/20/30/336232030.db2.gz HXCSRZLOFNDIBS-GOEBONIOSA-N 1 0 306.406 3.620 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N1CCC(C)CC1 ZINC000532492293 336250545 /nfs/dbraw/zinc/25/05/45/336250545.db2.gz LSMXOJFWMVQYSV-CVEARBPZSA-N 1 0 319.449 3.674 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2ccccc2)CCC1 ZINC000532658708 336265120 /nfs/dbraw/zinc/26/51/20/336265120.db2.gz ZVGRDUMNULHIFD-UHFFFAOYSA-N 1 0 312.369 3.643 20 5 DHBDRO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H]1CCCCO1 ZINC000532714507 336267874 /nfs/dbraw/zinc/26/78/74/336267874.db2.gz OYNKIFQZMULRSI-MRXNPFEDSA-N 1 0 306.406 3.684 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192958657 336286003 /nfs/dbraw/zinc/28/60/03/336286003.db2.gz IIHMUQXWDINZJC-INIZCTEOSA-N 1 0 311.385 3.529 20 5 DHBDRO COCCC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000192959165 336286070 /nfs/dbraw/zinc/28/60/70/336286070.db2.gz QPMUGOHKPPBTEE-QGZVFWFLSA-N 1 0 318.417 3.769 20 5 DHBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000301088905 336289433 /nfs/dbraw/zinc/28/94/33/336289433.db2.gz LUFSOFQKKIGCFO-LBPRGKRZSA-N 1 0 317.414 3.515 20 5 DHBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000301139116 336291835 /nfs/dbraw/zinc/29/18/35/336291835.db2.gz GCDUMWIUWAWTJI-MRXNPFEDSA-N 1 0 315.373 3.745 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+](C)C ZINC000301185486 336293819 /nfs/dbraw/zinc/29/38/19/336293819.db2.gz PAGDZRLDEJIACM-ZDUSSCGKSA-N 1 0 305.403 3.680 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1cccs1)[NH+](C)C ZINC000301442548 336307101 /nfs/dbraw/zinc/30/71/01/336307101.db2.gz NRYJXOWEQXCPFN-CQSZACIVSA-N 1 0 305.403 3.680 20 5 DHBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301755717 336327851 /nfs/dbraw/zinc/32/78/51/336327851.db2.gz DGRYSSOVDZJEKK-CYBMUJFWSA-N 1 0 309.385 3.514 20 5 DHBDRO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301970287 336340559 /nfs/dbraw/zinc/34/05/59/336340559.db2.gz DHPNWWIUAIUYNL-FUHWJXTLSA-N 1 0 311.385 3.761 20 5 DHBDRO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301970286 336340581 /nfs/dbraw/zinc/34/05/81/336340581.db2.gz DHPNWWIUAIUYNL-AEFFLSMTSA-N 1 0 311.385 3.761 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000301986412 336341445 /nfs/dbraw/zinc/34/14/45/336341445.db2.gz MHQRJUSWOJJNMQ-JKSUJKDBSA-N 1 0 317.433 3.686 20 5 DHBDRO Cc1cc(N2C[C@@H](C)S[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302159748 336351504 /nfs/dbraw/zinc/35/15/04/336351504.db2.gz JOVVVSMFKHGAPC-TXEJJXNPSA-N 1 0 317.414 3.782 20 5 DHBDRO C[N@@H+]1CC[C@H](Nc2cccc(F)c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000302797414 336369486 /nfs/dbraw/zinc/36/94/86/336369486.db2.gz ANMPALCOCWECLY-JKSUJKDBSA-N 1 0 315.348 3.591 20 5 DHBDRO COc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000320918840 336385125 /nfs/dbraw/zinc/38/51/25/336385125.db2.gz DWNKOBZLYVLIAD-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353105655 336402645 /nfs/dbraw/zinc/40/26/45/336402645.db2.gz BMPYQRDENHLBCY-GFCCVEGCSA-N 1 0 310.357 3.630 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCCCO1)CCC2 ZINC000193288210 336696250 /nfs/dbraw/zinc/69/62/50/336696250.db2.gz SLDULBASLSCBSW-WMZOPIPTSA-N 1 0 318.417 3.911 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3ccc(O)cc32)c1 ZINC000360998602 336731729 /nfs/dbraw/zinc/73/17/29/336731729.db2.gz PQRMCKBPKPIQSM-GOSISDBHSA-N 1 0 312.369 3.510 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000174349428 337140857 /nfs/dbraw/zinc/14/08/57/337140857.db2.gz JKLRWVBRFQKMLR-NEPJUHHUSA-N 1 0 300.449 3.762 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000180651051 337176949 /nfs/dbraw/zinc/17/69/49/337176949.db2.gz DYWDWMNGZFEHBT-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000582855875 337211162 /nfs/dbraw/zinc/21/11/62/337211162.db2.gz FQYDOOAGJNMVCZ-OAHLLOKOSA-N 1 0 316.332 3.520 20 5 DHBDRO CCOc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000584378148 337232762 /nfs/dbraw/zinc/23/27/62/337232762.db2.gz YMSOVLYQLJZQQU-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000514679918 337389487 /nfs/dbraw/zinc/38/94/87/337389487.db2.gz RCYRJBPBKRQNRD-SJLPKXTDSA-N 1 0 309.369 3.718 20 5 DHBDRO C[C@@H]([N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000532928542 337393175 /nfs/dbraw/zinc/39/31/75/337393175.db2.gz NJPISLIOQGEAJW-LLVKDONJSA-N 1 0 318.377 3.511 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000195147185 337465516 /nfs/dbraw/zinc/46/55/16/337465516.db2.gz PUCZXLSBOFNATP-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC2CCC2)CC1 ZINC000419286916 337478287 /nfs/dbraw/zinc/47/82/87/337478287.db2.gz PCBXLQAOVLJFPF-CYBMUJFWSA-N 1 0 304.390 3.689 20 5 DHBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420272212 337498137 /nfs/dbraw/zinc/49/81/37/337498137.db2.gz DFCSTPBIMWETPB-VHSXEESVSA-N 1 0 317.311 3.543 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C12CCC2 ZINC000571895868 337581311 /nfs/dbraw/zinc/58/13/11/337581311.db2.gz XFYGHCYMZAFUKN-USXIJHARSA-N 1 0 316.401 3.519 20 5 DHBDRO Cc1c([C@@H](C)NCC2([NH3+])CCCCCC2)cccc1[N+](=O)[O-] ZINC000423201616 337703690 /nfs/dbraw/zinc/70/36/90/337703690.db2.gz PCYBTYAKGDDULU-CQSZACIVSA-N 1 0 305.422 3.606 20 5 DHBDRO CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000089512484 337870489 /nfs/dbraw/zinc/87/04/89/337870489.db2.gz LWWMQMIIQMDCNR-CQSZACIVSA-N 1 0 300.358 3.991 20 5 DHBDRO Cc1cccc(OCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000315034174 337979450 /nfs/dbraw/zinc/97/94/50/337979450.db2.gz XJPDNJPNJAEEGH-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO CCC1CCC(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000315064524 337980297 /nfs/dbraw/zinc/98/02/97/337980297.db2.gz HRKDACZRUPOANS-UHFFFAOYSA-N 1 0 306.406 3.909 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1COCc2ccccc21 ZINC000515221755 337982475 /nfs/dbraw/zinc/98/24/75/337982475.db2.gz OSSQGYPWDXYMMB-FZKQIMNGSA-N 1 0 312.369 3.825 20 5 DHBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000516307979 338010201 /nfs/dbraw/zinc/01/02/01/338010201.db2.gz YDGUZVKBZSFEBJ-UHFFFAOYSA-N 1 0 320.414 3.946 20 5 DHBDRO Cc1cc(N(C)Cc2cccc(O)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000516363858 338011976 /nfs/dbraw/zinc/01/19/76/338011976.db2.gz XXEVJBMKDBIIRK-UHFFFAOYSA-N 1 0 323.352 3.793 20 5 DHBDRO CC(C)([NH2+]CCOc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000429239491 338074353 /nfs/dbraw/zinc/07/43/53/338074353.db2.gz QRRZCZPEFDWLKX-UHFFFAOYSA-N 1 0 318.348 3.638 20 5 DHBDRO COC1(C[C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000429419453 338080341 /nfs/dbraw/zinc/08/03/41/338080341.db2.gz AYPPGOHOZJAJSK-KBPBESRZSA-N 1 0 306.406 3.902 20 5 DHBDRO Cc1c(C[NH2+]CCSCc2ccccc2)cccc1[N+](=O)[O-] ZINC000430762826 338114162 /nfs/dbraw/zinc/11/41/62/338114162.db2.gz NAMYSNQOUVQODJ-UHFFFAOYSA-N 1 0 316.426 3.926 20 5 DHBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000433046843 338178270 /nfs/dbraw/zinc/17/82/70/338178270.db2.gz QPHPXSHNTALTBI-PWSUYJOCSA-N 1 0 314.332 3.817 20 5 DHBDRO CC[NH+](CC)C[C@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163670 338183560 /nfs/dbraw/zinc/18/35/60/338183560.db2.gz CBTQTUBXLNLGCO-GUYCJALGSA-N 1 0 319.449 3.637 20 5 DHBDRO CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433222804 338186475 /nfs/dbraw/zinc/18/64/75/338186475.db2.gz XJVFBNSKNRWSPR-CVEARBPZSA-N 1 0 320.433 3.704 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CC[C@H]2CCCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433227601 338186577 /nfs/dbraw/zinc/18/65/77/338186577.db2.gz SNJOCBHPEABKIV-PBHICJAKSA-N 1 0 318.417 3.866 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CC[C@H]2CCCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433227602 338186681 /nfs/dbraw/zinc/18/66/81/338186681.db2.gz SNJOCBHPEABKIV-RHSMWYFYSA-N 1 0 318.417 3.866 20 5 DHBDRO CC(C)(CO)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433254105 338188052 /nfs/dbraw/zinc/18/80/52/338188052.db2.gz WCMJYNDZNFRFMG-INIZCTEOSA-N 1 0 320.433 3.706 20 5 DHBDRO COc1ccccc1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000154556255 338245833 /nfs/dbraw/zinc/24/58/33/338245833.db2.gz WSBGYMORHUKWFF-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO O=[N+]([O-])c1cc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)cs1 ZINC000435726557 338246359 /nfs/dbraw/zinc/24/63/59/338246359.db2.gz QTCGQJWWPVXLSO-OAHLLOKOSA-N 1 0 323.462 3.543 20 5 DHBDRO CSc1ccc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000435742197 338247465 /nfs/dbraw/zinc/24/74/65/338247465.db2.gz TVPHFIFITAIITC-UHFFFAOYSA-N 1 0 302.399 3.649 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCCCOc1ccccc1 ZINC000438091511 338330962 /nfs/dbraw/zinc/33/09/62/338330962.db2.gz ZCYMZNGOFCEMDE-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000438472558 338345056 /nfs/dbraw/zinc/34/50/56/338345056.db2.gz PTDSDZZOVNBPEU-LBPRGKRZSA-N 1 0 308.275 3.801 20 5 DHBDRO CCO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000194464681 338532438 /nfs/dbraw/zinc/53/24/38/338532438.db2.gz KXRJPYBBSZJAHY-SFHVURJKSA-N 1 0 314.385 3.771 20 5 DHBDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446829939 338537244 /nfs/dbraw/zinc/53/72/44/338537244.db2.gz MXQVMPPLFHYSHK-TZMCWYRMSA-N 1 0 314.389 3.553 20 5 DHBDRO C[C@H](CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000446846182 338538329 /nfs/dbraw/zinc/53/83/29/338538329.db2.gz WKXSNIRRRMKYCO-CYBMUJFWSA-N 1 0 324.384 3.755 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCS1)CCC2 ZINC000447599002 338561142 /nfs/dbraw/zinc/56/11/42/338561142.db2.gz JJUFILNURYGPNE-GOEBONIOSA-N 1 0 306.431 3.848 20 5 DHBDRO C[C@@H](Cc1cccs1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449076132 338591059 /nfs/dbraw/zinc/59/10/59/338591059.db2.gz SNZQQURFNPGKDQ-STQMWFEESA-N 1 0 304.415 3.808 20 5 DHBDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348300 338615996 /nfs/dbraw/zinc/61/59/96/338615996.db2.gz LQYOELUYSBNRFN-YOEHRIQHSA-N 1 0 314.385 3.503 20 5 DHBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1(O)CCCC1 ZINC000449737724 338649465 /nfs/dbraw/zinc/64/94/65/338649465.db2.gz TVZATAZRUQDXLS-VQHVLOKHSA-N 1 0 318.417 3.529 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000450686214 338699157 /nfs/dbraw/zinc/69/91/57/338699157.db2.gz MSHBWYSZYGXNLV-GDBMZVCRSA-N 1 0 314.385 3.503 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000453131941 338797704 /nfs/dbraw/zinc/79/77/04/338797704.db2.gz MDNXNOPNLMMLBX-ARFHVFGLSA-N 1 0 304.390 3.593 20 5 DHBDRO CC[C@H]([NH2+][C@H]1C[C@@H](OC)C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000453131942 338797742 /nfs/dbraw/zinc/79/77/42/338797742.db2.gz MDNXNOPNLMMLBX-HRCADAONSA-N 1 0 304.390 3.593 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000453246153 338813616 /nfs/dbraw/zinc/81/36/16/338813616.db2.gz MJKBGZGAYHHKMJ-FPMFFAJLSA-N 1 0 312.360 3.939 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)C2(O)CCCC2)cccc1[N+](=O)[O-] ZINC000453366201 338832503 /nfs/dbraw/zinc/83/25/03/338832503.db2.gz CWRTXNLKFOWTOM-AWEZNQCLSA-N 1 0 320.433 3.885 20 5 DHBDRO COCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000453388853 338836480 /nfs/dbraw/zinc/83/64/80/338836480.db2.gz RCTKMNQXBBMSQZ-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000453390446 338836747 /nfs/dbraw/zinc/83/67/47/338836747.db2.gz XPYMFDVSPVDHKH-DYVFJYSZSA-N 1 0 318.417 3.724 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CCc1cccc(Cl)c1 ZINC000459426341 339028529 /nfs/dbraw/zinc/02/85/29/339028529.db2.gz SXGMTSLRZZBLOV-UHFFFAOYSA-N 1 0 304.777 3.623 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CCC(F)(F)CC1 ZINC000459455140 339030183 /nfs/dbraw/zinc/03/01/83/339030183.db2.gz CPCFXSPCSKJOSR-UHFFFAOYSA-N 1 0 312.360 3.895 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459652865 339040693 /nfs/dbraw/zinc/04/06/93/339040693.db2.gz QZFUYBGFWNLBMX-STQMWFEESA-N 1 0 317.364 3.801 20 5 DHBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000459746790 339045918 /nfs/dbraw/zinc/04/59/18/339045918.db2.gz VCNGQCUZOUNRCM-CVEARBPZSA-N 1 0 316.357 3.512 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(C4CCC4)CCC3)nc2c1 ZINC000459780482 339048211 /nfs/dbraw/zinc/04/82/11/339048211.db2.gz VOSFIILLGFGGQE-UHFFFAOYSA-N 1 0 301.346 3.548 20 5 DHBDRO Cc1cc(NC2CC[NH+](C3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461947788 339069476 /nfs/dbraw/zinc/06/94/76/339069476.db2.gz KVSYBAFOFCTZQJ-UHFFFAOYSA-N 1 0 321.396 3.861 20 5 DHBDRO COc1cc(NCCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000462789917 339088782 /nfs/dbraw/zinc/08/87/82/339088782.db2.gz LKANHNHQQHJMIT-CQSZACIVSA-N 1 0 321.421 3.670 20 5 DHBDRO COc1cc(NCCCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000462839935 339093681 /nfs/dbraw/zinc/09/36/81/339093681.db2.gz PCSRYJABWYEQSO-UHFFFAOYSA-N 1 0 321.421 3.672 20 5 DHBDRO Cc1oc2ccccc2c1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000463730730 339124841 /nfs/dbraw/zinc/12/48/41/339124841.db2.gz PNEJBKUFTZMMFA-UHFFFAOYSA-N 1 0 310.353 3.982 20 5 DHBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000464499009 339143621 /nfs/dbraw/zinc/14/36/21/339143621.db2.gz LRNNUIQHHPLEFE-CORIIIEPSA-N 1 0 322.380 3.753 20 5 DHBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCc1cccs1 ZINC000464755099 339151293 /nfs/dbraw/zinc/15/12/93/339151293.db2.gz FXVPDYIEIWEZJZ-UHFFFAOYSA-N 1 0 320.414 3.600 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC000466362548 339200736 /nfs/dbraw/zinc/20/07/36/339200736.db2.gz BPKSKAMESXOSMY-HYVNUMGLSA-N 1 0 318.417 3.588 20 5 DHBDRO Cc1ccc(NCc2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000466432325 339204820 /nfs/dbraw/zinc/20/48/20/339204820.db2.gz WEBLYSJGYPSECI-UHFFFAOYSA-N 1 0 313.401 3.619 20 5 DHBDRO C[C@@H](CCc1ccccc1F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000468447738 339262993 /nfs/dbraw/zinc/26/29/93/339262993.db2.gz PSULPHALPRNHBO-AWEZNQCLSA-N 1 0 316.376 3.887 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)C(F)(F)F ZINC000468601554 339266905 /nfs/dbraw/zinc/26/69/05/339266905.db2.gz UZSIOPDHMVLBSC-RUYJGKKWSA-N 1 0 302.296 3.786 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)C(F)(F)F ZINC000468601555 339266910 /nfs/dbraw/zinc/26/69/10/339266910.db2.gz UZSIOPDHMVLBSC-SDKXAQGSSA-N 1 0 302.296 3.786 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[C@H]1CCCCO1 ZINC000468616731 339267217 /nfs/dbraw/zinc/26/72/17/339267217.db2.gz BPTYABHGZHPFJA-NKAIQICCSA-N 1 0 318.417 3.937 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCSCC(C)C ZINC000468623548 339267297 /nfs/dbraw/zinc/26/72/97/339267297.db2.gz UCLBFZUOKCQJSF-NTEUORMPSA-N 1 0 308.447 3.977 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC1CCCC1 ZINC000468630436 339267493 /nfs/dbraw/zinc/26/74/93/339267493.db2.gz HRXNLPCWFKJHAY-KAMYIIQDSA-N 1 0 304.390 3.547 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC(F)(F)F ZINC000468731837 339269315 /nfs/dbraw/zinc/26/93/15/339269315.db2.gz DFOZCNWTHWSQGQ-FLIBITNWSA-N 1 0 302.296 3.930 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CCO)CC(C)C ZINC000468735308 339269470 /nfs/dbraw/zinc/26/94/70/339269470.db2.gz SCEITVNWESUZPY-MJSCBBHESA-N 1 0 320.433 3.632 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc2c(c1)COC2 ZINC000468737294 339269605 /nfs/dbraw/zinc/26/96/05/339269605.db2.gz FFGPNVPHNFFWHN-AUWJEWJLSA-N 1 0 324.380 3.818 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000470178814 339313004 /nfs/dbraw/zinc/31/30/04/339313004.db2.gz OKBIKNHOGNSZCO-PTNGSMBKSA-N 1 0 316.401 3.643 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC1CCCC1 ZINC000473733449 339391020 /nfs/dbraw/zinc/39/10/20/339391020.db2.gz IFOUHIQXPJTDMH-SFHVURJKSA-N 1 0 320.433 3.746 20 5 DHBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000474799148 339426734 /nfs/dbraw/zinc/42/67/34/339426734.db2.gz NIYNGFKDUSSHEZ-AEFFLSMTSA-N 1 0 320.433 3.712 20 5 DHBDRO C[C@@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000480604621 339579128 /nfs/dbraw/zinc/57/91/28/339579128.db2.gz YXNJAZOZIUIHLF-BZUAXINKSA-N 1 0 319.449 3.613 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)Oc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000483549095 339668696 /nfs/dbraw/zinc/66/86/96/339668696.db2.gz XKIRVDQZYPCJQJ-QWHCGFSZSA-N 1 0 318.348 3.852 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000483830594 339675334 /nfs/dbraw/zinc/67/53/34/339675334.db2.gz CWYJNVINFWNONA-IAOVAPTHSA-N 1 0 318.417 3.983 20 5 DHBDRO CCCC[C@H](CC)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488983721 339799083 /nfs/dbraw/zinc/79/90/83/339799083.db2.gz OYERFLLPQYHUTB-AWEZNQCLSA-N 1 0 308.426 3.645 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1C ZINC000494974802 339968170 /nfs/dbraw/zinc/96/81/70/339968170.db2.gz CZYXPOGAODKLGQ-VYUIOLGVSA-N 1 0 302.296 3.748 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000495440637 339984694 /nfs/dbraw/zinc/98/46/94/339984694.db2.gz VIMCEQYWUQGJBT-KRWDZBQOSA-N 1 0 314.360 3.845 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCc2ccccc2C1 ZINC000498921535 340026050 /nfs/dbraw/zinc/02/60/50/340026050.db2.gz FPMOFPSLDSXCHX-UHFFFAOYSA-N 1 0 312.369 3.552 20 5 DHBDRO CC[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500101508 340050317 /nfs/dbraw/zinc/05/03/17/340050317.db2.gz YMVHQTNHWDUPIE-CQSZACIVSA-N 1 0 319.405 3.578 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000500564899 340062398 /nfs/dbraw/zinc/06/23/98/340062398.db2.gz HDKUGAWTNMBGFP-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000503684133 340133448 /nfs/dbraw/zinc/13/34/48/340133448.db2.gz HRMWTSLMHGYEPA-CQSZACIVSA-N 1 0 300.333 3.723 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1cccc([N+](=O)[O-])c1 ZINC000503953356 340138487 /nfs/dbraw/zinc/13/84/87/340138487.db2.gz ODSQEYAYLRSRMI-ZDUSSCGKSA-N 1 0 309.369 3.969 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCO1 ZINC000504905923 340155683 /nfs/dbraw/zinc/15/56/83/340155683.db2.gz PSDLHCJKRZOXGV-KGLIPLIRSA-N 1 0 324.446 3.624 20 5 DHBDRO CC(C)[N@H+](CCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000506787779 340201795 /nfs/dbraw/zinc/20/17/95/340201795.db2.gz BQIMWGGCVDTPIJ-UHFFFAOYSA-N 1 0 320.414 3.526 20 5 DHBDRO Cc1cc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000506948323 340204199 /nfs/dbraw/zinc/20/41/99/340204199.db2.gz WNBBNNSBDRZODZ-INMHGKMJSA-N 1 0 317.433 3.745 20 5 DHBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)C ZINC000507156597 340210144 /nfs/dbraw/zinc/21/01/44/340210144.db2.gz UEQJJPDVNFUBEK-UHFFFAOYSA-N 1 0 302.321 3.674 20 5 DHBDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507209316 340213554 /nfs/dbraw/zinc/21/35/54/340213554.db2.gz IPSIWIKIRHCHPF-SNVBAGLBSA-N 1 0 302.321 3.673 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(OC)CCC1 ZINC000507444743 340219866 /nfs/dbraw/zinc/21/98/66/340219866.db2.gz UOWRCLOVXYQTNV-CYBMUJFWSA-N 1 0 324.446 3.624 20 5 DHBDRO CC[C@@H]1C[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000507791520 340231492 /nfs/dbraw/zinc/23/14/92/340231492.db2.gz CQCORGJYFZINBD-CRAIPNDOSA-N 1 0 318.417 3.764 20 5 DHBDRO Cc1[nH]c2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2c1C ZINC000509598544 340274439 /nfs/dbraw/zinc/27/44/39/340274439.db2.gz GDESIXASNFNOFV-UHFFFAOYSA-N 1 0 309.369 3.983 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000511039097 340319016 /nfs/dbraw/zinc/31/90/16/340319016.db2.gz ZBLVYBJYJSVPAT-AEFFLSMTSA-N 1 0 320.433 3.967 20 5 DHBDRO C[C@H](c1cccc(F)c1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511061761 340319737 /nfs/dbraw/zinc/31/97/37/340319737.db2.gz BGZXRBRKWOPGAF-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000511522690 340329193 /nfs/dbraw/zinc/32/91/93/340329193.db2.gz MVEQOHRLHITXNF-LLVKDONJSA-N 1 0 300.305 3.571 20 5 DHBDRO Cc1c(C[NH2+]C/C=C/c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000511763057 340337590 /nfs/dbraw/zinc/33/75/90/340337590.db2.gz PPIHDQXZDCXINR-ONEGZZNKSA-N 1 0 318.323 3.984 20 5 DHBDRO COc1cc(C[NH2+]CC[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000512229346 340353171 /nfs/dbraw/zinc/35/31/71/340353171.db2.gz YXWAUMGANICXPH-QWHCGFSZSA-N 1 0 322.405 3.615 20 5 DHBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512868750 340381777 /nfs/dbraw/zinc/38/17/77/340381777.db2.gz HXGOHNIDXPCUNS-FZMZJTMJSA-N 1 0 318.398 3.696 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000516631720 340425368 /nfs/dbraw/zinc/42/53/68/340425368.db2.gz XLKYPWDIZWMCRI-DCGLDWPTSA-N 1 0 306.406 3.757 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000191661129 340557184 /nfs/dbraw/zinc/55/71/84/340557184.db2.gz ZHEDPFJNMFEJAR-UABRLCRWSA-N 1 0 324.380 3.981 20 5 DHBDRO C[C@@H](CCC1CC1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564196383 340662560 /nfs/dbraw/zinc/66/25/60/340662560.db2.gz VWAREAYMVYQUIU-LBPRGKRZSA-N 1 0 301.390 3.787 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000315801808 340676780 /nfs/dbraw/zinc/67/67/80/340676780.db2.gz UBMARVFKXFPKEZ-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000537969547 340794316 /nfs/dbraw/zinc/79/43/16/340794316.db2.gz FKRYQSRUJGKPLW-CQSZACIVSA-N 1 0 310.397 3.969 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000537986475 340805675 /nfs/dbraw/zinc/80/56/75/340805675.db2.gz IHPUBCHMUMTZGB-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1ccc(OCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000539075862 340870935 /nfs/dbraw/zinc/87/09/35/340870935.db2.gz NHQYYKKJLXUTSO-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(F)c1 ZINC000540173588 340920548 /nfs/dbraw/zinc/92/05/48/340920548.db2.gz FUQVDGLTPVICHE-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000540333605 340927412 /nfs/dbraw/zinc/92/74/12/340927412.db2.gz UPSGQRJSZMZBBK-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO CCc1ccc([C@H]([NH2+]C2CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542494864 341010306 /nfs/dbraw/zinc/01/03/06/341010306.db2.gz QBCVUMUIYVMQMK-QGZVFWFLSA-N 1 0 300.358 3.982 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccon1 ZINC000542699566 341017825 /nfs/dbraw/zinc/01/78/25/341017825.db2.gz JLXZOCTVDYOTMM-RYUDHWBXSA-N 1 0 321.402 3.804 20 5 DHBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCSC1 ZINC000130547980 341027372 /nfs/dbraw/zinc/02/73/72/341027372.db2.gz SJSVBBJGHYHRHM-LBPRGKRZSA-N 1 0 318.398 3.792 20 5 DHBDRO Cc1cccc([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000543246296 341037830 /nfs/dbraw/zinc/03/78/30/341037830.db2.gz AHSLPFMDHJNQGH-SFHVURJKSA-N 1 0 310.397 3.935 20 5 DHBDRO C[C@H]1CCC[C@@H](CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000543481232 341046680 /nfs/dbraw/zinc/04/66/80/341046680.db2.gz SHHUHDRNERMLNJ-KBPBESRZSA-N 1 0 303.406 3.564 20 5 DHBDRO CCC(CC)[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000544593251 341087647 /nfs/dbraw/zinc/08/76/47/341087647.db2.gz BJIZHWWQZJXRSY-KRWDZBQOSA-N 1 0 308.422 3.834 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000131444612 341089097 /nfs/dbraw/zinc/08/90/97/341089097.db2.gz IGIYCVZQKICEEK-KBXCAEBGSA-N 1 0 314.385 3.942 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000131462795 341090438 /nfs/dbraw/zinc/09/04/38/341090438.db2.gz ZOWCLHXTIXAXCZ-KBXCAEBGSA-N 1 0 314.385 3.942 20 5 DHBDRO CC[C@@H](CC(F)(F)F)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000544939215 341100336 /nfs/dbraw/zinc/10/03/36/341100336.db2.gz AEMOAWNLQHOBNV-PZBABLGHSA-N 1 0 302.296 3.929 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000546832268 341183328 /nfs/dbraw/zinc/18/33/28/341183328.db2.gz ZKXTZMFXCLTOSV-LLVKDONJSA-N 1 0 303.362 3.604 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1N(C)C ZINC000548722074 341270720 /nfs/dbraw/zinc/27/07/20/341270720.db2.gz ZFLYJENJHWBZKV-CQSZACIVSA-N 1 0 313.401 3.554 20 5 DHBDRO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000550444418 341317204 /nfs/dbraw/zinc/31/72/04/341317204.db2.gz UXPNMWXZVDLCQN-OCCSQVGLSA-N 1 0 322.380 3.753 20 5 DHBDRO C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000245930590 341318715 /nfs/dbraw/zinc/31/87/15/341318715.db2.gz PEJYWBCYMGZTIS-QWHCGFSZSA-N 1 0 315.373 3.728 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCCC23CCCC3)cc1[N+](=O)[O-] ZINC000551015645 341329275 /nfs/dbraw/zinc/32/92/75/341329275.db2.gz YCCLBAKTWCUJMR-MRXNPFEDSA-N 1 0 304.390 3.806 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCC(F)(F)C2)C2CC2)cc1 ZINC000551094320 341331504 /nfs/dbraw/zinc/33/15/04/341331504.db2.gz XYOGIUQVWDMZQC-CYBMUJFWSA-N 1 0 310.344 3.995 20 5 DHBDRO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000551308057 341337969 /nfs/dbraw/zinc/33/79/69/341337969.db2.gz JSMBXDIWDYTOCN-RBSFLKMASA-N 1 0 320.437 3.691 20 5 DHBDRO Cc1n[nH]cc1C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000551426628 341341475 /nfs/dbraw/zinc/34/14/75/341341475.db2.gz DDIURCZIMYUOPG-ZDUSSCGKSA-N 1 0 314.389 3.567 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000084137379 341357717 /nfs/dbraw/zinc/35/77/17/341357717.db2.gz JTNOREFBGYQYCQ-UHFFFAOYSA-N 1 0 302.296 3.759 20 5 DHBDRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000556203445 341497074 /nfs/dbraw/zinc/49/70/74/341497074.db2.gz ODWLPDSVDQNPAK-FPCVCCKLSA-N 1 0 320.437 3.833 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000152928625 341512116 /nfs/dbraw/zinc/51/21/16/341512116.db2.gz LWBCDQDFLBSMAW-KRWDZBQOSA-N 1 0 316.357 3.514 20 5 DHBDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2C)cc1[N+](=O)[O-] ZINC000567127485 341581690 /nfs/dbraw/zinc/58/16/90/341581690.db2.gz RIMPAMSKOMODEZ-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO Cc1ccnc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000567542814 341613838 /nfs/dbraw/zinc/61/38/38/341613838.db2.gz XGVMQCHKPHAEMJ-CYBMUJFWSA-N 1 0 324.384 3.673 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000192502891 341870060 /nfs/dbraw/zinc/87/00/60/341870060.db2.gz PONOLXMEDFDSLL-GOSISDBHSA-N 1 0 312.369 3.844 20 5 DHBDRO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182789432 520116777 /nfs/dbraw/zinc/11/67/77/520116777.db2.gz SHLXBTAPFVQNBG-LSDHHAIUSA-N 1 0 306.406 3.713 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]2CCCO[C@H]21 ZINC000266157090 520668347 /nfs/dbraw/zinc/66/83/47/520668347.db2.gz MIWDYIQTKYWOEF-NWANDNLSSA-N 1 0 324.808 3.541 20 5 DHBDRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182822780 521498965 /nfs/dbraw/zinc/49/89/65/521498965.db2.gz KBKXAQKJQUWKOD-JKSUJKDBSA-N 1 0 319.449 3.628 20 5 DHBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183043729 521937132 /nfs/dbraw/zinc/93/71/32/521937132.db2.gz GFJFGXIJEVAANL-RYUDHWBXSA-N 1 0 303.362 3.774 20 5 DHBDRO CC[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000159225254 522637820 /nfs/dbraw/zinc/63/78/20/522637820.db2.gz XGQZYEAYFONEMH-ULQDDVLXSA-N 1 0 306.406 3.577 20 5 DHBDRO CC[C@@H]([NH2+]CCCn1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000156380816 522834588 /nfs/dbraw/zinc/83/45/88/522834588.db2.gz FYRWKWSRQULIGG-QGZVFWFLSA-N 1 0 316.405 3.539 20 5 DHBDRO CC[C@@H]([NH2+]CCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000156966612 522837008 /nfs/dbraw/zinc/83/70/08/522837008.db2.gz UDDPJTIGOYVIMN-GOSISDBHSA-N 1 0 314.385 3.852 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](CCO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154673240 522848007 /nfs/dbraw/zinc/84/80/07/522848007.db2.gz RVYVTUPJMXRVJM-WMLDXEAASA-N 1 0 308.422 3.680 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000160054286 522857879 /nfs/dbraw/zinc/85/78/79/522857879.db2.gz QZAXBXUXJBHCJD-HZPDHXFCSA-N 1 0 320.414 3.605 20 5 DHBDRO COCC1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000337268106 522900375 /nfs/dbraw/zinc/90/03/75/522900375.db2.gz XDRRLGMBNQLYNL-UHFFFAOYSA-N 1 0 306.406 3.625 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161616801 522917598 /nfs/dbraw/zinc/91/75/98/522917598.db2.gz DTCMIALQZKLFBO-BLLLJJGKSA-N 1 0 302.378 3.613 20 5 DHBDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000179947054 524332972 /nfs/dbraw/zinc/33/29/72/524332972.db2.gz CQYSQNZJLCJWRZ-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000266748324 525381940 /nfs/dbraw/zinc/38/19/40/525381940.db2.gz BURMJPRUOJQRIL-MEDUHNTESA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000268907838 525462465 /nfs/dbraw/zinc/46/24/65/525462465.db2.gz NNGYWEXDWMTXTQ-CYBMUJFWSA-N 1 0 312.369 3.518 20 5 DHBDRO Cc1cc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000182765531 525465238 /nfs/dbraw/zinc/46/52/38/525465238.db2.gz HRXCAJOXGWQECB-BZNIZROVSA-N 1 0 320.414 3.657 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000156014278 525604731 /nfs/dbraw/zinc/60/47/31/525604731.db2.gz XBCZUNMYDBEUMM-JQFCIGGWSA-N 1 0 314.389 3.626 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000188055851 525627137 /nfs/dbraw/zinc/62/71/37/525627137.db2.gz AMNUFGBGFSHXBZ-ZBEGNZNMSA-N 1 0 316.332 3.908 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000180718658 525688105 /nfs/dbraw/zinc/68/81/05/525688105.db2.gz BFAXQPAGOLXVQC-BZNIZROVSA-N 1 0 316.332 3.908 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCCCCn2cccn2)cc1[N+](=O)[O-] ZINC000181827859 525724727 /nfs/dbraw/zinc/72/47/27/525724727.db2.gz YMTNMQOLHXUAHH-OAHLLOKOSA-N 1 0 316.405 3.621 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000364144437 525921628 /nfs/dbraw/zinc/92/16/28/525921628.db2.gz BYNJLZWTVVLJKX-MORSLUCNSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1cnn(CCCCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180416644 526261399 /nfs/dbraw/zinc/26/13/99/526261399.db2.gz CYRAXZRSYUCNJP-OAHLLOKOSA-N 1 0 316.405 3.621 20 5 DHBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000130613923 526524187 /nfs/dbraw/zinc/52/41/87/526524187.db2.gz DIEJASUTKFAMPC-MRXNPFEDSA-N 1 0 314.389 3.580 20 5 DHBDRO Cc1nc2c(s1)CCC[C@H]2C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000366396385 527105327 /nfs/dbraw/zinc/10/53/27/527105327.db2.gz CCAJPCWRSXLZHC-ZDUSSCGKSA-N 1 0 317.414 3.569 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCCCOC(C)C)cc1[N+](=O)[O-] ZINC000272798956 535410902 /nfs/dbraw/zinc/41/09/02/535410902.db2.gz BDICGRLVXBVBRP-CQSZACIVSA-N 1 0 324.421 3.849 20 5 DHBDRO COCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272518813 536819524 /nfs/dbraw/zinc/81/95/24/536819524.db2.gz HLLGEQIYJSYUJT-HIFRSBDPSA-N 1 0 318.373 3.925 20 5 DHBDRO CN(CC1CC[NH+](C)CC1)c1ccc2ccc3cccnc3c2n1 ZINC001165040785 721932038 /nfs/dbraw/zinc/93/20/38/721932038.db2.gz NKQSXWMXZGVESB-UHFFFAOYSA-N 1 0 320.440 3.561 20 5 DHBDRO COCc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000266211439 1013145043 /nfs/dbraw/zinc/14/50/43/1013145043.db2.gz ONCPCNAQZFAZDM-CYBMUJFWSA-N 1 0 300.358 3.592 20 5 DHBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCCCC1 ZINC000083133655 1013322768 /nfs/dbraw/zinc/32/27/68/1013322768.db2.gz SKIWAIDNRBWHOJ-UHFFFAOYSA-N 1 0 303.362 3.748 20 5 DHBDRO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176934711 1013685456 /nfs/dbraw/zinc/68/54/56/1013685456.db2.gz PZLICLPSTUKPAZ-CYBMUJFWSA-N 1 0 324.384 3.604 20 5 DHBDRO Cc1cccnc1[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000118840166 1013727675 /nfs/dbraw/zinc/72/76/75/1013727675.db2.gz ZFBDGRZQMRVTTQ-QGZVFWFLSA-N 1 0 313.401 3.828 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000237158584 1013759223 /nfs/dbraw/zinc/75/92/23/1013759223.db2.gz DISXYKDORIJUQA-CQSZACIVSA-N 1 0 314.385 3.714 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340446869 1013804030 /nfs/dbraw/zinc/80/40/30/1013804030.db2.gz PXNDFSZDQSYIGN-WBMJQRKESA-N 1 0 315.373 3.887 20 5 DHBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC001167325703 1013879473 /nfs/dbraw/zinc/87/94/73/1013879473.db2.gz DETRSOVORHWXEL-UHFFFAOYSA-N 1 0 322.405 3.686 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340520812 1013916118 /nfs/dbraw/zinc/91/61/18/1013916118.db2.gz GTNPVUKXQJLRCQ-INIZCTEOSA-N 1 0 312.369 3.510 20 5 DHBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000340527696 1013918297 /nfs/dbraw/zinc/91/82/97/1013918297.db2.gz XZJZEQYYFJXMIF-OLZOCXBDSA-N 1 0 315.373 3.719 20 5 DHBDRO NC(=[NH2+])N(c1ccc(F)cc1)c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001167997969 1014158202 /nfs/dbraw/zinc/15/82/02/1014158202.db2.gz COXPZRPTRBTZHD-UHFFFAOYSA-N 1 0 324.315 3.919 20 5 DHBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000441487045 1014248167 /nfs/dbraw/zinc/24/81/67/1014248167.db2.gz OFCCKKHOHMFSIF-KFWWJZLASA-N 1 0 304.390 3.627 20 5 DHBDRO Cc1ccc([C@@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000319920787 1014278584 /nfs/dbraw/zinc/27/85/84/1014278584.db2.gz BQSAQRMLLZGHBV-HZPDHXFCSA-N 1 0 319.449 3.818 20 5 DHBDRO COC1(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000579815490 1014320317 /nfs/dbraw/zinc/32/03/17/1014320317.db2.gz YWZHPCILCMPZDE-INIZCTEOSA-N 1 0 318.417 3.866 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933082445 1014540830 /nfs/dbraw/zinc/54/08/30/1014540830.db2.gz NECRDNXVKPCBGH-RHSMWYFYSA-N 1 0 318.417 3.794 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000427984357 1014561601 /nfs/dbraw/zinc/56/16/01/1014561601.db2.gz MPVYORPVPWHPOJ-JKSUJKDBSA-N 1 0 306.406 3.983 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)C1(C)CC1 ZINC000706939397 1014763635 /nfs/dbraw/zinc/76/36/35/1014763635.db2.gz XVOSQQWQDLNTHG-SECBINFHSA-N 1 0 313.195 3.636 20 5 DHBDRO Cc1ccnc([C@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000581556930 1014995254 /nfs/dbraw/zinc/99/52/54/1014995254.db2.gz VXPUUJRAXBPUJW-HOCLYGCPSA-N 1 0 311.385 3.849 20 5 DHBDRO CCCC[C@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000581576852 1015008116 /nfs/dbraw/zinc/00/81/16/1015008116.db2.gz ADWWOAZBKTVSAY-LBPRGKRZSA-N 1 0 318.377 3.655 20 5 DHBDRO CCC[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358358442 1015025218 /nfs/dbraw/zinc/02/52/18/1015025218.db2.gz YTBKCUNHYRYQBA-HOCLYGCPSA-N 1 0 308.422 3.823 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000610716604 1015032198 /nfs/dbraw/zinc/03/21/98/1015032198.db2.gz FQWQRKIWLKWMSE-XJKSGUPXSA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1sccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000610514234 1015052334 /nfs/dbraw/zinc/05/23/34/1015052334.db2.gz ZRZQIMUQWSRMTR-LBPRGKRZSA-N 1 0 323.443 3.967 20 5 DHBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000348676007 1015092059 /nfs/dbraw/zinc/09/20/59/1015092059.db2.gz BTXTWXDTDPNHOY-CHWSQXEVSA-N 1 0 315.373 3.719 20 5 DHBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC(F)(F)C1 ZINC000895533300 1015190128 /nfs/dbraw/zinc/19/01/28/1015190128.db2.gz UXYOVEHZAHUZCH-UHFFFAOYSA-N 1 0 304.724 3.773 20 5 DHBDRO COc1ccc(C[N@H+](CC2CC2)CC2CCC2)cc1[N+](=O)[O-] ZINC000475676692 1015269687 /nfs/dbraw/zinc/26/96/87/1015269687.db2.gz REQSUYXVOVGOGE-UHFFFAOYSA-N 1 0 304.390 3.616 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccnc1Cl ZINC000090910003 1015300674 /nfs/dbraw/zinc/30/06/74/1015300674.db2.gz NPOFOXAJECBQBS-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO Cc1ccc(-c2csc([C@H]3CCCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000053251666 1015549259 /nfs/dbraw/zinc/54/92/59/1015549259.db2.gz LSGVKTMNTOBKDM-GFCCVEGCSA-N 1 0 303.387 3.841 20 5 DHBDRO Cc1ccc([C@H](C)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610799329 1015844520 /nfs/dbraw/zinc/84/45/20/1015844520.db2.gz SICKPKWTOCKBQG-DZKIICNBSA-N 1 0 319.449 3.532 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)C[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610832262 1015881614 /nfs/dbraw/zinc/88/16/14/1015881614.db2.gz OYPPBYJWHXBGFY-CPUCHLNUSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc(C2CC([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000320248918 1015946072 /nfs/dbraw/zinc/94/60/72/1015946072.db2.gz PGYOKGWUOLKNQM-UHFFFAOYSA-N 1 0 310.397 3.982 20 5 DHBDRO CC[C@H]([NH2+]CCOC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000315600884 1016098527 /nfs/dbraw/zinc/09/85/27/1016098527.db2.gz TVOMJPJDTURDIV-KRWDZBQOSA-N 1 0 306.406 3.985 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000279733732 1016131983 /nfs/dbraw/zinc/13/19/83/1016131983.db2.gz WIWXFCVBVKTCGQ-ZBFHGGJFSA-N 1 0 320.414 3.648 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1ccccc1F ZINC000084439751 1016139060 /nfs/dbraw/zinc/13/90/60/1016139060.db2.gz XFHQXKTXMJQTNB-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO CCOCc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119551917 1016145092 /nfs/dbraw/zinc/14/50/92/1016145092.db2.gz VTWUFBXJYYASRU-CQSZACIVSA-N 1 0 314.385 3.982 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000178530294 1016323127 /nfs/dbraw/zinc/32/31/27/1016323127.db2.gz OZSFLAKUZLREHZ-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1nc(C)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000119846016 1016376646 /nfs/dbraw/zinc/37/66/46/1016376646.db2.gz GROVKVBQIGXWPI-SNVBAGLBSA-N 1 0 305.403 3.827 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579722 1016458835 /nfs/dbraw/zinc/45/88/35/1016458835.db2.gz NRIXTWXRFQJGAR-DGCLKSJQSA-N 1 0 314.332 3.668 20 5 DHBDRO O=[N+]([O-])c1ccsc1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000611411404 1016606683 /nfs/dbraw/zinc/60/66/83/1016606683.db2.gz STHGQJLWBOFSIW-UHFFFAOYSA-N 1 0 317.414 3.864 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000281904354 1016794250 /nfs/dbraw/zinc/79/42/50/1016794250.db2.gz BRULFUYGCYSZNY-XJKSGUPXSA-N 1 0 304.390 3.595 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000281988335 1016860654 /nfs/dbraw/zinc/86/06/54/1016860654.db2.gz ICZJRPHVOMMNQJ-XJKSGUPXSA-N 1 0 304.390 3.595 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000444230380 1016887211 /nfs/dbraw/zinc/88/72/11/1016887211.db2.gz YEZZQRCAMOGLEM-ZDUSSCGKSA-N 1 0 322.405 3.710 20 5 DHBDRO COc1ccc(C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000479570614 1017000184 /nfs/dbraw/zinc/00/01/84/1017000184.db2.gz PZJFEDSBLDAXDD-UKRRQHHQSA-N 1 0 304.390 3.685 20 5 DHBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000479581159 1017006795 /nfs/dbraw/zinc/00/67/95/1017006795.db2.gz UHDFJWJKYVNILY-HNNXBMFYSA-N 1 0 314.385 3.804 20 5 DHBDRO C[C@H](CCCCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000295099510 1032275124 /nfs/dbraw/zinc/27/51/24/1032275124.db2.gz SMOFAKBMRWFUPM-SECBINFHSA-N 1 0 321.204 3.542 20 5 DHBDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000235115490 1032366931 /nfs/dbraw/zinc/36/69/31/1032366931.db2.gz VGKWIMRSYFNFCO-RYUDHWBXSA-N 1 0 300.811 3.622 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC000348110418 1032464421 /nfs/dbraw/zinc/46/44/21/1032464421.db2.gz MTIDUUWCYBYMBS-LLVKDONJSA-N 1 0 304.346 3.664 20 5 DHBDRO C[C@@H](C[N+](C)(C)C)O[C@@H](C)c1ccc(Br)cc1 ZINC001224104863 1032524881 /nfs/dbraw/zinc/52/48/81/1032524881.db2.gz UPPYGMNWAFMENQ-RYUDHWBXSA-N 1 0 301.248 3.621 20 5 DHBDRO C[C@H](C[N+](C)(C)C)O[C@@H](C)c1ccc(Br)cc1 ZINC001224104858 1032525127 /nfs/dbraw/zinc/52/51/27/1032525127.db2.gz UPPYGMNWAFMENQ-NEPJUHHUSA-N 1 0 301.248 3.621 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc(F)c(F)c2)c1 ZINC000049577417 1012051699 /nfs/dbraw/zinc/05/16/99/1012051699.db2.gz ASWCEYZCCQKDAX-UHFFFAOYSA-N 1 0 312.703 3.816 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000154129939 1012449661 /nfs/dbraw/zinc/44/96/61/1012449661.db2.gz FMJXNONNWSPFQI-DGCLKSJQSA-N 1 0 310.419 3.540 20 5 DHBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000515437203 1012630524 /nfs/dbraw/zinc/63/05/24/1012630524.db2.gz RKFDYUVLKPOFCJ-ZANVPECISA-N 1 0 302.296 3.892 20 5 DHBDRO Cc1cc(N2CCCc3occc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000515700293 1012697905 /nfs/dbraw/zinc/69/79/05/1012697905.db2.gz OIVSUITVBGAUJU-UHFFFAOYSA-N 1 0 323.352 3.997 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000516736258 1012823044 /nfs/dbraw/zinc/82/30/44/1012823044.db2.gz AQUKPEUHONFIBH-HNNXBMFYSA-N 1 0 319.449 3.710 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000037565857 1032666844 /nfs/dbraw/zinc/66/68/44/1032666844.db2.gz MXPLTDSPVJXJIT-GFCCVEGCSA-N 1 0 302.761 3.678 20 5 DHBDRO CCC[C@@H](NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000336864118 1013015975 /nfs/dbraw/zinc/01/59/75/1013015975.db2.gz DXJKRIGQAGQWHI-GOSISDBHSA-N 1 0 319.449 3.902 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000322591624 1013017655 /nfs/dbraw/zinc/01/76/55/1013017655.db2.gz GHVVHJMDNMWXGH-QGZVFWFLSA-N 1 0 312.369 3.776 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OCC1CC1 ZINC000840960031 1017576589 /nfs/dbraw/zinc/57/65/89/1017576589.db2.gz BUJRJKPEGLQUBC-UHFFFAOYSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444651437 1017607829 /nfs/dbraw/zinc/60/78/29/1017607829.db2.gz VFZOYRLTQVVBCV-WBMJQRKESA-N 1 0 316.405 3.872 20 5 DHBDRO CCC1CCC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444639186 1017613670 /nfs/dbraw/zinc/61/36/70/1017613670.db2.gz LMQUHOQETRMDSI-UHFFFAOYSA-N 1 0 316.405 3.872 20 5 DHBDRO CCC[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689505 1017630907 /nfs/dbraw/zinc/63/09/07/1017630907.db2.gz NQZOZCURMFPIKB-LBPRGKRZSA-N 1 0 302.378 3.626 20 5 DHBDRO CCC[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689504 1017632207 /nfs/dbraw/zinc/63/22/07/1017632207.db2.gz NQZOZCURMFPIKB-GFCCVEGCSA-N 1 0 302.378 3.626 20 5 DHBDRO COc1cc(C[N@H+](C)Cc2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000444726809 1017652910 /nfs/dbraw/zinc/65/29/10/1017652910.db2.gz BOVRBISJFXGQBJ-UHFFFAOYSA-N 1 0 318.348 3.683 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000444769773 1017668789 /nfs/dbraw/zinc/66/87/89/1017668789.db2.gz JNFGTNPWPCJELP-GFCCVEGCSA-N 1 0 310.369 3.611 20 5 DHBDRO COCc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000268782015 1017737001 /nfs/dbraw/zinc/73/70/01/1017737001.db2.gz QANQLSKEOLKRSX-CQSZACIVSA-N 1 0 314.385 3.900 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000171140781 1017870425 /nfs/dbraw/zinc/87/04/25/1017870425.db2.gz XAKGYJOSTYJPMI-MRXNPFEDSA-N 1 0 315.373 3.629 20 5 DHBDRO CCC[C@@H]([NH2+]CCOC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000353247989 1018054828 /nfs/dbraw/zinc/05/48/28/1018054828.db2.gz JQHSBGDZUHBHBH-GFCCVEGCSA-N 1 0 306.284 3.562 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278116450 1018156058 /nfs/dbraw/zinc/15/60/58/1018156058.db2.gz ANFQAIBVOWXCJX-PYEVWLCESA-N 1 0 314.307 3.882 20 5 DHBDRO CC[C@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446828798 1018261886 /nfs/dbraw/zinc/26/18/86/1018261886.db2.gz ZJJZGJKFJYJFCB-RYUDHWBXSA-N 1 0 302.378 3.530 20 5 DHBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000447384595 1018384738 /nfs/dbraw/zinc/38/47/38/1018384738.db2.gz MTVKUALTZMREIY-MRXNPFEDSA-N 1 0 310.369 3.515 20 5 DHBDRO CC1CCC(O)(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000441272339 1018396665 /nfs/dbraw/zinc/39/66/65/1018396665.db2.gz YSOVAHQKHBGXJC-UHFFFAOYSA-N 1 0 318.417 3.500 20 5 DHBDRO CC1(C)CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447527109 1018404712 /nfs/dbraw/zinc/40/47/12/1018404712.db2.gz DHOHTHXSXBXIAK-CABCVRRESA-N 1 0 320.437 3.833 20 5 DHBDRO CO[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000447559862 1018425119 /nfs/dbraw/zinc/42/51/19/1018425119.db2.gz BIKFYUFYSBWSNI-HZPDHXFCSA-N 1 0 306.406 3.623 20 5 DHBDRO C[C@@H](Cc1ccncc1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447587310 1018430280 /nfs/dbraw/zinc/43/02/80/1018430280.db2.gz QVOCOYQCLKEQJY-UGSOOPFHSA-N 1 0 311.385 3.588 20 5 DHBDRO Cc1cccc(CCCNc2ccc3ncccc3c2[N+](=O)[O-])n1 ZINC000343223000 1018447397 /nfs/dbraw/zinc/44/73/97/1018447397.db2.gz OWPXFEJXKHSHDB-UHFFFAOYSA-N 1 0 322.368 3.891 20 5 DHBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000536023721 1018459954 /nfs/dbraw/zinc/45/99/54/1018459954.db2.gz WOMRNCROIFFNEF-HNNXBMFYSA-N 1 0 317.776 3.847 20 5 DHBDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000583578390 1018570104 /nfs/dbraw/zinc/57/01/04/1018570104.db2.gz OPEJTUOMXSGLGO-KBPBESRZSA-N 1 0 304.390 3.614 20 5 DHBDRO CCc1noc(C)c1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000340440898 1018608205 /nfs/dbraw/zinc/60/82/05/1018608205.db2.gz TTXDVIBTIKLTRO-KRWDZBQOSA-N 1 0 315.373 3.621 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCC2SCCS2)cc1[N+](=O)[O-] ZINC000693830164 1018775918 /nfs/dbraw/zinc/77/59/18/1018775918.db2.gz YCYHFWZLVNVIKU-NSHDSACASA-N 1 0 312.460 3.750 20 5 DHBDRO CC[C@H](C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171950334 1018854794 /nfs/dbraw/zinc/85/47/94/1018854794.db2.gz XCSHBYUYNSVHJO-RYUDHWBXSA-N 1 0 318.377 3.684 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)c1 ZINC000922897144 1018880121 /nfs/dbraw/zinc/88/01/21/1018880121.db2.gz LNNSEAWFQHVOPR-WBMJQRKESA-N 1 0 324.808 3.543 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000921815944 1018899188 /nfs/dbraw/zinc/89/91/88/1018899188.db2.gz CNJVHCZGEGPTJP-RKTXRCNFSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1ccoc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278600231 1018906373 /nfs/dbraw/zinc/90/63/73/1018906373.db2.gz CEYYBLUSFWQKRY-UHFFFAOYSA-N 1 0 314.263 3.805 20 5 DHBDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000282316059 1019022444 /nfs/dbraw/zinc/02/24/44/1019022444.db2.gz UDCSBZBJDOIZLU-IJEWVQPXSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCc3cc(F)ccc32)cccc1[N+](=O)[O-] ZINC000318186171 1019085787 /nfs/dbraw/zinc/08/57/87/1019085787.db2.gz PXYUYGBIUPVRCT-MRXNPFEDSA-N 1 0 300.333 3.819 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2cc[nH]c21 ZINC000584318680 1019089778 /nfs/dbraw/zinc/08/97/78/1019089778.db2.gz VKLAVWQVOSINSI-UHFFFAOYSA-N 1 0 309.369 3.751 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000278745183 1019175520 /nfs/dbraw/zinc/17/55/20/1019175520.db2.gz NPEUMWTYUQEBID-KRWDZBQOSA-N 1 0 311.385 3.674 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000777010204 1032818685 /nfs/dbraw/zinc/81/86/85/1032818685.db2.gz YMHKYMKHZGITPU-QWHCGFSZSA-N 1 0 320.311 3.603 20 5 DHBDRO CC(C)CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000750037570 1019288816 /nfs/dbraw/zinc/28/88/16/1019288816.db2.gz OIYFHOGDDCEIJM-GOSISDBHSA-N 1 0 320.433 3.919 20 5 DHBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccsc1 ZINC000075676961 1019291540 /nfs/dbraw/zinc/29/15/40/1019291540.db2.gz XVKJEJQHMHUWIE-CQSZACIVSA-N 1 0 320.418 3.546 20 5 DHBDRO Cc1occc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611080817 1019396317 /nfs/dbraw/zinc/39/63/17/1019396317.db2.gz HBYCGMSRMWOPAH-PBHICJAKSA-N 1 0 314.385 3.997 20 5 DHBDRO CCc1ccc([C@H](CO)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000090844555 1019420451 /nfs/dbraw/zinc/42/04/51/1019420451.db2.gz UPMMGUIGBBEARD-UGSOOPFHSA-N 1 0 314.385 3.541 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000611268525 1019427929 /nfs/dbraw/zinc/42/79/29/1019427929.db2.gz CRUHQIBYAUXOPQ-CYBMUJFWSA-N 1 0 312.316 3.571 20 5 DHBDRO Cc1cccc2c1CC[C@@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000611335731 1019448336 /nfs/dbraw/zinc/44/83/36/1019448336.db2.gz QBNBRSDZADWYRW-SFHVURJKSA-N 1 0 312.369 3.559 20 5 DHBDRO Cc1nc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000611337336 1019448842 /nfs/dbraw/zinc/44/88/42/1019448842.db2.gz USIXRDCSRVFKHL-JTQLQIEISA-N 1 0 305.403 3.561 20 5 DHBDRO CC(C)OC1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611442755 1019488657 /nfs/dbraw/zinc/48/86/57/1019488657.db2.gz PDTHPYJMMBOXCO-ALCCZGGFSA-N 1 0 318.417 3.934 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000611475909 1019497785 /nfs/dbraw/zinc/49/77/85/1019497785.db2.gz QCYJIQAWUZMBEE-ZYHUDNBSSA-N 1 0 314.332 3.832 20 5 DHBDRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000611555204 1019517173 /nfs/dbraw/zinc/51/71/73/1019517173.db2.gz RHLRQKLAKOXVGL-JQWIXIFHSA-N 1 0 302.296 3.758 20 5 DHBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000315020239 1019778199 /nfs/dbraw/zinc/77/81/99/1019778199.db2.gz YMSMTZKYGVAJAN-LLVKDONJSA-N 1 0 317.311 3.510 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000609440744 1019892844 /nfs/dbraw/zinc/89/28/44/1019892844.db2.gz LMUDNKRLVRILEN-MRXNPFEDSA-N 1 0 312.369 3.689 20 5 DHBDRO C[NH2+][C@@H](CC(C)(C)C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843238302 1019965961 /nfs/dbraw/zinc/96/59/61/1019965961.db2.gz OTVAMATZDLCIAR-LBPRGKRZSA-N 1 0 318.377 3.650 20 5 DHBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000533436640 1020010035 /nfs/dbraw/zinc/01/00/35/1020010035.db2.gz XKKCTNONXOBXMU-UHFFFAOYSA-N 1 0 315.373 3.667 20 5 DHBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001168601197 1020044071 /nfs/dbraw/zinc/04/40/71/1020044071.db2.gz MEOSOIPXJVRFAQ-OOCSTFOJSA-N 1 0 323.824 3.872 20 5 DHBDRO COCC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000093103651 1020134066 /nfs/dbraw/zinc/13/40/66/1020134066.db2.gz HCXYFZXSQPCTEI-UHFFFAOYSA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000154917115 1020164581 /nfs/dbraw/zinc/16/45/81/1020164581.db2.gz BVTBHBOOQMCQMN-QGZVFWFLSA-N 1 0 311.385 3.671 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000124349850 1020167475 /nfs/dbraw/zinc/16/74/75/1020167475.db2.gz WMSRRZBIPYVNSQ-KSSFIOAISA-N 1 0 317.433 3.510 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000124751109 1020220815 /nfs/dbraw/zinc/22/08/15/1020220815.db2.gz CNUNJHMFXCADLR-VBNZEHGJSA-N 1 0 304.390 3.593 20 5 DHBDRO CC1(C)CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000330545813 1020232156 /nfs/dbraw/zinc/23/21/56/1020232156.db2.gz ZRWBTDFYGZHJLC-UHFFFAOYSA-N 1 0 315.373 3.872 20 5 DHBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000330668890 1020236883 /nfs/dbraw/zinc/23/68/83/1020236883.db2.gz ZLTKNTIWGCAWHQ-HUUCEWRRSA-N 1 0 305.422 3.508 20 5 DHBDRO Cc1ccc([C@H](C)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000390942924 1020237156 /nfs/dbraw/zinc/23/71/56/1020237156.db2.gz KVYQQIFJPNHEHR-HOCLYGCPSA-N 1 0 319.449 3.676 20 5 DHBDRO COCC1(C)CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000330697242 1020239725 /nfs/dbraw/zinc/23/97/25/1020239725.db2.gz FBUYCBXPAQRJIA-CQSZACIVSA-N 1 0 306.406 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c(Cl)c1 ZINC000922729563 1020244110 /nfs/dbraw/zinc/24/41/10/1020244110.db2.gz FQQIOGPGYDUIBE-WCBMZHEXSA-N 1 0 308.687 3.536 20 5 DHBDRO CC(C)[N@H+](Cc1cnn2ccccc12)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320486 1020251748 /nfs/dbraw/zinc/25/17/48/1020251748.db2.gz KOBNLXXXNZSMKS-UHFFFAOYSA-N 1 0 324.384 3.653 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000922839789 1020302653 /nfs/dbraw/zinc/30/26/53/1020302653.db2.gz ZCUPQXCVBIELEU-SIRQDLBWSA-N 1 0 306.431 3.872 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)c(F)c1 ZINC000922846146 1020304847 /nfs/dbraw/zinc/30/48/47/1020304847.db2.gz UEXQDCMWTAJMAW-GFCCVEGCSA-N 1 0 310.394 3.642 20 5 DHBDRO CC1(C)CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000732980876 1020310208 /nfs/dbraw/zinc/31/02/08/1020310208.db2.gz OYGAFXPVFTXVDY-UHFFFAOYSA-N 1 0 314.389 3.538 20 5 DHBDRO CCCC[NH+]1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122960998 1020329320 /nfs/dbraw/zinc/32/93/20/1020329320.db2.gz UDPBKIJFYJWUKB-AWEZNQCLSA-N 1 0 305.422 3.510 20 5 DHBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000347631181 1020356508 /nfs/dbraw/zinc/35/65/08/1020356508.db2.gz BERUDVSMNGUNOT-QWHCGFSZSA-N 1 0 315.373 3.719 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000282627608 1020371456 /nfs/dbraw/zinc/37/14/56/1020371456.db2.gz ANNJTSALZJRATN-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO CCC(CC)(CO)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302084928 1020413727 /nfs/dbraw/zinc/41/37/27/1020413727.db2.gz MYBOAXJUIUUFTI-UHFFFAOYSA-N 1 0 317.389 3.662 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000765847391 1020487218 /nfs/dbraw/zinc/48/72/18/1020487218.db2.gz BRDDINPGUHXTPA-NOVWEMISSA-N 1 0 318.417 3.577 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282703089 1020500543 /nfs/dbraw/zinc/50/05/43/1020500543.db2.gz PBZGQBXAEZTVRK-HNNXBMFYSA-N 1 0 324.808 3.687 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000162708856 1020545144 /nfs/dbraw/zinc/54/51/44/1020545144.db2.gz HSSLGFKZEWNNRC-UHFFFAOYSA-N 1 0 322.324 3.546 20 5 DHBDRO C[C@H](Oc1ccc([N+](=O)[O-])c(Cl)c1Cl)C1CC[NH2+]CC1 ZINC001218004106 1020773212 /nfs/dbraw/zinc/77/32/12/1020773212.db2.gz CCVMMLZEIHNUON-QMMMGPOBSA-N 1 0 319.188 3.669 20 5 DHBDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000580740460 1020854243 /nfs/dbraw/zinc/85/42/43/1020854243.db2.gz PJKPUUWVJXUHDI-CJNGLKHVSA-N 1 0 314.385 3.986 20 5 DHBDRO CCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000580849075 1020860807 /nfs/dbraw/zinc/86/08/07/1020860807.db2.gz ZPOYEUNSFNOZHX-UHFFFAOYSA-N 1 0 320.776 3.937 20 5 DHBDRO CCc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000581201900 1020877653 /nfs/dbraw/zinc/87/76/53/1020877653.db2.gz YVVGICBWVVGSRM-OAHLLOKOSA-N 1 0 302.399 3.996 20 5 DHBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000414152279 1020940866 /nfs/dbraw/zinc/94/08/66/1020940866.db2.gz XHQXRAAUJXOGJO-UKPHBRMFSA-N 1 0 304.390 3.518 20 5 DHBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000414197423 1020985531 /nfs/dbraw/zinc/98/55/31/1020985531.db2.gz VSLRSALSJQBNMK-VBNZEHGJSA-N 1 0 304.390 3.511 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2(OC)CCC2)cc1[N+](=O)[O-] ZINC000414292946 1021066234 /nfs/dbraw/zinc/06/62/34/1021066234.db2.gz BFXNLLDEUMPLGH-STQMWFEESA-N 1 0 322.405 3.602 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)C1CC1 ZINC000414294677 1021067269 /nfs/dbraw/zinc/06/72/69/1021067269.db2.gz WVABFSXISUHIFK-BZUAXINKSA-N 1 0 306.381 3.786 20 5 DHBDRO Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180422138 1021113488 /nfs/dbraw/zinc/11/34/88/1021113488.db2.gz LXAXVAJSVMVOBF-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO Cc1occc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414391762 1021178276 /nfs/dbraw/zinc/17/82/76/1021178276.db2.gz CCDVWUYOWNZXQB-UHFFFAOYSA-N 1 0 316.357 3.540 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)cc1 ZINC000776276461 1021220112 /nfs/dbraw/zinc/22/01/12/1021220112.db2.gz KAIJZDXKITWLEX-QZTJIDSGSA-N 1 0 318.417 3.673 20 5 DHBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279140 1021230977 /nfs/dbraw/zinc/23/09/77/1021230977.db2.gz VPFUCQMFDKULDI-KBRIMQKVSA-N 1 0 306.406 3.529 20 5 DHBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743381057 1021286071 /nfs/dbraw/zinc/28/60/71/1021286071.db2.gz TUDZNGAUMCHYJK-CJNGLKHVSA-N 1 0 316.405 3.803 20 5 DHBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000743381059 1021287011 /nfs/dbraw/zinc/28/70/11/1021287011.db2.gz TUDZNGAUMCHYJK-XJKSGUPXSA-N 1 0 316.405 3.803 20 5 DHBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743380245 1021287590 /nfs/dbraw/zinc/28/75/90/1021287590.db2.gz XLGOCNYUECXYQB-XJKSGUPXSA-N 1 0 316.405 3.803 20 5 DHBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000618198582 1021324925 /nfs/dbraw/zinc/32/49/25/1021324925.db2.gz FHKZQCQKJVJUIC-GJZGRUSLSA-N 1 0 318.398 3.590 20 5 DHBDRO Cc1ccc([C@@H](C)NCc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000181831391 1021361461 /nfs/dbraw/zinc/36/14/61/1021361461.db2.gz YQHYSIQVUYRXNO-GFCCVEGCSA-N 1 0 311.341 3.895 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccccc1F ZINC000743848745 1021377050 /nfs/dbraw/zinc/37/70/50/1021377050.db2.gz CIUCYYUPJOJGJB-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC3(CCC3)C1)CCC2 ZINC000618572100 1021424452 /nfs/dbraw/zinc/42/44/52/1021424452.db2.gz ZAOGNNPRNUYVNU-PBHICJAKSA-N 1 0 316.401 3.664 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000618577705 1021428697 /nfs/dbraw/zinc/42/86/97/1021428697.db2.gz BOWCVOUKTOULAC-PBHICJAKSA-N 1 0 317.433 3.571 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC(c4ccccc4)C3)nc2c1 ZINC000278808297 1021468629 /nfs/dbraw/zinc/46/86/29/1021468629.db2.gz YGGDDOUXBGGUAS-UHFFFAOYSA-N 1 0 322.368 3.507 20 5 DHBDRO CC1(C)[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(F)F ZINC000850393431 1021506253 /nfs/dbraw/zinc/50/62/53/1021506253.db2.gz CKSAYKOCBNXRSS-NSHDSACASA-N 1 0 304.724 3.629 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000695083828 1021508067 /nfs/dbraw/zinc/50/80/67/1021508067.db2.gz YFKADBVYNPGZNE-LLVKDONJSA-N 1 0 304.724 3.916 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CS1 ZINC000414499520 1021514267 /nfs/dbraw/zinc/51/42/67/1021514267.db2.gz KFZSVAPJIFALTO-DGCLKSJQSA-N 1 0 318.398 3.838 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000850430751 1021527868 /nfs/dbraw/zinc/52/78/68/1021527868.db2.gz PLGRIEWUAJNZPZ-CYBMUJFWSA-N 1 0 312.369 3.771 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000850439664 1021536153 /nfs/dbraw/zinc/53/61/53/1021536153.db2.gz QTDNSMBZMJLCJL-DMDPSCGWSA-N 1 0 310.419 3.538 20 5 DHBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618984952 1021606308 /nfs/dbraw/zinc/60/63/08/1021606308.db2.gz NFZPWNYXAIFMEO-IGCXYCKISA-N 1 0 318.417 3.722 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000565532049 1021648743 /nfs/dbraw/zinc/64/87/43/1021648743.db2.gz NVJJANZSQUHADW-JYJNAYRXSA-N 1 0 317.433 3.745 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000619499394 1021774037 /nfs/dbraw/zinc/77/40/37/1021774037.db2.gz KSMQAKWHNMICKA-AWEZNQCLSA-N 1 0 317.414 3.590 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000290319447 1021794614 /nfs/dbraw/zinc/79/46/14/1021794614.db2.gz ODUQEVFCWGBEFD-HIFRSBDPSA-N 1 0 312.369 3.730 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000746047983 1021835212 /nfs/dbraw/zinc/83/52/12/1021835212.db2.gz ADLDBGINODGNGU-UONOGXRCSA-N 1 0 300.358 3.713 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](Cc1ccccn1)C1CC1 ZINC000290347075 1021910335 /nfs/dbraw/zinc/91/03/35/1021910335.db2.gz FVOCEVGBYRSCEJ-FNORWQNLSA-N 1 0 309.369 3.668 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1Cl ZINC000828906556 1021934001 /nfs/dbraw/zinc/93/40/01/1021934001.db2.gz XOVGBPKMEWWVRO-ZFWWWQNUSA-N 1 0 324.808 3.639 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000893114063 1021951109 /nfs/dbraw/zinc/95/11/09/1021951109.db2.gz UKZAVQIMXRPSPF-CQSZACIVSA-N 1 0 324.808 3.830 20 5 DHBDRO CCS[C@@H]1CCCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000480949334 1022050824 /nfs/dbraw/zinc/05/08/24/1022050824.db2.gz BWMMBBZDCXAYBT-MRXNPFEDSA-N 1 0 324.446 3.581 20 5 DHBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000290628802 1022103678 /nfs/dbraw/zinc/10/36/78/1022103678.db2.gz XTETUMJSFWIRSG-CYBMUJFWSA-N 1 0 315.373 3.582 20 5 DHBDRO CCC[C@@]1(C)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587441 1022104911 /nfs/dbraw/zinc/10/49/11/1022104911.db2.gz GNUAXSNRGSXLMB-SJORKVTESA-N 1 0 306.406 3.530 20 5 DHBDRO Cc1c(C[NH+]2CCC(OC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000195326863 1022108332 /nfs/dbraw/zinc/10/83/32/1022108332.db2.gz XOUPAKOORYHUHZ-UHFFFAOYSA-N 1 0 318.417 3.827 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC001168978404 1022196985 /nfs/dbraw/zinc/19/69/85/1022196985.db2.gz RVVTXKREZITGBY-XFBWCDHKSA-N 1 0 308.809 3.826 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC001168978402 1022197780 /nfs/dbraw/zinc/19/77/80/1022197780.db2.gz RVVTXKREZITGBY-LYRGGWFBSA-N 1 0 308.809 3.826 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3cccs3)c2)C1 ZINC001168985272 1022199539 /nfs/dbraw/zinc/19/95/39/1022199539.db2.gz SRCLNWRDQCEXIO-GOEBONIOSA-N 1 0 316.426 3.950 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2c(Cl)cccc2Cl)C1 ZINC001168966537 1022203415 /nfs/dbraw/zinc/20/34/15/1022203415.db2.gz JEEQGZIJXWQZBR-MNOVXSKESA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)C1 ZINC001168967577 1022203864 /nfs/dbraw/zinc/20/38/64/1022203864.db2.gz QZEVBIUXMGDXEX-NEPJUHHUSA-N 1 0 317.216 3.571 20 5 DHBDRO CCC1CCC([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000921046782 1022208801 /nfs/dbraw/zinc/20/88/01/1022208801.db2.gz RUJABCSSWLXENR-UHFFFAOYSA-N 1 0 316.405 3.803 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(CC3CC3)CCC(F)(F)CC2)C1 ZINC001168999686 1022210300 /nfs/dbraw/zinc/21/03/00/1022210300.db2.gz UHWFLEWCARBTBC-ZIAGYGMSSA-N 1 0 316.392 3.770 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)C1 ZINC001168997073 1022210695 /nfs/dbraw/zinc/21/06/95/1022210695.db2.gz XGGXSRLDMZMOTL-UKRRQHHQSA-N 1 0 322.836 3.698 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c(Cl)cccc32)C1 ZINC001169002539 1022210755 /nfs/dbraw/zinc/21/07/55/1022210755.db2.gz KXBBKEMEERPEES-WQGACYEGSA-N 1 0 308.809 3.752 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CCC2)C1 ZINC001168997021 1022210938 /nfs/dbraw/zinc/21/09/38/1022210938.db2.gz BBEDGIRLQDAHOF-DOTOQJQBSA-N 1 0 320.408 3.574 20 5 DHBDRO Cc1ccc(CC(C)(C)C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168997138 1022211090 /nfs/dbraw/zinc/21/10/90/1022211090.db2.gz XUOBWKKSRRYODF-IRXDYDNUSA-N 1 0 304.434 3.599 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001169012830 1022214941 /nfs/dbraw/zinc/21/49/41/1022214941.db2.gz SEWUFRZNKIRYOK-DYVFJYSZSA-N 1 0 322.836 3.965 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@H]2c2ccccc2F)C1 ZINC001169030158 1022218751 /nfs/dbraw/zinc/21/87/51/1022218751.db2.gz XAZPJCZDPWPBBP-CPUCHLNUSA-N 1 0 306.381 3.798 20 5 DHBDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035639 1022221377 /nfs/dbraw/zinc/22/13/77/1022221377.db2.gz KYSYWMBIJLOKLQ-JSGCOSHPSA-N 1 0 316.323 3.583 20 5 DHBDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035636 1022223028 /nfs/dbraw/zinc/22/30/28/1022223028.db2.gz KYSYWMBIJLOKLQ-GXTWGEPZSA-N 1 0 316.323 3.583 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC001169039795 1022224784 /nfs/dbraw/zinc/22/47/84/1022224784.db2.gz UBDYVHANYWMHCE-XPKDYRNWSA-N 1 0 308.809 3.575 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC001169041154 1022224819 /nfs/dbraw/zinc/22/48/19/1022224819.db2.gz BCDHREXMOVGFAQ-VBNZEHGJSA-N 1 0 308.809 3.922 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C2CC2)c1 ZINC001167735354 1022228389 /nfs/dbraw/zinc/22/83/89/1022228389.db2.gz ZUEZOMHFZJCUDS-ROUUACIJSA-N 1 0 316.401 3.517 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC001169025996 1022229070 /nfs/dbraw/zinc/22/90/70/1022229070.db2.gz KKOHYJVBJBOJDS-UHOFOFEASA-N 1 0 308.809 3.922 20 5 DHBDRO Cc1cc(C)cc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169046717 1022229211 /nfs/dbraw/zinc/22/92/11/1022229211.db2.gz MGEKNWYCNNRAKY-NXHRZFHOSA-N 1 0 302.418 3.886 20 5 DHBDRO CC[C@@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104688353 1022231012 /nfs/dbraw/zinc/23/10/12/1022231012.db2.gz DCCOZHUQXXINHH-GFCCVEGCSA-N 1 0 303.362 3.523 20 5 DHBDRO Cc1cccc(C[N@H+](C2CC2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1C ZINC001169053918 1022231231 /nfs/dbraw/zinc/23/12/31/1022231231.db2.gz KJMNUZQDOINTMF-QAPCUYQASA-N 1 0 302.418 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC34CCCCC4)nc2c1 ZINC000517671659 1022328529 /nfs/dbraw/zinc/32/85/29/1022328529.db2.gz JMOLSBGQSSRUOK-UHFFFAOYSA-N 1 0 314.389 3.770 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000609800983 1022352471 /nfs/dbraw/zinc/35/24/71/1022352471.db2.gz ZJHDIHBMHQWWKD-KRWDZBQOSA-N 1 0 314.410 3.885 20 5 DHBDRO Cc1ccc(C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000610090216 1022419345 /nfs/dbraw/zinc/41/93/45/1022419345.db2.gz WGXGEEMKQGCYQF-ACJLOTCBSA-N 1 0 320.433 3.570 20 5 DHBDRO CC1(C)Cc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000103340244 1022499323 /nfs/dbraw/zinc/49/93/23/1022499323.db2.gz YOPWFADGNULDJI-UHFFFAOYSA-N 1 0 312.369 3.598 20 5 DHBDRO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417316734 1022673908 /nfs/dbraw/zinc/67/39/08/1022673908.db2.gz UUHNATIWVBJODG-GLJUWKHASA-N 1 0 318.417 3.767 20 5 DHBDRO CC(C)(CO)CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318242 1022674086 /nfs/dbraw/zinc/67/40/86/1022674086.db2.gz YJCMEULDFCPQEN-QGZVFWFLSA-N 1 0 320.433 3.751 20 5 DHBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417319231 1022680468 /nfs/dbraw/zinc/68/04/68/1022680468.db2.gz BKNOSPPCYXVRMB-FRFSOERESA-N 1 0 304.390 3.519 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCc3c2cc(F)cc3F)cccc1[N+](=O)[O-] ZINC000616289612 1022683616 /nfs/dbraw/zinc/68/36/16/1022683616.db2.gz DDBAXZTXRADCOU-INIZCTEOSA-N 1 0 318.323 3.959 20 5 DHBDRO CC(C)(C)OCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000584876799 1022837832 /nfs/dbraw/zinc/83/78/32/1022837832.db2.gz XCKOIJLUWFXOFV-OAHLLOKOSA-N 1 0 306.406 3.722 20 5 DHBDRO C[N@H+](CC(N)=O)Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000768245337 1022938759 /nfs/dbraw/zinc/93/87/59/1022938759.db2.gz PHODXTBWZBQILA-UHFFFAOYSA-N 1 0 312.800 3.564 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000123842786 1023076158 /nfs/dbraw/zinc/07/61/58/1023076158.db2.gz FNGLHVFFMFASGC-DZGCQCFKSA-N 1 0 312.369 3.558 20 5 DHBDRO CCc1nc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000184695922 1023076459 /nfs/dbraw/zinc/07/64/59/1023076459.db2.gz SNJVVRDWFWWIFB-LLVKDONJSA-N 1 0 305.403 3.507 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000123842570 1023076603 /nfs/dbraw/zinc/07/66/03/1023076603.db2.gz FNGLHVFFMFASGC-UKRRQHHQSA-N 1 0 312.369 3.558 20 5 DHBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C ZINC000781925390 1023087030 /nfs/dbraw/zinc/08/70/30/1023087030.db2.gz TVQDUNDYOHOJED-COXVUDFISA-N 1 0 306.406 3.529 20 5 DHBDRO C[C@@H](CCC1CC1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000769416623 1023144625 /nfs/dbraw/zinc/14/46/25/1023144625.db2.gz DZTQUNAZAVKXBN-AWEZNQCLSA-N 1 0 317.433 3.732 20 5 DHBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769471230 1023161710 /nfs/dbraw/zinc/16/17/10/1023161710.db2.gz RNMAZLFRYQOEAJ-NXEZZACHSA-N 1 0 313.195 3.588 20 5 DHBDRO CNC(=O)CCC[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC000769505674 1023170805 /nfs/dbraw/zinc/17/08/05/1023170805.db2.gz KBGMZKGSJYABFM-UHFFFAOYSA-N 1 0 320.436 3.951 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000108942332 1023596114 /nfs/dbraw/zinc/59/61/14/1023596114.db2.gz PPRJPSBTPFFNTF-OAHLLOKOSA-N 1 0 305.403 3.725 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCSC(F)(F)F ZINC000178420314 1023601172 /nfs/dbraw/zinc/60/11/72/1023601172.db2.gz ICVDQTNTXZFLKA-JTQLQIEISA-N 1 0 322.352 3.759 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCSC(F)(F)F ZINC000786809888 1023730950 /nfs/dbraw/zinc/73/09/50/1023730950.db2.gz AFTNYFNMLUFZHB-YFHOEESVSA-N 1 0 320.336 3.841 20 5 DHBDRO CCC[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000112377029 1023803864 /nfs/dbraw/zinc/80/38/64/1023803864.db2.gz HHMBIWYCFDRLMA-AWEZNQCLSA-N 1 0 320.414 3.574 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1F ZINC000788480117 1023891168 /nfs/dbraw/zinc/89/11/68/1023891168.db2.gz HYAHATRIJXIZLI-OAHLLOKOSA-N 1 0 322.380 3.658 20 5 DHBDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788477239 1023891860 /nfs/dbraw/zinc/89/18/60/1023891860.db2.gz BTSIMICVLGTNEM-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589370 1023910263 /nfs/dbraw/zinc/91/02/63/1023910263.db2.gz BDYQMVVJSNHGRR-DOMZBBRYSA-N 1 0 311.385 3.558 20 5 DHBDRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788588311 1023910543 /nfs/dbraw/zinc/91/05/43/1023910543.db2.gz LKBRACKISRXATK-BBRMVZONSA-N 1 0 313.401 3.849 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000788684771 1023918785 /nfs/dbraw/zinc/91/87/85/1023918785.db2.gz FADHEDMVPPTXNS-LKFCYVNXSA-N 1 0 318.377 3.584 20 5 DHBDRO CSc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788759505 1023929950 /nfs/dbraw/zinc/92/99/50/1023929950.db2.gz ULCZLXOJOMZKGM-NSHDSACASA-N 1 0 317.414 3.750 20 5 DHBDRO C[C@@H]([NH2+]CC1CCC(F)(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788823884 1023942035 /nfs/dbraw/zinc/94/20/35/1023942035.db2.gz RCGHRYWBJSCPGI-SNVBAGLBSA-N 1 0 313.348 3.653 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268748648 1024149751 /nfs/dbraw/zinc/14/97/51/1024149751.db2.gz IUPJGHKYPRKFSV-BZNIZROVSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268749650 1024153482 /nfs/dbraw/zinc/15/34/82/1024153482.db2.gz IUPJGHKYPRKFSV-ZBEGNZNMSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)COC2 ZINC000268952247 1024200121 /nfs/dbraw/zinc/20/01/21/1024200121.db2.gz SQINLRHWYDOQEK-ZDUSSCGKSA-N 1 0 312.369 3.518 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000269061972 1024231735 /nfs/dbraw/zinc/23/17/35/1024231735.db2.gz XZDNDUYFCUNWLD-MWLCHTKSSA-N 1 0 320.311 3.521 20 5 DHBDRO COC1CCC([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000269058711 1024233441 /nfs/dbraw/zinc/23/34/41/1024233441.db2.gz ZGGHEAUGXQHXKT-UHFFFAOYSA-N 1 0 312.797 3.638 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000531725099 1024297107 /nfs/dbraw/zinc/29/71/07/1024297107.db2.gz NBFOZAHTWGRICT-CJNGLKHVSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255087 1024322378 /nfs/dbraw/zinc/32/23/78/1024322378.db2.gz KPTUVORRTHSJIL-LBPRGKRZSA-N 1 0 312.360 3.941 20 5 DHBDRO CC(C)=CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000790683032 1024364762 /nfs/dbraw/zinc/36/47/62/1024364762.db2.gz LGYREWLFCJQYAT-UHFFFAOYSA-N 1 0 303.406 3.510 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000883351847 1024396499 /nfs/dbraw/zinc/39/64/99/1024396499.db2.gz NCQUFVJBPABOAW-OIISXLGYSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)nc1 ZINC000270500086 1024399017 /nfs/dbraw/zinc/39/90/17/1024399017.db2.gz NPXXKHNLUZAKOQ-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000270630310 1024409783 /nfs/dbraw/zinc/40/97/83/1024409783.db2.gz MALHXNMYNARLMK-JMSVASOKSA-N 1 0 320.414 3.819 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000453246157 1024423414 /nfs/dbraw/zinc/42/34/14/1024423414.db2.gz MJKBGZGAYHHKMJ-XBFCOCLRSA-N 1 0 312.360 3.939 20 5 DHBDRO CCC[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453353451 1024478720 /nfs/dbraw/zinc/47/87/20/1024478720.db2.gz HXTGUJQWPTWRLS-MSOLQXFVSA-N 1 0 318.417 3.939 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000453399606 1024497555 /nfs/dbraw/zinc/49/75/55/1024497555.db2.gz ANDZBAMWDFJFMB-KGLIPLIRSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000532188091 1024569988 /nfs/dbraw/zinc/56/99/88/1024569988.db2.gz AKRCRWMPHOMCKJ-JKSUJKDBSA-N 1 0 319.449 3.818 20 5 DHBDRO CCn1ccc(CN(C)Cc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000792182412 1024643966 /nfs/dbraw/zinc/64/39/66/1024643966.db2.gz DPDGFEMFDBKKAI-UHFFFAOYSA-N 1 0 307.781 3.702 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccoc1 ZINC000349250023 1024691308 /nfs/dbraw/zinc/69/13/08/1024691308.db2.gz XQCZOHRZLYZVMV-ZDUSSCGKSA-N 1 0 306.387 3.848 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccs2)c([N+](=O)[O-])c1 ZINC001170300219 1024729437 /nfs/dbraw/zinc/72/94/37/1024729437.db2.gz YOCXRZOGIVQVEA-RYUDHWBXSA-N 1 0 320.414 3.947 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC23CCCCC3)c([N+](=O)[O-])c1 ZINC001170318934 1024741663 /nfs/dbraw/zinc/74/16/63/1024741663.db2.gz SVMJWEBYYFRWOY-CXAGYDPISA-N 1 0 318.417 3.847 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@](C)(F)CC2)c([N+](=O)[O-])c1 ZINC001170330049 1024745467 /nfs/dbraw/zinc/74/54/67/1024745467.db2.gz XGVXQWNYIJANST-DYVFJYSZSA-N 1 0 324.396 3.749 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC001170336389 1024747314 /nfs/dbraw/zinc/74/73/14/1024747314.db2.gz XKGRZGGRKRHIIS-KBPBESRZSA-N 1 0 306.406 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170334437 1024747403 /nfs/dbraw/zinc/74/74/03/1024747403.db2.gz DSLFKUGPLGOYSP-SQWLQELKSA-N 1 0 318.417 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001170306603 1024748187 /nfs/dbraw/zinc/74/81/87/1024748187.db2.gz YJKALVSYXQWGPQ-PYTWLRIVSA-N 1 0 318.417 3.703 20 5 DHBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170353610 1024751154 /nfs/dbraw/zinc/75/11/54/1024751154.db2.gz ZXYCLSMDARBLAJ-ZIAGYGMSSA-N 1 0 306.406 3.656 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCCc3ccccc3CC2)cc1[N+](=O)[O-] ZINC001170342508 1024758126 /nfs/dbraw/zinc/75/81/26/1024758126.db2.gz OLPFYBLJLWTAAS-UHFFFAOYSA-N 1 0 310.397 3.894 20 5 DHBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749685130 1024770025 /nfs/dbraw/zinc/77/00/25/1024770025.db2.gz AZIPDZWNUYWDRU-RRQGHBQHSA-N 1 0 306.406 3.529 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000269648014 1024773181 /nfs/dbraw/zinc/77/31/81/1024773181.db2.gz GYDMQGUSBIGJRX-KRWDZBQOSA-N 1 0 300.333 3.975 20 5 DHBDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865933 1024808652 /nfs/dbraw/zinc/80/86/52/1024808652.db2.gz DLJVZRQJPTZDOZ-AWEZNQCLSA-N 1 0 307.350 3.514 20 5 DHBDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879192 1024819695 /nfs/dbraw/zinc/81/96/95/1024819695.db2.gz FRBFCSVDLXBYHH-SMDDNHRTSA-N 1 0 307.350 3.514 20 5 DHBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000792875140 1024821223 /nfs/dbraw/zinc/82/12/23/1024821223.db2.gz ZLOCYUDLSBZVLM-UHFFFAOYSA-N 1 0 307.350 3.656 20 5 DHBDRO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC001170424648 1024865771 /nfs/dbraw/zinc/86/57/71/1024865771.db2.gz OGIGWHLLLVIHQZ-WBVHZDCISA-N 1 0 318.417 3.732 20 5 DHBDRO C[C@H]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000793346713 1024987590 /nfs/dbraw/zinc/98/75/90/1024987590.db2.gz JCJNTJQNDGBBQB-GJZGRUSLSA-N 1 0 317.433 3.589 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000877139849 1033254661 /nfs/dbraw/zinc/25/46/61/1033254661.db2.gz CVCHTNQWDNDPOR-SFHVURJKSA-N 1 0 318.417 3.603 20 5 DHBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000793351211 1025019839 /nfs/dbraw/zinc/01/98/39/1025019839.db2.gz HERMLTBBZBBJCS-ZDUSSCGKSA-N 1 0 307.350 3.514 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000353449758 1025075875 /nfs/dbraw/zinc/07/58/75/1025075875.db2.gz SIYYQVJYHOTUQF-MRXNPFEDSA-N 1 0 322.405 3.623 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000539056652 1033259473 /nfs/dbraw/zinc/25/94/73/1033259473.db2.gz USSPFCOUZMCGFJ-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO CCSCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000135295571 1025209088 /nfs/dbraw/zinc/20/90/88/1025209088.db2.gz UVDSUEIDRQBPNP-SNVBAGLBSA-N 1 0 302.827 3.870 20 5 DHBDRO Cc1[nH]c(C2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)[nH+]c1C ZINC000884707297 1025230870 /nfs/dbraw/zinc/23/08/70/1025230870.db2.gz GEFKUNWZTDPRRK-UHFFFAOYSA-N 1 0 314.389 3.627 20 5 DHBDRO C[C@@H](C[NH2+][C@H](C)C1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000897464798 1025369592 /nfs/dbraw/zinc/36/95/92/1025369592.db2.gz OPBOIRHACRNMRS-QWHCGFSZSA-N 1 0 308.447 3.820 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000885983904 1025426035 /nfs/dbraw/zinc/42/60/35/1025426035.db2.gz STQDCJDQSPNIRZ-INIZCTEOSA-N 1 0 311.385 3.760 20 5 DHBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886014094 1025439087 /nfs/dbraw/zinc/43/90/87/1025439087.db2.gz BWHGTUSGCIDNSU-ZBFHGGJFSA-N 1 0 311.385 3.676 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000804812680 1025486177 /nfs/dbraw/zinc/48/61/77/1025486177.db2.gz KQHXSIIHWGOHMQ-TZMCWYRMSA-N 1 0 323.824 3.620 20 5 DHBDRO CC(C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000728926186 1025487541 /nfs/dbraw/zinc/48/75/41/1025487541.db2.gz DPFGKKCBKGUGMX-UHFFFAOYSA-N 1 0 318.348 3.638 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC000886111670 1025511918 /nfs/dbraw/zinc/51/19/18/1025511918.db2.gz GMWWRFLBOXIEFG-MJEQTWJJSA-N 1 0 304.390 3.511 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCSC1 ZINC000573719944 1025743952 /nfs/dbraw/zinc/74/39/52/1025743952.db2.gz MTGWBLPOBLYUQE-JEMSNHSXSA-N 1 0 306.431 3.731 20 5 DHBDRO CC(C)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000073181792 1025772481 /nfs/dbraw/zinc/77/24/81/1025772481.db2.gz GTEGMWBGWIHQQI-UHFFFAOYSA-N 1 0 318.377 3.511 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000806134841 1025778083 /nfs/dbraw/zinc/77/80/83/1025778083.db2.gz OOOPIIGJVBYLMO-HZMBPMFUSA-N 1 0 317.776 3.981 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886700584 1025811482 /nfs/dbraw/zinc/81/14/82/1025811482.db2.gz BXTYBKZWUWRAAA-HIFRSBDPSA-N 1 0 304.390 3.513 20 5 DHBDRO CO[C@@H]1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000076347834 1025864771 /nfs/dbraw/zinc/86/47/71/1025864771.db2.gz KRUDQKLCGHVLPN-MRXNPFEDSA-N 1 0 323.392 3.557 20 5 DHBDRO Cc1c([C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000089512892 1026053304 /nfs/dbraw/zinc/05/33/04/1026053304.db2.gz VTPQUQOTLRZWGZ-CQSZACIVSA-N 1 0 319.449 3.817 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289640445 1026110087 /nfs/dbraw/zinc/11/00/87/1026110087.db2.gz FOLGJPBOHMPOJX-KCXAZCMYSA-N 1 0 304.390 3.545 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289652353 1026113202 /nfs/dbraw/zinc/11/32/02/1026113202.db2.gz TWFCIOPFHZVQDF-KBRIMQKVSA-N 1 0 316.401 3.689 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000808721557 1026367301 /nfs/dbraw/zinc/36/73/01/1026367301.db2.gz OKLCZRHXPINWBZ-SUNYJGFJSA-N 1 0 314.385 3.676 20 5 DHBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000513497556 1026522818 /nfs/dbraw/zinc/52/28/18/1026522818.db2.gz YNUYTRNKMVVISF-AWEZNQCLSA-N 1 0 314.385 3.666 20 5 DHBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cnc1Cl ZINC000809688715 1026594820 /nfs/dbraw/zinc/59/48/20/1026594820.db2.gz OFRTWMWNBAEBCF-UHFFFAOYSA-N 1 0 319.792 3.626 20 5 DHBDRO CCc1noc(C)c1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000293725761 1026849399 /nfs/dbraw/zinc/84/93/99/1026849399.db2.gz OAFLYPYQMLPTFN-LBPRGKRZSA-N 1 0 317.389 3.565 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000575748829 1027496156 /nfs/dbraw/zinc/49/61/56/1027496156.db2.gz OHLYIOBOJURSMK-FPMFFAJLSA-N 1 0 310.369 3.925 20 5 DHBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000295976627 1027509360 /nfs/dbraw/zinc/50/93/60/1027509360.db2.gz KTZUACCISLNTRM-CZUORRHYSA-N 1 0 306.406 3.711 20 5 DHBDRO Cc1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(C)o1 ZINC000778113779 1027595766 /nfs/dbraw/zinc/59/57/66/1027595766.db2.gz CPEZAWPLWMUQBW-UHFFFAOYSA-N 1 0 308.765 3.790 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000933089325 1027673975 /nfs/dbraw/zinc/67/39/75/1027673975.db2.gz QTGQHRZYLMDPLD-KRWDZBQOSA-N 1 0 318.417 3.542 20 5 DHBDRO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000577096650 1027706813 /nfs/dbraw/zinc/70/68/13/1027706813.db2.gz FDBOSUSZEWCRAA-GJZGRUSLSA-N 1 0 307.438 3.674 20 5 DHBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC1(C)C ZINC000577298472 1027743604 /nfs/dbraw/zinc/74/36/04/1027743604.db2.gz OECBDSUQLXKAOB-NHYWBVRUSA-N 1 0 301.390 3.643 20 5 DHBDRO Cc1cc([C@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000364017067 1027795866 /nfs/dbraw/zinc/79/58/66/1027795866.db2.gz ZFTSMRXURVFKBI-ZFWWWQNUSA-N 1 0 314.389 3.567 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000601173595 1028013116 /nfs/dbraw/zinc/01/31/16/1028013116.db2.gz DIBWEOXPOJCYIU-OAHLLOKOSA-N 1 0 314.389 3.539 20 5 DHBDRO C[C@H]([NH2+]CC1([C@@H]2CCCCO2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000601305401 1028070328 /nfs/dbraw/zinc/07/03/28/1028070328.db2.gz XHFMCMFWDQFBTH-YOEHRIQHSA-N 1 0 318.417 3.985 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)CCC2 ZINC000601306100 1028071056 /nfs/dbraw/zinc/07/10/56/1028071056.db2.gz AKUKTVBDZDVVDG-FRRDWIJNSA-N 1 0 300.280 3.513 20 5 DHBDRO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000563656638 1028149857 /nfs/dbraw/zinc/14/98/57/1028149857.db2.gz NTGFRWDHSIVWFG-HIFRSBDPSA-N 1 0 307.438 3.674 20 5 DHBDRO OC[C@H]1[C@@H]2C[N@H+](Cc3c4ccccc4cc4ccccc43)C[C@H]12 ZINC000367840597 1028247218 /nfs/dbraw/zinc/24/72/18/1028247218.db2.gz QUHDGYDJFWQHQC-AERCQKQUSA-N 1 0 303.405 3.663 20 5 DHBDRO C[C@H]([NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000564164689 1028334840 /nfs/dbraw/zinc/33/48/40/1028334840.db2.gz HLVFRUVNDPIBIY-ZDUSSCGKSA-N 1 0 314.389 3.531 20 5 DHBDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000579258183 1028362565 /nfs/dbraw/zinc/36/25/65/1028362565.db2.gz DYEIDVQDCVSPMB-MLGOLLRUSA-N 1 0 314.389 3.710 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1 ZINC000449091094 1028363695 /nfs/dbraw/zinc/36/36/95/1028363695.db2.gz PMIDCWRLNLRFNR-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368612167 1028386286 /nfs/dbraw/zinc/38/62/86/1028386286.db2.gz IFNQOFQYZLIGGG-GOEBONIOSA-N 1 0 311.385 3.615 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000449156143 1028409195 /nfs/dbraw/zinc/40/91/95/1028409195.db2.gz NOAVPWIVXONUMQ-LSDHHAIUSA-N 1 0 314.385 3.583 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000449193160 1028431105 /nfs/dbraw/zinc/43/11/05/1028431105.db2.gz VKZSJZYOZBRYKP-DDDRJPGCSA-N 1 0 322.408 3.701 20 5 DHBDRO CC(C)c1csc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449193730 1028433393 /nfs/dbraw/zinc/43/33/93/1028433393.db2.gz NTCOUJCEUDGDPD-LBPRGKRZSA-N 1 0 319.430 3.896 20 5 DHBDRO Cc1ccsc1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449201375 1028454652 /nfs/dbraw/zinc/45/46/52/1028454652.db2.gz GVEJRDHZMXLCLU-CYBMUJFWSA-N 1 0 304.415 3.728 20 5 DHBDRO COc1cccc(C2([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000564789134 1028502952 /nfs/dbraw/zinc/50/29/52/1028502952.db2.gz PXUPWKQUQBFUFF-ZDUSSCGKSA-N 1 0 312.369 3.943 20 5 DHBDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)c1 ZINC000009902461 1028523307 /nfs/dbraw/zinc/52/33/07/1028523307.db2.gz ZMALESNVUFBESL-SFHVURJKSA-N 1 0 312.369 3.941 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(F)(F)F)CCC1 ZINC000449320148 1028550459 /nfs/dbraw/zinc/55/04/59/1028550459.db2.gz HXMHEKOWOWIBBM-LLVKDONJSA-N 1 0 316.323 3.848 20 5 DHBDRO Cc1ccc([C@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815583023 1028553663 /nfs/dbraw/zinc/55/36/63/1028553663.db2.gz VGDMHSVRZWAZIP-ZIAGYGMSSA-N 1 0 313.401 3.940 20 5 DHBDRO C[C@@H]([NH2+]Cc1coc2ccccc12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593587 1028561425 /nfs/dbraw/zinc/56/14/25/1028561425.db2.gz QZYKZHLRNNJVBU-LLVKDONJSA-N 1 0 311.341 3.774 20 5 DHBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571296 1028564860 /nfs/dbraw/zinc/56/48/60/1028564860.db2.gz ZXGGBQZIGFIYQQ-SJCJKPOMSA-N 1 0 311.385 3.824 20 5 DHBDRO CS[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000815615421 1028568813 /nfs/dbraw/zinc/56/88/13/1028568813.db2.gz PJHPXSFSZMMSHA-IINYFYTJSA-N 1 0 311.451 3.605 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC3(CC3)C2)s1 ZINC000449371552 1028582161 /nfs/dbraw/zinc/58/21/61/1028582161.db2.gz WEMSWIGTAUCLQD-UHFFFAOYSA-N 1 0 300.383 3.919 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCc3ccccc32)cs1 ZINC000449373248 1028586064 /nfs/dbraw/zinc/58/60/64/1028586064.db2.gz BKIZONUASXLQSF-CQSZACIVSA-N 1 0 302.399 3.866 20 5 DHBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449375561 1028586014 /nfs/dbraw/zinc/58/60/14/1028586014.db2.gz HPSVZYNPAUUUCB-ZDUSSCGKSA-N 1 0 320.414 3.526 20 5 DHBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492140 1028687463 /nfs/dbraw/zinc/68/74/63/1028687463.db2.gz IOFVRKLUMTYNRU-RDTXWAMCSA-N 1 0 320.433 3.965 20 5 DHBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000566248088 1028691658 /nfs/dbraw/zinc/69/16/58/1028691658.db2.gz LQNWHUTUJRHWQH-UHFFFAOYSA-N 1 0 305.403 3.949 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C/C=C/c3ccncc3)C2)cc1 ZINC000449496270 1028709863 /nfs/dbraw/zinc/70/98/63/1028709863.db2.gz GLONTQKYXYMCKX-ZDBPOJEVSA-N 1 0 323.396 3.883 20 5 DHBDRO CO[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000449499312 1028713836 /nfs/dbraw/zinc/71/38/36/1028713836.db2.gz LSXYFOSUFVJAKU-QXSWTLKVSA-N 1 0 318.417 3.745 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccncc3F)C2)cc1 ZINC000449499154 1028714022 /nfs/dbraw/zinc/71/40/22/1028714022.db2.gz LOVPWAIYFZUSDT-AWEZNQCLSA-N 1 0 315.348 3.509 20 5 DHBDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449502753 1028721551 /nfs/dbraw/zinc/72/15/51/1028721551.db2.gz XACLSVTUCVCLMV-RKVPGOIHSA-N 1 0 320.433 3.567 20 5 DHBDRO CC(C)[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000077323259 1028825098 /nfs/dbraw/zinc/82/50/98/1028825098.db2.gz RSIMDXVXYKROFR-UHFFFAOYSA-N 1 0 312.797 3.638 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2c1cccc2O ZINC000567061511 1028827938 /nfs/dbraw/zinc/82/79/38/1028827938.db2.gz YQUIUIPZWKCHHF-HZPDHXFCSA-N 1 0 310.353 3.565 20 5 DHBDRO Cc1cc(C)c(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000449735488 1028953626 /nfs/dbraw/zinc/95/36/26/1028953626.db2.gz RARHAADTAZMDCC-AWEZNQCLSA-N 1 0 313.401 3.718 20 5 DHBDRO C[C@H](Cc1ccsc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000570551390 1029382886 /nfs/dbraw/zinc/38/28/86/1029382886.db2.gz AHNFAOYZCGNEKB-CYBMUJFWSA-N 1 0 304.415 3.762 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCCC2CCCC2)c1 ZINC000819122989 1029492127 /nfs/dbraw/zinc/49/21/27/1029492127.db2.gz RRRRXUOMMGDIEI-KRWDZBQOSA-N 1 0 306.406 3.578 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)ccc1[N+](=O)[O-] ZINC000451164804 1029809352 /nfs/dbraw/zinc/80/93/52/1029809352.db2.gz LCSPVYVNSCLEBJ-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC[C@H]3CCCCO3)C2)cc1 ZINC000451543118 1029906483 /nfs/dbraw/zinc/90/64/83/1029906483.db2.gz AWXCCVSRQMNJQW-FUHWJXTLSA-N 1 0 318.417 3.733 20 5 DHBDRO CCOC1CC(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451544108 1029906544 /nfs/dbraw/zinc/90/65/44/1029906544.db2.gz DSELMILMJLBGTG-HQVVEAJESA-N 1 0 318.417 3.589 20 5 DHBDRO C[C@H](NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467839110 1029976080 /nfs/dbraw/zinc/97/60/80/1029976080.db2.gz MXKNJYRWWLRGKE-CABCVRRESA-N 1 0 319.449 3.756 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000290269288 1029976873 /nfs/dbraw/zinc/97/68/73/1029976873.db2.gz LHOKGZCAGGFGAK-KKXDTOCCSA-N 1 0 314.385 3.758 20 5 DHBDRO CC(C)(C)OC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000865697940 1029979681 /nfs/dbraw/zinc/97/96/81/1029979681.db2.gz HKZUGIBQQTVXTR-UHFFFAOYSA-N 1 0 306.406 3.811 20 5 DHBDRO CSc1cc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])ccn1 ZINC000357368385 1030019103 /nfs/dbraw/zinc/01/91/03/1030019103.db2.gz OBQVPNGHAMRXCN-GQCTYLIASA-N 1 0 315.398 3.515 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000865777724 1030019158 /nfs/dbraw/zinc/01/91/58/1030019158.db2.gz BCLIUHLRBAKVHU-CYBMUJFWSA-N 1 0 324.808 3.545 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000865832004 1030047216 /nfs/dbraw/zinc/04/72/16/1030047216.db2.gz GJAAWFUZGLRNMJ-CHWSQXEVSA-N 1 0 300.280 3.582 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cccc(Cl)c1 ZINC000557192561 1030047472 /nfs/dbraw/zinc/04/74/72/1030047472.db2.gz DZIAGOHMVSAPHP-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c(F)c1 ZINC000865830639 1030048063 /nfs/dbraw/zinc/04/80/63/1030048063.db2.gz SHSNMDFDZABTQJ-DGCLKSJQSA-N 1 0 318.270 3.721 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccsc1 ZINC000866222840 1030166013 /nfs/dbraw/zinc/16/60/13/1030166013.db2.gz ZCTPTNIFKHDJDB-LLVKDONJSA-N 1 0 308.378 3.559 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]c3ccccc31)CCO2 ZINC000357774914 1030182107 /nfs/dbraw/zinc/18/21/07/1030182107.db2.gz MZAOZHSVYQGJKH-UHFFFAOYSA-N 1 0 321.336 3.542 20 5 DHBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267033 1030191181 /nfs/dbraw/zinc/19/11/81/1030191181.db2.gz YPSIRSXLIMMHRL-UWVGGRQHSA-N 1 0 321.352 3.621 20 5 DHBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000357793198 1030193696 /nfs/dbraw/zinc/19/36/96/1030193696.db2.gz GRJAFCZXXGBMFT-IRXDYDNUSA-N 1 0 318.417 3.683 20 5 DHBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000357793202 1030193726 /nfs/dbraw/zinc/19/37/26/1030193726.db2.gz GRJAFCZXXGBMFT-SJORKVTESA-N 1 0 318.417 3.683 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CC(F)(F)F ZINC000866339397 1030239922 /nfs/dbraw/zinc/23/99/22/1030239922.db2.gz BFZRDQNDEGMTTQ-BDAKNGLRSA-N 1 0 308.275 3.595 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000290900350 1030243439 /nfs/dbraw/zinc/24/34/39/1030243439.db2.gz NXEIUFRLNNCLTF-LDYMZIIASA-N 1 0 319.188 3.559 20 5 DHBDRO CCC[C@H]([NH2+]Cc1ccnc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000866474738 1030313076 /nfs/dbraw/zinc/31/30/76/1030313076.db2.gz RXBHNHQAGSOBTC-HNNXBMFYSA-N 1 0 303.337 3.760 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000925231886 1030313295 /nfs/dbraw/zinc/31/32/95/1030313295.db2.gz VCUSKRVXSZLTTL-VUNQQRPYSA-N 1 0 318.417 3.841 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](SC)C2)cc1[N+](=O)[O-] ZINC000866487462 1030321179 /nfs/dbraw/zinc/32/11/79/1030321179.db2.gz YHEHQSGHBHANEF-DRZSPHRISA-N 1 0 310.419 3.538 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C[NH+](C)C)c1 ZINC000925308061 1030341399 /nfs/dbraw/zinc/34/13/99/1030341399.db2.gz AOQLDILMGCXCMG-CQSZACIVSA-N 1 0 313.401 3.507 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866528644 1030348149 /nfs/dbraw/zinc/34/81/49/1030348149.db2.gz HIKYEUAPUOFFME-CABCVRRESA-N 1 0 318.417 3.761 20 5 DHBDRO CC[C@@H]([NH2+]CCSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358334204 1030443722 /nfs/dbraw/zinc/44/37/22/1030443722.db2.gz YANIFXDNZNKPML-GFCCVEGCSA-N 1 0 322.352 3.931 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000824080692 1030470986 /nfs/dbraw/zinc/47/09/86/1030470986.db2.gz IYLDFKIWJMLRAV-SJORKVTESA-N 1 0 306.406 3.577 20 5 DHBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000291522536 1030532257 /nfs/dbraw/zinc/53/22/57/1030532257.db2.gz JIDTYSHGHRFFDL-DYLHUKMJSA-N 1 0 318.417 3.888 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2ccccc2)c1 ZINC000237821023 1030572079 /nfs/dbraw/zinc/57/20/79/1030572079.db2.gz LTVLBYYBCJESRD-UHFFFAOYSA-N 1 0 322.311 3.529 20 5 DHBDRO COCc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000291752530 1030627381 /nfs/dbraw/zinc/62/73/81/1030627381.db2.gz QIJPLOGEQOQQKV-UHFFFAOYSA-N 1 0 314.385 3.766 20 5 DHBDRO C[C@@H]1C[C@H](c2cccnc2)N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000358829496 1030641168 /nfs/dbraw/zinc/64/11/68/1030641168.db2.gz RINUEXYAJMIXIV-SJKOYZFVSA-N 1 0 315.348 3.712 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@]1(C)CC1(Cl)Cl ZINC000824968154 1030687950 /nfs/dbraw/zinc/68/79/50/1030687950.db2.gz ASJMHVYYRYHREB-ZDUSSCGKSA-N 1 0 317.216 3.967 20 5 DHBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1(Cl)Cl ZINC000824971095 1030692073 /nfs/dbraw/zinc/69/20/73/1030692073.db2.gz OVJCLYWCFRVLPK-LBPRGKRZSA-N 1 0 321.179 3.798 20 5 DHBDRO CNC(=O)C[C@H](C)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000825067635 1030716235 /nfs/dbraw/zinc/71/62/35/1030716235.db2.gz ADPFDDAQWJOZJJ-AWEZNQCLSA-N 1 0 306.409 3.607 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@]13CCC[C@H]1OCC3)CCC2 ZINC000926917364 1030988646 /nfs/dbraw/zinc/98/86/46/1030988646.db2.gz ZVAUNDAJPWIKIX-RCCFBDPRSA-N 1 0 316.401 3.521 20 5 DHBDRO CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C2CC2)cc1OC ZINC000359587584 1031046073 /nfs/dbraw/zinc/04/60/73/1031046073.db2.gz FJMQAILPMXFFAL-LBPRGKRZSA-N 1 0 322.405 3.623 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](c2cnn(C)c2)C(C)C)cccc1[N+](=O)[O-] ZINC000927066087 1031063395 /nfs/dbraw/zinc/06/33/95/1031063395.db2.gz KRWVNEDXBQQPOE-GUYCJALGSA-N 1 0 316.405 3.685 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc3c2OCC3)cccc1[N+](=O)[O-] ZINC000927089765 1031081506 /nfs/dbraw/zinc/08/15/06/1031081506.db2.gz DYTKXKKSYWXBNG-CYBMUJFWSA-N 1 0 312.369 3.689 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000927131961 1031110012 /nfs/dbraw/zinc/11/00/12/1031110012.db2.gz ZQPHNXVOKUXFMI-BBRMVZONSA-N 1 0 304.390 3.737 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(C3CC3)cc2)c(F)c1 ZINC000359796921 1031140034 /nfs/dbraw/zinc/14/00/34/1031140034.db2.gz LISLIDQPTBRXDO-UHFFFAOYSA-N 1 0 300.333 3.901 20 5 DHBDRO CC1(C)CC[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000360124916 1031285060 /nfs/dbraw/zinc/28/50/60/1031285060.db2.gz VMEDRXNXRUYJCD-INIZCTEOSA-N 1 0 304.390 3.517 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1ccc(CF)cc1)C2 ZINC000777713423 1031400370 /nfs/dbraw/zinc/40/03/70/1031400370.db2.gz IXXBEKWBAQIBPT-UHFFFAOYSA-N 1 0 300.333 3.623 20 5 DHBDRO C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043303 1031427842 /nfs/dbraw/zinc/42/78/42/1031427842.db2.gz WQEAWXDHJJGYNL-CYBMUJFWSA-N 1 0 324.396 3.717 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000872042619 1031428747 /nfs/dbraw/zinc/42/87/47/1031428747.db2.gz CJLJCRWXBNMQMH-RWMBFGLXSA-N 1 0 324.446 3.782 20 5 DHBDRO Cc1nc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])sc1C ZINC000872043872 1031431676 /nfs/dbraw/zinc/43/16/76/1031431676.db2.gz NCNXFIAINVDHPF-SNVBAGLBSA-N 1 0 323.393 3.701 20 5 DHBDRO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047137 1031434257 /nfs/dbraw/zinc/43/42/57/1031434257.db2.gz QMAWPYZPWIPNLF-LBPRGKRZSA-N 1 0 323.412 3.647 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCOC1 ZINC000872049022 1031435748 /nfs/dbraw/zinc/43/57/48/1031435748.db2.gz OFZIFEYCXKVJQT-ABAIWWIYSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047993 1031436634 /nfs/dbraw/zinc/43/66/34/1031436634.db2.gz FVKLPIZELAIZOQ-STQMWFEESA-N 1 0 322.380 3.876 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000872052093 1031441208 /nfs/dbraw/zinc/44/12/08/1031441208.db2.gz BQLBTZUSQJEJJB-VXGBXAGGSA-N 1 0 310.419 3.536 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053925 1031443378 /nfs/dbraw/zinc/44/33/78/1031443378.db2.gz YLVYECSCSFRTEH-ZJUUUORDSA-N 1 0 321.352 3.793 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC1CCC1 ZINC000872055231 1031445508 /nfs/dbraw/zinc/44/55/08/1031445508.db2.gz GOKMQJCGABFTLX-NSHDSACASA-N 1 0 310.419 3.536 20 5 DHBDRO COC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CCC1 ZINC000872059485 1031452408 /nfs/dbraw/zinc/45/24/08/1031452408.db2.gz GACCGBCRAWNGCS-NSHDSACASA-N 1 0 310.419 3.536 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000536830050 1031457282 /nfs/dbraw/zinc/45/72/82/1031457282.db2.gz BHFXNPLNNLXMSQ-LBPRGKRZSA-N 1 0 320.776 3.978 20 5 DHBDRO CSCCCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062288 1031457214 /nfs/dbraw/zinc/45/72/14/1031457214.db2.gz FVLOTGUAOQWDQW-LLVKDONJSA-N 1 0 300.399 3.918 20 5 DHBDRO C[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872063703 1031458950 /nfs/dbraw/zinc/45/89/50/1031458950.db2.gz SENPGLLNJMRRHC-JECHBYEQSA-N 1 0 322.380 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000872066041 1031460011 /nfs/dbraw/zinc/46/00/11/1031460011.db2.gz JECVNDGYMZCOOE-QMMMGPOBSA-N 1 0 302.346 3.765 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000872066701 1031463330 /nfs/dbraw/zinc/46/33/30/1031463330.db2.gz KBUIDPKEWWLXKK-WDEREUQCSA-N 1 0 312.460 3.720 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075108 1031471663 /nfs/dbraw/zinc/47/16/63/1031471663.db2.gz OHQWCBWJUUXUQX-LBPRGKRZSA-N 1 0 317.364 3.757 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000872075424 1031472319 /nfs/dbraw/zinc/47/23/19/1031472319.db2.gz CNCWLHFZIVURRU-SLEUVZQESA-N 1 0 324.446 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000872080282 1031477219 /nfs/dbraw/zinc/47/72/19/1031477219.db2.gz VECYBGJWVJSBCQ-VOAKCMCISA-N 1 0 324.446 3.781 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088473 1031485293 /nfs/dbraw/zinc/48/52/93/1031485293.db2.gz OYGBMTGQMFYCBB-KCJUWKMLSA-N 1 0 302.296 3.676 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000872108593 1031501239 /nfs/dbraw/zinc/50/12/39/1031501239.db2.gz AMCWYSDXOCKXCA-IWCQGFGOSA-N 1 0 304.390 3.593 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872276902 1031573014 /nfs/dbraw/zinc/57/30/14/1031573014.db2.gz UCFMFSKICSDRQA-MRXNPFEDSA-N 1 0 322.380 3.658 20 5 DHBDRO CCC[C@H](NCC[N@H+](CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000360922292 1031625572 /nfs/dbraw/zinc/62/55/72/1031625572.db2.gz NOAZJFWGTNFNOG-KRWDZBQOSA-N 1 0 307.438 3.756 20 5 DHBDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293823375 1031640375 /nfs/dbraw/zinc/64/03/75/1031640375.db2.gz SCLWPXJIMZTOPB-XIKOKIGWSA-N 1 0 311.385 3.979 20 5 DHBDRO COc1cc(NCCCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360972735 1031651422 /nfs/dbraw/zinc/65/14/22/1031651422.db2.gz CRQDFVFOQJOKFA-CQSZACIVSA-N 1 0 321.421 3.527 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000873097668 1031708920 /nfs/dbraw/zinc/70/89/20/1031708920.db2.gz VKJFVPFUTPRTKX-ACJLOTCBSA-N 1 0 314.385 3.505 20 5 DHBDRO CCOC1CC(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873112901 1031711489 /nfs/dbraw/zinc/71/14/89/1031711489.db2.gz JUWAVYLBQXGZJO-UHFFFAOYSA-N 1 0 306.406 3.506 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000873101899 1031712978 /nfs/dbraw/zinc/71/29/78/1031712978.db2.gz DVRYMGDWBGAECM-CVEARBPZSA-N 1 0 306.406 3.587 20 5 DHBDRO CCc1onc(C)c1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140924 1031713971 /nfs/dbraw/zinc/71/39/71/1031713971.db2.gz LACGHZHUURLIPV-UHFFFAOYSA-N 1 0 315.373 3.618 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCC4(CC4)C3)nc2c1 ZINC000897772053 1031823910 /nfs/dbraw/zinc/82/39/10/1031823910.db2.gz LCJBLYSRONUHSZ-LLVKDONJSA-N 1 0 301.346 3.548 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897779736 1031831876 /nfs/dbraw/zinc/83/18/76/1031831876.db2.gz SCHPFBJZYHMPSK-ZSSFWRQBSA-N 1 0 316.401 3.545 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCS1 ZINC000897792850 1031835949 /nfs/dbraw/zinc/83/59/49/1031835949.db2.gz GXKZNPNNMQIIES-BXUZGUMPSA-N 1 0 306.431 3.846 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](C2CC2)C2CCOCC2)c1 ZINC000846043013 1031837781 /nfs/dbraw/zinc/83/77/81/1031837781.db2.gz SBEYRFXXYVBQMG-INIZCTEOSA-N 1 0 324.808 3.543 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)cs1 ZINC000846101438 1031872148 /nfs/dbraw/zinc/87/21/48/1031872148.db2.gz CUPTZKWJTVHAHM-SECBINFHSA-N 1 0 309.218 3.720 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000846188261 1031922183 /nfs/dbraw/zinc/92/21/83/1031922183.db2.gz MRYXGMBOKNAKTB-SUNYJGFJSA-N 1 0 314.385 3.542 20 5 DHBDRO C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1cccc([N+](=O)[O-])c1 ZINC000846192055 1031924538 /nfs/dbraw/zinc/92/45/38/1031924538.db2.gz WEAJIQPXUTZWJQ-BPNCWPANSA-N 1 0 300.761 3.950 20 5 DHBDRO CN(Cc1ccccc1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777950054 1032011295 /nfs/dbraw/zinc/01/12/95/1032011295.db2.gz FGQDEPABYCBTLA-UHFFFAOYSA-N 1 0 322.368 3.548 20 5 DHBDRO CC(C)[C@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877400409 1033295033 /nfs/dbraw/zinc/29/50/33/1033295033.db2.gz SWCJBJVISBEQPJ-QRNKSROTSA-N 1 0 320.437 3.689 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCS1 ZINC000126524978 1033307958 /nfs/dbraw/zinc/30/79/58/1033307958.db2.gz OIAPJQIDFDVONH-ZDUSSCGKSA-N 1 0 300.811 3.624 20 5 DHBDRO Cc1c(C[NH+]2CC(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001206174394 1033340716 /nfs/dbraw/zinc/34/07/16/1033340716.db2.gz MCGGBJZNVRJSPF-UHFFFAOYSA-N 1 0 300.333 3.642 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000477861452 1033357876 /nfs/dbraw/zinc/35/78/76/1033357876.db2.gz NJWAWSWVHHYWHD-RDTXWAMCSA-N 1 0 320.433 3.885 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCSC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927041081 1033419603 /nfs/dbraw/zinc/41/96/03/1033419603.db2.gz YBBUEASLYZLCOB-AAEUAGOBSA-N 1 0 321.446 3.646 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(CC3CC3)CC1)CC2 ZINC001172904896 1033438024 /nfs/dbraw/zinc/43/80/24/1033438024.db2.gz GOKDZFPYBJGOCY-MRXNPFEDSA-N 1 0 300.402 3.765 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC[C@@H](F)C1)CC2 ZINC001172907128 1033440495 /nfs/dbraw/zinc/44/04/95/1033440495.db2.gz DIJVDOPQBFAKEO-CVEARBPZSA-N 1 0 306.381 3.666 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H](F)CC1)CC2 ZINC001172907093 1033440821 /nfs/dbraw/zinc/44/08/21/1033440821.db2.gz CVZOVIHBJDQWJZ-CVEARBPZSA-N 1 0 306.381 3.666 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1CCSCC1)CC2 ZINC001172907177 1033441110 /nfs/dbraw/zinc/44/11/10/1033441110.db2.gz QCEVZSMPEYNAAM-MRXNPFEDSA-N 1 0 320.458 3.575 20 5 DHBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000877779141 1033445884 /nfs/dbraw/zinc/44/58/84/1033445884.db2.gz ZKOONCWRTISTJK-KCJUWKMLSA-N 1 0 321.204 3.541 20 5 DHBDRO C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H](C)C1 ZINC001172914828 1033464649 /nfs/dbraw/zinc/46/46/49/1033464649.db2.gz JOCQUUTUIOCQJG-CPUCHLNUSA-N 1 0 302.418 3.963 20 5 DHBDRO C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909572 1033483214 /nfs/dbraw/zinc/48/32/14/1033483214.db2.gz SOBDBTVHJPSZIK-XJKCOSOUSA-N 1 0 302.418 3.866 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@H](C)CC23CC3)c1F ZINC001173191696 1033583436 /nfs/dbraw/zinc/58/34/36/1033583436.db2.gz GKMQIBXHCYOWRE-NEPJUHHUSA-N 1 0 322.380 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCCCCCC2)c1F ZINC001173197239 1033589701 /nfs/dbraw/zinc/58/97/01/1033589701.db2.gz RUBOIFNJGKZOGM-ZDUSSCGKSA-N 1 0 324.396 3.940 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001173217930 1033598379 /nfs/dbraw/zinc/59/83/79/1033598379.db2.gz HVSZHEMLPBJQTA-CYBMUJFWSA-N 1 0 320.433 3.852 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC001173220231 1033599674 /nfs/dbraw/zinc/59/96/74/1033599674.db2.gz WCWPRENBHVNUCH-SGTLLEGYSA-N 1 0 314.360 3.942 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccccc2F)CC1 ZINC001173219918 1033600909 /nfs/dbraw/zinc/60/09/09/1033600909.db2.gz RBWAUMKAXLISHD-CYBMUJFWSA-N 1 0 314.360 3.944 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cc(F)cc(F)c1 ZINC001173222006 1033602647 /nfs/dbraw/zinc/60/26/47/1033602647.db2.gz RYEDADAMJOQEPA-LBPRGKRZSA-N 1 0 320.339 3.636 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1c(F)cccc1F ZINC001173221368 1033603108 /nfs/dbraw/zinc/60/31/08/1033603108.db2.gz MOMUTLLNYDAWSS-GFCCVEGCSA-N 1 0 320.339 3.636 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC001173231386 1033605120 /nfs/dbraw/zinc/60/51/20/1033605120.db2.gz BYJCYMIIEDHRPR-OAHLLOKOSA-N 1 0 318.417 3.561 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001173229517 1033606375 /nfs/dbraw/zinc/60/63/75/1033606375.db2.gz VGRYZWUBFFYMPI-STQMWFEESA-N 1 0 312.360 3.893 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC001173232636 1033608479 /nfs/dbraw/zinc/60/84/79/1033608479.db2.gz SBBKIPKWXXADAJ-ZDUSSCGKSA-N 1 0 314.360 3.723 20 5 DHBDRO Cc1ccc(F)cc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212572 1033614265 /nfs/dbraw/zinc/61/42/65/1033614265.db2.gz AZEAFNQBPBCVLX-ZDUSSCGKSA-N 1 0 302.349 3.763 20 5 DHBDRO C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000553184239 1033623428 /nfs/dbraw/zinc/62/34/28/1033623428.db2.gz ADWKBELWAFWDBU-OLZOCXBDSA-N 1 0 321.396 3.799 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C1CCC1)C1CCOCC1 ZINC001173238516 1033648068 /nfs/dbraw/zinc/64/80/68/1033648068.db2.gz UPJOXJXSDYUEHV-CQSZACIVSA-N 1 0 318.417 3.559 20 5 DHBDRO CCCCC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000878359505 1033672557 /nfs/dbraw/zinc/67/25/57/1033672557.db2.gz NOXSURKZQOKUEL-MRXNPFEDSA-N 1 0 316.405 3.740 20 5 DHBDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173439027 1033708712 /nfs/dbraw/zinc/70/87/12/1033708712.db2.gz PSAOZHYWAUWUGK-KSSFIOAISA-N 1 0 314.385 3.759 20 5 DHBDRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173439040 1033709153 /nfs/dbraw/zinc/70/91/53/1033709153.db2.gz PSAOZHYWAUWUGK-KDOFPFPSSA-N 1 0 314.385 3.759 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCc2ccccc2F)cccc1[N+](=O)[O-] ZINC000480088756 1034056438 /nfs/dbraw/zinc/05/64/38/1034056438.db2.gz IXUBOWAHZZQXJP-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO Cc1[nH+]c2cc(NCc3cccc([N+](=O)[O-])c3C)ccc2n1C ZINC000864015410 1034256848 /nfs/dbraw/zinc/25/68/48/1034256848.db2.gz DTQAEYHTFMMHSZ-UHFFFAOYSA-N 1 0 310.357 3.710 20 5 DHBDRO Cc1c(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000480489341 1034273349 /nfs/dbraw/zinc/27/33/49/1034273349.db2.gz VSYHOXIUUHOHKN-UHFFFAOYSA-N 1 0 322.368 3.583 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CCCCO2)CC1 ZINC000880456766 1034334678 /nfs/dbraw/zinc/33/46/78/1034334678.db2.gz VEFLHXSQHZKSTC-OAHLLOKOSA-N 1 0 318.417 3.999 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000880470865 1034340825 /nfs/dbraw/zinc/34/08/25/1034340825.db2.gz QLSYUIAVDHZVDM-JSGCOSHPSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794687592 1034364774 /nfs/dbraw/zinc/36/47/74/1034364774.db2.gz VZTHXDQNHYPLFD-AWEZNQCLSA-N 1 0 316.405 3.721 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c(Cl)c1 ZINC000183915979 1034428372 /nfs/dbraw/zinc/42/83/72/1034428372.db2.gz ZQFDDVFQZVWQBB-CYBMUJFWSA-N 1 0 324.808 3.830 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927164544 1034435031 /nfs/dbraw/zinc/43/50/31/1034435031.db2.gz XPCISRNZVXWYQI-YOEHRIQHSA-N 1 0 318.417 3.607 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192852015 1034710147 /nfs/dbraw/zinc/71/01/47/1034710147.db2.gz OPMRAISCXKUBPN-YVEFUNNKSA-N 1 0 316.405 3.829 20 5 DHBDRO C[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCCC1 ZINC000555462795 1034723388 /nfs/dbraw/zinc/72/33/88/1034723388.db2.gz OWPHTFXZHNIQAZ-CQSZACIVSA-N 1 0 320.437 3.645 20 5 DHBDRO CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000600155150 1034774625 /nfs/dbraw/zinc/77/46/25/1034774625.db2.gz DDWVMXACVDHIGU-HUUCEWRRSA-N 1 0 320.437 3.645 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)o2)c(Cl)c1 ZINC000600189164 1034790204 /nfs/dbraw/zinc/79/02/04/1034790204.db2.gz CSAPVGQQRFQDCB-PHIMTYICSA-N 1 0 318.760 3.960 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000193049441 1034830297 /nfs/dbraw/zinc/83/02/97/1034830297.db2.gz MJQMJMKSCHXVHL-XJKSGUPXSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000481578599 1034890868 /nfs/dbraw/zinc/89/08/68/1034890868.db2.gz UVMNCBODKINXCG-FZKCQIBNSA-N 1 0 319.449 3.612 20 5 DHBDRO Nc1ccc2cc3ccc(Nc4ccc(=O)[nH]c4)cc3[nH+]c2c1 ZINC001176131818 1035201665 /nfs/dbraw/zinc/20/16/65/1035201665.db2.gz DGQAKHKBDBWYKV-UHFFFAOYSA-N 1 0 302.337 3.814 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483115570 1035228589 /nfs/dbraw/zinc/22/85/89/1035228589.db2.gz YMMNMHAYUIIOIS-ZDUSSCGKSA-N 1 0 318.323 3.863 20 5 DHBDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000483240989 1035243923 /nfs/dbraw/zinc/24/39/23/1035243923.db2.gz VEOMAXCWZVRABO-GFCCVEGCSA-N 1 0 317.389 3.994 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCSCC[C@H]1C ZINC000483424815 1035268939 /nfs/dbraw/zinc/26/89/39/1035268939.db2.gz GEYUGRNJRNYPMM-QLKUMGTLSA-N 1 0 306.431 3.826 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001176650342 1035314706 /nfs/dbraw/zinc/31/47/06/1035314706.db2.gz QOAIPLJKCARTKK-GUYCJALGSA-N 1 0 304.365 3.744 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cccc1[N+](=O)[O-] ZINC000484150032 1035321256 /nfs/dbraw/zinc/32/12/56/1035321256.db2.gz YTRIUCNVWZKVSY-PBHICJAKSA-N 1 0 308.422 3.741 20 5 DHBDRO COc1ccc(Cl)cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001178605075 1035439851 /nfs/dbraw/zinc/43/98/51/1035439851.db2.gz COOWGFMEGSGCAM-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO Cc1nc2c(o1)CCC[C@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000924800595 1035447120 /nfs/dbraw/zinc/44/71/20/1035447120.db2.gz ZIVCCXSOEMGVFY-QMTHXVAHSA-N 1 0 301.346 3.619 20 5 DHBDRO CC1(C)C[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC001193092725 1035572754 /nfs/dbraw/zinc/57/27/54/1035572754.db2.gz GTVNUNJRFDXIRS-UHFFFAOYSA-N 1 0 306.406 3.732 20 5 DHBDRO C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000152744079 1035678552 /nfs/dbraw/zinc/67/85/52/1035678552.db2.gz ODVARDWJMWARSE-LBPRGKRZSA-N 1 0 305.422 3.555 20 5 DHBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535560996 1035687959 /nfs/dbraw/zinc/68/79/59/1035687959.db2.gz XDQVQLDQKGKLBN-INIZCTEOSA-N 1 0 315.373 3.870 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494699985 1035777228 /nfs/dbraw/zinc/77/72/28/1035777228.db2.gz AJCNDYSZYSLEOI-DZGCQCFKSA-N 1 0 304.390 3.547 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CSCCF)cc1[N+](=O)[O-] ZINC000595025107 1035852971 /nfs/dbraw/zinc/85/29/71/1035852971.db2.gz GKYGDLBEMOBFIB-NEPJUHHUSA-N 1 0 300.399 3.645 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000193023798 1035864021 /nfs/dbraw/zinc/86/40/21/1035864021.db2.gz JTIDENHKBJOLBK-CVEARBPZSA-N 1 0 317.389 3.531 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000485710404 1035885860 /nfs/dbraw/zinc/88/58/60/1035885860.db2.gz RHVBWXFFOVSFKM-GFCCVEGCSA-N 1 0 318.348 3.936 20 5 DHBDRO C[C@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000595079547 1035913078 /nfs/dbraw/zinc/91/30/78/1035913078.db2.gz KHRBYMOSIALZGN-LSDHHAIUSA-N 1 0 310.344 3.997 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCc2ccccc2CC1 ZINC001194400956 1035920136 /nfs/dbraw/zinc/92/01/36/1035920136.db2.gz NVOLPLWVQVKRNH-UHFFFAOYSA-N 1 0 314.360 3.725 20 5 DHBDRO CS[C@@H]1CCCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000539900454 1035926753 /nfs/dbraw/zinc/92/67/53/1035926753.db2.gz SUOTXMLDHFUHAT-PMGBHYCQSA-N 1 0 306.431 3.826 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)c1 ZINC000539974431 1035942115 /nfs/dbraw/zinc/94/21/15/1035942115.db2.gz POGBOFDNPZXHHF-UHFFFAOYSA-N 1 0 314.360 3.846 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000540169421 1035991554 /nfs/dbraw/zinc/99/15/54/1035991554.db2.gz SSQUIZFWZDWOOG-ZDUSSCGKSA-N 1 0 300.358 3.502 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000494819096 1036048159 /nfs/dbraw/zinc/04/81/59/1036048159.db2.gz AEBVQPZYTGZZNS-HNNXBMFYSA-N 1 0 324.808 3.639 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1F ZINC000540434283 1036071486 /nfs/dbraw/zinc/07/14/86/1036071486.db2.gz IKMXMBNUDJUTGV-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCSC(F)(F)F)CCC2 ZINC000774134997 1036194641 /nfs/dbraw/zinc/19/46/41/1036194641.db2.gz QTTNMWOCBGNWRJ-GFCCVEGCSA-N 1 0 320.336 3.815 20 5 DHBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001195509682 1036259894 /nfs/dbraw/zinc/25/98/94/1036259894.db2.gz ZBLUEXKGGKHDQS-GJZGRUSLSA-N 1 0 304.390 3.758 20 5 DHBDRO CC(C)c1ccc(C[NH+]2CCC(CCCO)CC2)cc1[N+](=O)[O-] ZINC000541246436 1036276061 /nfs/dbraw/zinc/27/60/61/1036276061.db2.gz GGZCHNWIJWLIDT-UHFFFAOYSA-N 1 0 320.433 3.703 20 5 DHBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC001195623191 1036291869 /nfs/dbraw/zinc/29/18/69/1036291869.db2.gz UUMIMLFLOQRUIR-QGZVFWFLSA-N 1 0 318.348 3.854 20 5 DHBDRO C[N+](C)(C)CCO[C@@H]1CCCc2ccc(Br)cc21 ZINC001224773104 1036313622 /nfs/dbraw/zinc/31/36/22/1036313622.db2.gz DTVWUBDDWUDREQ-OAHLLOKOSA-N 1 0 313.259 3.549 20 5 DHBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCCO1 ZINC000541773700 1036429342 /nfs/dbraw/zinc/42/93/42/1036429342.db2.gz JIECYZXGXATJST-QGZVFWFLSA-N 1 0 306.406 3.684 20 5 DHBDRO Cc1cccc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000271745114 1036509602 /nfs/dbraw/zinc/50/96/02/1036509602.db2.gz DITISDSGSNHWPD-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO CCC(C)(C)CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001183270066 1036562007 /nfs/dbraw/zinc/56/20/07/1036562007.db2.gz QCSBILNXFGYGEK-ZDUSSCGKSA-N 1 0 321.421 3.728 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000271840154 1036564044 /nfs/dbraw/zinc/56/40/44/1036564044.db2.gz BJUGWUNYNDEEJI-UONOGXRCSA-N 1 0 314.385 3.807 20 5 DHBDRO C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001196606746 1036570822 /nfs/dbraw/zinc/57/08/22/1036570822.db2.gz WOEHUBWSFRODOM-NQHOJNORSA-N 1 0 304.390 3.782 20 5 DHBDRO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000443774515 1036580604 /nfs/dbraw/zinc/58/06/04/1036580604.db2.gz AHNMELZSDZIONO-CPUCHLNUSA-N 1 0 320.433 3.700 20 5 DHBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000774625271 1036584362 /nfs/dbraw/zinc/58/43/62/1036584362.db2.gz OIEITSTXHLNXRQ-SUMWQHHRSA-N 1 0 314.389 3.536 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001183371855 1036584890 /nfs/dbraw/zinc/58/48/90/1036584890.db2.gz UVFWYIRPVLUDSM-VFGVELGVSA-N 1 0 318.442 3.683 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC000271902789 1036646422 /nfs/dbraw/zinc/64/64/22/1036646422.db2.gz VYYACGRXGPELGD-BLLLJJGKSA-N 1 0 312.369 3.942 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1ccccc1F ZINC000487680494 1036707768 /nfs/dbraw/zinc/70/77/68/1036707768.db2.gz UAWZJMNNFVNYOA-CYBMUJFWSA-N 1 0 318.348 3.806 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC23CCCCC3)cc1Cl ZINC001184066476 1036731196 /nfs/dbraw/zinc/73/11/96/1036731196.db2.gz MLMSMDHREYMAJZ-HNNXBMFYSA-N 1 0 324.808 3.830 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000492391734 1036859295 /nfs/dbraw/zinc/85/92/95/1036859295.db2.gz AOWWTTWHZMUTAH-OAHLLOKOSA-N 1 0 304.390 3.758 20 5 DHBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000488184544 1036894166 /nfs/dbraw/zinc/89/41/66/1036894166.db2.gz ZGHVEYKAAGPRTG-UHFFFAOYSA-N 1 0 319.327 3.757 20 5 DHBDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000596652807 1036966824 /nfs/dbraw/zinc/96/68/24/1036966824.db2.gz ICMMEWZOFFMPGC-NWDGAFQWSA-N 1 0 319.430 3.582 20 5 DHBDRO Cc1nc(C)c(CNCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000313191807 1036974605 /nfs/dbraw/zinc/97/46/05/1036974605.db2.gz MHWLBEIHQJVSJZ-UHFFFAOYSA-N 1 0 311.794 3.611 20 5 DHBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000488447768 1037030700 /nfs/dbraw/zinc/03/07/00/1037030700.db2.gz KNVTYPOZVQTPME-DZGCQCFKSA-N 1 0 308.447 3.647 20 5 DHBDRO CCC(CC)C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000488509805 1037052493 /nfs/dbraw/zinc/05/24/93/1037052493.db2.gz BBOQXYORJAELMI-CYBMUJFWSA-N 1 0 321.421 3.680 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC=CC23CCCCC3)cc1 ZINC001198801830 1037139150 /nfs/dbraw/zinc/13/91/50/1037139150.db2.gz XPMHQRVIBGXBRE-UHFFFAOYSA-N 1 0 316.401 3.938 20 5 DHBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774876769 1037141932 /nfs/dbraw/zinc/14/19/32/1037141932.db2.gz RXOKICIIRSGAHP-AWEZNQCLSA-N 1 0 307.350 3.514 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153741278 1037218256 /nfs/dbraw/zinc/21/82/56/1037218256.db2.gz OGVIVYYEYMFGSL-LSDHHAIUSA-N 1 0 317.433 3.571 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3ccc(O)cc32)cc1 ZINC000322677722 1037233732 /nfs/dbraw/zinc/23/37/32/1037233732.db2.gz HJRONPLUMZHNDI-SFHVURJKSA-N 1 0 312.369 3.510 20 5 DHBDRO C[NH+](C)CC1(CNc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC001186060943 1037311655 /nfs/dbraw/zinc/31/16/55/1037311655.db2.gz CUGDHFPEIRIMRJ-UHFFFAOYSA-N 1 0 311.813 3.782 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000776019951 1037334973 /nfs/dbraw/zinc/33/49/73/1037334973.db2.gz USVKGFQKFGPWLL-QZTJIDSGSA-N 1 0 320.433 3.967 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2ccccc2)cc1Cl ZINC000761518213 1037342475 /nfs/dbraw/zinc/34/24/75/1037342475.db2.gz ZODFMRBRSYJHDX-UHFFFAOYSA-N 1 0 304.777 3.971 20 5 DHBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1(C)C ZINC000761527360 1037347773 /nfs/dbraw/zinc/34/77/73/1037347773.db2.gz SXGBWAOVNKCCAX-HIFRSBDPSA-N 1 0 312.797 3.541 20 5 DHBDRO CCO[C@H](CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC001200910621 1037462413 /nfs/dbraw/zinc/46/24/13/1037462413.db2.gz HDJMBEVGSKJUJO-QGZVFWFLSA-N 1 0 308.422 3.752 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000775098002 1037591259 /nfs/dbraw/zinc/59/12/59/1037591259.db2.gz NOHUFIPNHYZLKM-UHFFFAOYSA-N 1 0 319.361 3.659 20 5 DHBDRO COc1cc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000490093170 1037613663 /nfs/dbraw/zinc/61/36/63/1037613663.db2.gz XMDHOOOMNOHTDF-SNPRPXQTSA-N 1 0 304.390 3.756 20 5 DHBDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000776174665 1037678652 /nfs/dbraw/zinc/67/86/52/1037678652.db2.gz RMLNYVCZKSQFRZ-LLVKDONJSA-N 1 0 320.776 3.675 20 5 DHBDRO C[C@H](CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000301147271 1037742123 /nfs/dbraw/zinc/74/21/23/1037742123.db2.gz HHAUZYNRPJDPSU-SECBINFHSA-N 1 0 317.311 3.508 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000491075833 1037897239 /nfs/dbraw/zinc/89/72/39/1037897239.db2.gz ILNJMYOMGTZHGM-ZDUSSCGKSA-N 1 0 318.323 3.863 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C/C=C/c1ccc(F)cc1 ZINC001202226651 1038115807 /nfs/dbraw/zinc/11/58/07/1038115807.db2.gz DWFQCQGCBIGMQP-ONEGZZNKSA-N 1 0 300.333 3.579 20 5 DHBDRO CCCC[NH+]1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000164475495 1038199466 /nfs/dbraw/zinc/19/94/66/1038199466.db2.gz PWBVJIIVMGEHGV-OAHLLOKOSA-N 1 0 319.449 3.818 20 5 DHBDRO CCCCC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000775315393 1038217264 /nfs/dbraw/zinc/21/72/64/1038217264.db2.gz DGUGDUFSZBALRS-MRXNPFEDSA-N 1 0 316.405 3.703 20 5 DHBDRO COC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCCC1 ZINC000775321349 1038222498 /nfs/dbraw/zinc/22/24/98/1038222498.db2.gz TWJDTJXPRMADGK-UHFFFAOYSA-N 1 0 312.797 3.687 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000588977872 1038414442 /nfs/dbraw/zinc/41/44/42/1038414442.db2.gz BKKNMMPKGNHAAP-OAHLLOKOSA-N 1 0 304.390 3.616 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nccc2ccccc21 ZINC000589184922 1038445734 /nfs/dbraw/zinc/44/57/34/1038445734.db2.gz AHDBEARMGJXHNS-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000589686029 1038532080 /nfs/dbraw/zinc/53/20/80/1038532080.db2.gz PWCWPNLAUSMCRP-UHFFFAOYSA-N 1 0 323.412 3.599 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC12CCCCC2 ZINC001192291616 1038622778 /nfs/dbraw/zinc/62/27/78/1038622778.db2.gz FKHTYLVEVJVGNK-UHFFFAOYSA-N 1 0 304.390 3.902 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590601796 1038675262 /nfs/dbraw/zinc/67/52/62/1038675262.db2.gz QMHUTOLJWFFCFN-LSDHHAIUSA-N 1 0 311.385 3.930 20 5 DHBDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nc1 ZINC000598990853 1038968824 /nfs/dbraw/zinc/96/88/24/1038968824.db2.gz JFOLGKIMFTZFCP-UHFFFAOYSA-N 1 0 317.364 3.505 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3CC=CC3)cs2)c1 ZINC000598992468 1038984706 /nfs/dbraw/zinc/98/47/06/1038984706.db2.gz OUDFZMJQHAOPNX-UHFFFAOYSA-N 1 0 315.398 3.774 20 5 DHBDRO CCC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599055978 1039015761 /nfs/dbraw/zinc/01/57/61/1039015761.db2.gz FVBOCOMDXHHTKP-RHSMWYFYSA-N 1 0 306.406 3.842 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CC[C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000599059445 1039016624 /nfs/dbraw/zinc/01/66/24/1039016624.db2.gz XIQAPQRHTRYLCV-GUYCJALGSA-N 1 0 318.417 3.724 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCCOC1)CCCC2 ZINC000599058081 1039017524 /nfs/dbraw/zinc/01/75/24/1039017524.db2.gz QQVVOQBVYJPOFU-KSSFIOAISA-N 1 0 318.417 3.769 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599065723 1039023733 /nfs/dbraw/zinc/02/37/33/1039023733.db2.gz PWZYYUYQJMSBEL-RDTXWAMCSA-N 1 0 317.433 3.652 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000599074721 1039030177 /nfs/dbraw/zinc/03/01/77/1039030177.db2.gz VULMAWYWUKUFDO-GOEBONIOSA-N 1 0 317.433 3.571 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000593687574 1039064077 /nfs/dbraw/zinc/06/40/77/1039064077.db2.gz ISSVGPRKHQIWGB-UHFFFAOYSA-N 1 0 312.316 3.619 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CC2(CCC2)C1)C1CC1 ZINC000593720427 1039107876 /nfs/dbraw/zinc/10/78/76/1039107876.db2.gz KXOMJTMRFDYSFH-INIZCTEOSA-N 1 0 300.402 3.838 20 5 DHBDRO CC(C)=CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130326 1039124098 /nfs/dbraw/zinc/12/40/98/1039124098.db2.gz BWXWVTNLBSGGJV-QAQDUYKDSA-N 1 0 318.417 3.667 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000592140178 1039133675 /nfs/dbraw/zinc/13/36/75/1039133675.db2.gz NNLOFPASFWHBQZ-HOCLYGCPSA-N 1 0 311.385 3.849 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183148 1039162282 /nfs/dbraw/zinc/16/22/82/1039162282.db2.gz RURKPMQXSBNOEL-UONOGXRCSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(F)F ZINC000592372840 1039169435 /nfs/dbraw/zinc/16/94/35/1039169435.db2.gz UUTPBDPLBHQICR-QMMMGPOBSA-N 1 0 324.274 3.577 20 5 DHBDRO CC(C)C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[NH+](C)C ZINC000603845941 1039182732 /nfs/dbraw/zinc/18/27/32/1039182732.db2.gz QEZPNFNJTDZYOV-CYBMUJFWSA-N 1 0 316.405 3.531 20 5 DHBDRO CC(C)C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])[NH+](C)C ZINC000603845942 1039183322 /nfs/dbraw/zinc/18/33/22/1039183322.db2.gz QEZPNFNJTDZYOV-ZDUSSCGKSA-N 1 0 316.405 3.531 20 5 DHBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592380655 1039184788 /nfs/dbraw/zinc/18/47/88/1039184788.db2.gz OJMNQEQMMALFDO-IAQYHMDHSA-N 1 0 318.398 3.838 20 5 DHBDRO CC(C)C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000592387693 1039187886 /nfs/dbraw/zinc/18/78/86/1039187886.db2.gz GNDLYNGZNWAJSZ-GOSISDBHSA-N 1 0 313.401 3.909 20 5 DHBDRO CC1CC[NH+](CCCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000603860816 1039195034 /nfs/dbraw/zinc/19/50/34/1039195034.db2.gz YOPGFSKLJRASDW-UHFFFAOYSA-N 1 0 309.385 3.658 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000604013226 1039282425 /nfs/dbraw/zinc/28/24/25/1039282425.db2.gz TXWXRJSSYAGGLA-KRWDZBQOSA-N 1 0 304.390 3.628 20 5 DHBDRO CSCCCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229517906 1039328562 /nfs/dbraw/zinc/32/85/62/1039328562.db2.gz UYLACRWVZYJEMM-UHFFFAOYSA-N 1 0 302.827 3.871 20 5 DHBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000230143976 1039722198 /nfs/dbraw/zinc/72/21/98/1039722198.db2.gz CXRCDNRNXTYDKA-PWSUYJOCSA-N 1 0 300.811 3.622 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000594514703 1039821970 /nfs/dbraw/zinc/82/19/70/1039821970.db2.gz ZQOAUGOZZGINPY-ZLIFDBKOSA-N 1 0 304.390 3.593 20 5 DHBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594519726 1039822599 /nfs/dbraw/zinc/82/25/99/1039822599.db2.gz UGDOTKYTBTUBAE-HUBLWGQQSA-N 1 0 304.390 3.518 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCCO1 ZINC000594520413 1039827696 /nfs/dbraw/zinc/82/76/96/1039827696.db2.gz PBLPNVXXTWBNSR-COXVUDFISA-N 1 0 306.406 3.902 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCCO1 ZINC000594520414 1039827960 /nfs/dbraw/zinc/82/79/60/1039827960.db2.gz PBLPNVXXTWBNSR-JQFCIGGWSA-N 1 0 306.406 3.902 20 5 DHBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594970696 1039949057 /nfs/dbraw/zinc/94/90/57/1039949057.db2.gz KMBKZXJVWDKGFQ-APPDUMDISA-N 1 0 300.333 3.552 20 5 DHBDRO COCc1csc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000594941333 1039956294 /nfs/dbraw/zinc/95/62/94/1039956294.db2.gz SEOFJZLJHROQKF-GFCCVEGCSA-N 1 0 320.414 3.962 20 5 DHBDRO CSCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000594964106 1039968499 /nfs/dbraw/zinc/96/84/99/1039968499.db2.gz VRXUVYQGZGKIOE-UHFFFAOYSA-N 1 0 314.838 3.871 20 5 DHBDRO CC[C@@H](C)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594965580 1039970643 /nfs/dbraw/zinc/97/06/43/1039970643.db2.gz ALYDNRUMYSCNFB-CYBMUJFWSA-N 1 0 316.405 3.521 20 5 DHBDRO CCSC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000594986895 1040004866 /nfs/dbraw/zinc/00/48/66/1040004866.db2.gz MFZFDXDUVBGYFX-LCYFTJDESA-N 1 0 306.431 3.873 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594041522 1040010878 /nfs/dbraw/zinc/01/08/78/1040010878.db2.gz DYQZKULXDAXBBR-ZFWWWQNUSA-N 1 0 312.797 3.686 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC000595003411 1040015218 /nfs/dbraw/zinc/01/52/18/1040015218.db2.gz FSWJGQKUUGCJPU-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000595056915 1040021856 /nfs/dbraw/zinc/02/18/56/1040021856.db2.gz SOERNYVMZFOIKQ-RDJZCZTQSA-N 1 0 306.406 3.841 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000595032582 1040038744 /nfs/dbraw/zinc/03/87/44/1040038744.db2.gz NLYHTVKKTNTOOM-DGCLKSJQSA-N 1 0 310.419 3.540 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000595034025 1040041264 /nfs/dbraw/zinc/04/12/64/1040041264.db2.gz ORKTWIGTNOKCSR-ABAIWWIYSA-N 1 0 322.405 3.600 20 5 DHBDRO CCC[C@@H]([NH2+]CCC1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000595048761 1040051874 /nfs/dbraw/zinc/05/18/74/1040051874.db2.gz MUAFKISKFYBRIT-QWFMPGPPSA-N 1 0 306.406 3.841 20 5 DHBDRO CC(C)(C)OCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595077277 1040069639 /nfs/dbraw/zinc/06/96/39/1040069639.db2.gz QKZREOUVDPEHOZ-INIZCTEOSA-N 1 0 306.406 3.767 20 5 DHBDRO C[C@]1(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(F)F ZINC000595082417 1040072943 /nfs/dbraw/zinc/07/29/43/1040072943.db2.gz ZTGNZAMOXTUGFV-HOCLYGCPSA-N 1 0 324.371 3.941 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595080171 1040073131 /nfs/dbraw/zinc/07/31/31/1040073131.db2.gz OEOOZQMETAFJHE-YGRLFVJLSA-N 1 0 314.332 3.689 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCOC(C)(C)C ZINC000595078048 1040073208 /nfs/dbraw/zinc/07/32/08/1040073208.db2.gz XEQOEQJMTKZEOJ-CQSZACIVSA-N 1 0 308.422 3.711 20 5 DHBDRO Cc1noc(C[N@H+]2C[C@H](c3ccccc3C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595323574 1040108224 /nfs/dbraw/zinc/10/82/24/1040108224.db2.gz ZKJKAIRKRVOLBB-TZMCWYRMSA-N 1 0 315.373 3.578 20 5 DHBDRO CCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000595367414 1040127934 /nfs/dbraw/zinc/12/79/34/1040127934.db2.gz QMSRWVKFZCUFGJ-OAHLLOKOSA-N 1 0 310.369 3.515 20 5 DHBDRO Cc1noc(C[N@@H+]2CC[C@H]([C@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000595558960 1040173976 /nfs/dbraw/zinc/17/39/76/1040173976.db2.gz RMDKHNONOLJFMC-QWHCGFSZSA-N 1 0 307.394 3.539 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000595701812 1040223335 /nfs/dbraw/zinc/22/33/35/1040223335.db2.gz FXONHDHRJKYXQU-QGZVFWFLSA-N 1 0 300.333 3.723 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CCF)C2)c(Cl)c1 ZINC000595755072 1040240985 /nfs/dbraw/zinc/24/09/85/1040240985.db2.gz FTUOESZJANZZHL-LLVKDONJSA-N 1 0 300.761 3.820 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(F)c1 ZINC000595786552 1040251753 /nfs/dbraw/zinc/25/17/53/1040251753.db2.gz BHMJGLKLXITJGW-WMLDXEAASA-N 1 0 322.380 3.515 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595784474 1040252614 /nfs/dbraw/zinc/25/26/14/1040252614.db2.gz ABQGKRVGNJACAH-RDTXWAMCSA-N 1 0 318.417 3.937 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(F)c1 ZINC000595786555 1040252669 /nfs/dbraw/zinc/25/26/69/1040252669.db2.gz BHMJGLKLXITJGW-YOEHRIQHSA-N 1 0 322.380 3.515 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2ccon2)CC1 ZINC000595829426 1040266571 /nfs/dbraw/zinc/26/65/71/1040266571.db2.gz UKOYWYISAXNZQE-CYBMUJFWSA-N 1 0 315.373 3.832 20 5 DHBDRO Cc1cc(N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000596179380 1040323125 /nfs/dbraw/zinc/32/31/25/1040323125.db2.gz VXQMPBQCNHNUOM-UHFFFAOYSA-N 1 0 311.451 3.523 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(C)C)C(C)C ZINC000063495970 1040328048 /nfs/dbraw/zinc/32/80/48/1040328048.db2.gz KEVTWPVUBKOHHB-UHFFFAOYSA-N 1 0 321.421 3.598 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1OCCC1CC[NH2+]CC1 ZINC000231642663 1040357889 /nfs/dbraw/zinc/35/78/89/1040357889.db2.gz CUZIDCKWWVHYOG-UHFFFAOYSA-N 1 0 319.188 3.670 20 5 DHBDRO O=[N+]([O-])c1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)c(Cl)c1 ZINC000608909470 1040641185 /nfs/dbraw/zinc/64/11/85/1040641185.db2.gz RUFDPEJYGBFZBT-UHFFFAOYSA-N 1 0 315.720 3.573 20 5 DHBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000064029089 1040642643 /nfs/dbraw/zinc/64/26/43/1040642643.db2.gz KRKUTHUIDCFYKT-UHFFFAOYSA-N 1 0 317.414 3.733 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000064114357 1040669640 /nfs/dbraw/zinc/66/96/40/1040669640.db2.gz ZGCXBAZDYDZABH-HNNXBMFYSA-N 1 0 321.352 3.822 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000597222726 1040704419 /nfs/dbraw/zinc/70/44/19/1040704419.db2.gz YMVKVIQDMQWHQH-VJHAZISPSA-N 1 0 300.402 3.694 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000534329077 1040803093 /nfs/dbraw/zinc/80/30/93/1040803093.db2.gz GUWMDXYUVWCDHI-ZDUSSCGKSA-N 1 0 318.373 3.788 20 5 DHBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CC=CCC2)cc1Br ZINC000602551993 1041094056 /nfs/dbraw/zinc/09/40/56/1041094056.db2.gz MFAPBGBZTYVORL-MRVPVSSYSA-N 1 0 317.208 3.617 20 5 DHBDRO CCC(CC)[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602588670 1041105177 /nfs/dbraw/zinc/10/51/77/1041105177.db2.gz ODGULEBFMSCTGU-SJLPKXTDSA-N 1 0 320.433 3.711 20 5 DHBDRO CCC(CC)[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000602588668 1041106049 /nfs/dbraw/zinc/10/60/49/1041106049.db2.gz ODGULEBFMSCTGU-AEFFLSMTSA-N 1 0 320.433 3.711 20 5 DHBDRO Cc1cc(N2CC[C@@]3(CC3(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593522859 1041145087 /nfs/dbraw/zinc/14/50/87/1041145087.db2.gz VEQXINKRQWDANY-OAHLLOKOSA-N 1 0 319.311 3.687 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000602711944 1041172930 /nfs/dbraw/zinc/17/29/30/1041172930.db2.gz SZIIUXQJPKVCQK-LLVKDONJSA-N 1 0 324.249 3.749 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3cccnc3)C2)c(F)c1 ZINC000602853647 1041263174 /nfs/dbraw/zinc/26/31/74/1041263174.db2.gz KBLRSIGUZVPBPN-AWEZNQCLSA-N 1 0 315.348 3.509 20 5 DHBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000602846144 1041276234 /nfs/dbraw/zinc/27/62/34/1041276234.db2.gz NDBMLJCRTVWMAO-LBPRGKRZSA-N 1 0 322.434 3.633 20 5 DHBDRO Cn1cc(C[NH2+]C(C)(C)c2ccc3ccccc3c2)c([N+](=O)[O-])n1 ZINC000602917609 1041314133 /nfs/dbraw/zinc/31/41/33/1041314133.db2.gz OWCCUOXVVHIPPX-UHFFFAOYSA-N 1 0 324.384 3.506 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090728484 185311647 /nfs/dbraw/zinc/31/16/47/185311647.db2.gz URXHDTAWWGVTFF-WDEREUQCSA-N 1 0 303.362 3.654 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCSc2ccccc21 ZINC000034996517 182746625 /nfs/dbraw/zinc/74/66/25/182746625.db2.gz FGDINAUNKZBULW-AWEZNQCLSA-N 1 0 300.383 3.922 20 5 DHBDRO CC(C)(C)c1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000059181033 184135095 /nfs/dbraw/zinc/13/50/95/184135095.db2.gz YVLLXENFPPXEHY-UHFFFAOYSA-N 1 0 305.403 3.639 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271433064 129912311 /nfs/dbraw/zinc/91/23/11/129912311.db2.gz DJMFZZGKLSAOLR-NOLJZWGESA-N 1 0 306.406 3.839 20 5 DHBDRO COCC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000272133419 130002488 /nfs/dbraw/zinc/00/24/88/130002488.db2.gz XFASPAFUEBHKTD-BBRMVZONSA-N 1 0 318.373 3.925 20 5 DHBDRO Cc1cc(C2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000272954725 130077818 /nfs/dbraw/zinc/07/78/18/130077818.db2.gz MXEALHPOWAOGCV-CYBMUJFWSA-N 1 0 314.389 3.567 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000273171504 130094368 /nfs/dbraw/zinc/09/43/68/130094368.db2.gz CDLYJLORZRKNRB-BZUAXINKSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccccc1[N+](=O)[O-] ZINC000274807442 130264170 /nfs/dbraw/zinc/26/41/70/130264170.db2.gz QEIXSVILLCPNHL-CYBMUJFWSA-N 1 0 314.385 3.673 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000286932235 131256879 /nfs/dbraw/zinc/25/68/79/131256879.db2.gz GGOZJYHSXFREMB-STQMWFEESA-N 1 0 324.446 3.787 20 5 DHBDRO Cc1cnn(CCCCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000296707652 131982652 /nfs/dbraw/zinc/98/26/52/131982652.db2.gz LOTHDSBVLJKLRG-HNNXBMFYSA-N 1 0 316.405 3.621 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000537987769 331485293 /nfs/dbraw/zinc/48/52/93/331485293.db2.gz RLFYLZFDQPLJQJ-INIZCTEOSA-N 1 0 320.433 3.853 20 5 DHBDRO CC(C)Oc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000077220994 331673810 /nfs/dbraw/zinc/67/38/10/331673810.db2.gz QKFAQTPWAVBJHL-UHFFFAOYSA-N 1 0 300.358 3.672 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCSC3)o2)cc1 ZINC000557833957 331820002 /nfs/dbraw/zinc/82/00/02/331820002.db2.gz WHONVRDJVVWJRU-CYBMUJFWSA-N 1 0 318.398 3.840 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(C)o1 ZINC000526047017 331904970 /nfs/dbraw/zinc/90/49/70/331904970.db2.gz SVBZZZYRYQLNBS-JLHYYAGUSA-N 1 0 300.358 3.732 20 5 DHBDRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963713 332331439 /nfs/dbraw/zinc/33/14/39/332331439.db2.gz HUIIXFKFMLOSCH-NSHDSACASA-N 1 0 308.765 3.952 20 5 DHBDRO CC(C)(C)c1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000170811507 332637286 /nfs/dbraw/zinc/63/72/86/332637286.db2.gz QKFPKYDPSQCYSG-UHFFFAOYSA-N 1 0 319.430 3.681 20 5 DHBDRO C[C@@H]([NH2+]CCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180941093 333028884 /nfs/dbraw/zinc/02/88/84/333028884.db2.gz LHKVUCAIZBDKNT-CQSZACIVSA-N 1 0 300.358 3.715 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000314085484 333086376 /nfs/dbraw/zinc/08/63/76/333086376.db2.gz WQMWQKNXSWMKFA-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000487189049 333116924 /nfs/dbraw/zinc/11/69/24/333116924.db2.gz PMIMTRVTOCEXPD-SKDRFNHKSA-N 1 0 302.296 3.892 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000388327767 333267584 /nfs/dbraw/zinc/26/75/84/333267584.db2.gz CQTATNDIIIUTJT-AFAVFJNCSA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1ccc(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000390603556 333305654 /nfs/dbraw/zinc/30/56/54/333305654.db2.gz GGPARFCSNRZUKO-KDOFPFPSSA-N 1 0 319.449 3.503 20 5 DHBDRO CC[C@@H](NCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000320737903 335134260 /nfs/dbraw/zinc/13/42/60/335134260.db2.gz YLCZINKXJZJFTB-GOSISDBHSA-N 1 0 319.449 3.758 20 5 DHBDRO CCCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000188793810 333361996 /nfs/dbraw/zinc/36/19/96/333361996.db2.gz LLJHSBYQFNGSIM-UHFFFAOYSA-N 1 0 314.385 3.982 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000122442831 333395644 /nfs/dbraw/zinc/39/56/44/333395644.db2.gz AXHHSUFHTWMOBJ-LBPRGKRZSA-N 1 0 315.329 3.662 20 5 DHBDRO CCC[C@H]([NH2+]CCc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000320194355 333451336 /nfs/dbraw/zinc/45/13/36/333451336.db2.gz GRVJNHJMPGQLDZ-SFHVURJKSA-N 1 0 314.385 3.974 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC(C1CC1)C1CC1)C1CC1 ZINC000531733086 333551232 /nfs/dbraw/zinc/55/12/32/333551232.db2.gz FBZRLKMZNGXLKH-SFHVURJKSA-N 1 0 314.429 3.942 20 5 DHBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563419810 333603190 /nfs/dbraw/zinc/60/31/90/333603190.db2.gz ZIECWGFHGNGDBG-BXKDBHETSA-N 1 0 302.296 3.903 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000411969821 333717302 /nfs/dbraw/zinc/71/73/02/333717302.db2.gz MFNKIVJVDZLOIJ-BMIGLBTASA-N 1 0 312.797 3.541 20 5 DHBDRO COCC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000272507136 334036105 /nfs/dbraw/zinc/03/61/05/334036105.db2.gz FNSGLRONQMBHCW-XJKSGUPXSA-N 1 0 318.373 3.925 20 5 DHBDRO CC[NH2+]Cc1cccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000414860593 334132866 /nfs/dbraw/zinc/13/28/66/334132866.db2.gz DHJPLBJNRFCXLJ-UHFFFAOYSA-N 1 0 319.792 3.970 20 5 DHBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414920219 334180404 /nfs/dbraw/zinc/18/04/04/334180404.db2.gz XEXICLFIAWOLNV-NCRRVARUSA-N 1 0 323.396 3.857 20 5 DHBDRO C[C@@H](c1cc(F)ccc1F)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535245688 334382084 /nfs/dbraw/zinc/38/20/84/334382084.db2.gz HFYLQRBJCVNRSK-NSHDSACASA-N 1 0 318.323 3.992 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)CCCC2 ZINC000417313326 334705303 /nfs/dbraw/zinc/70/53/03/334705303.db2.gz PBUWKHQXQCZGEJ-YEWWUXTCSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000344044152 335211810 /nfs/dbraw/zinc/21/18/10/335211810.db2.gz FCTBHHRVGYZYLR-OAHLLOKOSA-N 1 0 314.410 3.964 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000344066278 335214567 /nfs/dbraw/zinc/21/45/67/335214567.db2.gz PRBZZRWXOFEAEY-KRWDZBQOSA-N 1 0 314.385 3.887 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc3cc(F)ccc3o2)cc1 ZINC000344215612 335225874 /nfs/dbraw/zinc/22/58/74/335225874.db2.gz PSSPAGMEUDTANJ-UHFFFAOYSA-N 1 0 314.316 3.812 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000344793128 335277726 /nfs/dbraw/zinc/27/77/26/335277726.db2.gz VHLSTONRDVMRIR-MRXNPFEDSA-N 1 0 316.405 3.514 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1csc(C)n1 ZINC000344882588 335282524 /nfs/dbraw/zinc/28/25/24/335282524.db2.gz XJKHIVXIGYLTRD-XYOKQWHBSA-N 1 0 317.414 3.595 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(C)c1 ZINC000349203303 335641742 /nfs/dbraw/zinc/64/17/42/335641742.db2.gz SSYHWKFSULZILD-AWEZNQCLSA-N 1 0 319.430 3.594 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000192466090 336034950 /nfs/dbraw/zinc/03/49/50/336034950.db2.gz WRYZQVQFKPTPHW-NWDGAFQWSA-N 1 0 314.341 3.735 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000351971770 336184221 /nfs/dbraw/zinc/18/42/21/336184221.db2.gz WELYZFKSOQRYLX-DOTOQJQBSA-N 1 0 317.433 3.524 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc2ccccc2c1 ZINC000352570191 336225095 /nfs/dbraw/zinc/22/50/95/336225095.db2.gz DHHXBKXBARBLCU-UHFFFAOYSA-N 1 0 321.380 3.818 20 5 DHBDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3cccc([N+](=O)[O-])c3)c21 ZINC000103173066 336238214 /nfs/dbraw/zinc/23/82/14/336238214.db2.gz PIIFTONBBBOSQY-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)s2)cc1 ZINC000102419594 336287152 /nfs/dbraw/zinc/28/71/52/336287152.db2.gz FRRKKJBKVRPKLN-CQSZACIVSA-N 1 0 318.398 3.592 20 5 DHBDRO O=[N+]([O-])c1ccc(Sc2ncc3ccccn32)c2ncccc12 ZINC000301098716 336289947 /nfs/dbraw/zinc/28/99/47/336289947.db2.gz WYMWVCQRXIVCIP-UHFFFAOYSA-N 1 0 322.349 3.942 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccs1)[NH+](C)C ZINC000301442546 336307078 /nfs/dbraw/zinc/30/70/78/336307078.db2.gz NRYJXOWEQXCPFN-AWEZNQCLSA-N 1 0 305.403 3.680 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NCc2cn3cc(Cl)ccc3n2)c1 ZINC000301564460 336315294 /nfs/dbraw/zinc/31/52/94/336315294.db2.gz LPPTUPNQKYHALK-UHFFFAOYSA-N 1 0 316.748 3.816 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000301801050 336330978 /nfs/dbraw/zinc/33/09/78/336330978.db2.gz CFNPLKOKINYVMX-UHFFFAOYSA-N 1 0 313.401 3.967 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000302020523 336343556 /nfs/dbraw/zinc/34/35/56/336343556.db2.gz NQGUAAWUNZOUFO-ZIAGYGMSSA-N 1 0 323.462 3.747 20 5 DHBDRO CCn1ccc(CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)c1 ZINC000302728130 336366782 /nfs/dbraw/zinc/36/67/82/336366782.db2.gz QGPQPKCWVFMGGM-UHFFFAOYSA-N 1 0 324.384 3.909 20 5 DHBDRO C[N@@H+]1CC[C@H](Nc2cccc(F)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000302797411 336369492 /nfs/dbraw/zinc/36/94/92/336369492.db2.gz ANMPALCOCWECLY-HOTGVXAUSA-N 1 0 315.348 3.591 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000352966405 336379896 /nfs/dbraw/zinc/37/98/96/336379896.db2.gz KNQZSFBQTLPTKM-LSDHHAIUSA-N 1 0 306.406 3.982 20 5 DHBDRO CC[C@@H]([NH2+]CC(CC)(CC)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000354985934 336490267 /nfs/dbraw/zinc/49/02/67/336490267.db2.gz VDQJBUHANVIAPX-OAHLLOKOSA-N 1 0 322.405 3.615 20 5 DHBDRO CSc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000357837952 336600841 /nfs/dbraw/zinc/60/08/41/336600841.db2.gz DQPHFRLGHQLXJH-LLVKDONJSA-N 1 0 303.387 3.563 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000357989007 336605161 /nfs/dbraw/zinc/60/51/61/336605161.db2.gz GFTDWNOXGXCSLD-BZNIZROVSA-N 1 0 316.405 3.747 20 5 DHBDRO CC(C)(C)CC[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000359035570 336654606 /nfs/dbraw/zinc/65/46/06/336654606.db2.gz LQVMVJXLIVZXKY-YOEHRIQHSA-N 1 0 320.433 3.749 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](CC)C[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000361812529 336773993 /nfs/dbraw/zinc/77/39/93/336773993.db2.gz MLYLMKWFPOFQBO-KMFMINBZSA-N 1 0 308.422 3.823 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000362192586 336787638 /nfs/dbraw/zinc/78/76/38/336787638.db2.gz VJHLKHYCTCCRDU-OAHLLOKOSA-N 1 0 318.348 3.983 20 5 DHBDRO Cc1cccnc1C1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368262934 336841375 /nfs/dbraw/zinc/84/13/75/336841375.db2.gz OBZXOVHSJVHPMU-CQSZACIVSA-N 1 0 311.385 3.681 20 5 DHBDRO CC[C@H]([NH2+]C[C@@]1(C)CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000372095402 336921943 /nfs/dbraw/zinc/92/19/43/336921943.db2.gz ODHCIVOHDRPAKG-OKZBNKHCSA-N 1 0 318.417 3.841 20 5 DHBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000378630665 337077111 /nfs/dbraw/zinc/07/71/11/337077111.db2.gz GJHYTOFVJOOWIC-OAHLLOKOSA-N 1 0 306.406 3.719 20 5 DHBDRO CC(C)([NH2+]CCc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000429237608 337137317 /nfs/dbraw/zinc/13/73/17/337137317.db2.gz PDNIATRIPFBYMS-UHFFFAOYSA-N 1 0 302.349 3.801 20 5 DHBDRO COC1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000181078214 337179781 /nfs/dbraw/zinc/17/97/81/337179781.db2.gz JWQVACGBHZYUDC-UHFFFAOYSA-N 1 0 316.357 3.514 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000183817741 337194811 /nfs/dbraw/zinc/19/48/11/337194811.db2.gz HPETYKFEYGWBOZ-CFVMTHIKSA-N 1 0 324.808 3.541 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000582855874 337211139 /nfs/dbraw/zinc/21/11/39/337211139.db2.gz FQYDOOAGJNMVCZ-HNNXBMFYSA-N 1 0 316.332 3.520 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C2CCOCC2)CC1 ZINC000583003682 337227711 /nfs/dbraw/zinc/22/77/11/337227711.db2.gz XBSDKHPOTGPZHR-AWEZNQCLSA-N 1 0 318.417 3.794 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)cccc1[N+](=O)[O-] ZINC000185602397 337249664 /nfs/dbraw/zinc/24/96/64/337249664.db2.gz XDBXXHGKPMTHLL-BBRMVZONSA-N 1 0 312.369 3.558 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186432212 337256028 /nfs/dbraw/zinc/25/60/28/337256028.db2.gz ICYRHZYMNXKEEZ-IBGZPJMESA-N 1 0 324.380 3.535 20 5 DHBDRO Cc1nc([C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000189799750 337282145 /nfs/dbraw/zinc/28/21/45/337282145.db2.gz VEMSFLRLXAZEHV-HNNXBMFYSA-N 1 0 303.387 3.697 20 5 DHBDRO CC1CC[NH+](C2CCC(Nc3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000192507079 337306126 /nfs/dbraw/zinc/30/61/26/337306126.db2.gz XDCJDDNZDCUPEN-UHFFFAOYSA-N 1 0 324.450 3.506 20 5 DHBDRO [NH3+]C1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420156248 337495929 /nfs/dbraw/zinc/49/59/29/337495929.db2.gz FIJBBLCVGOUCPB-UHFFFAOYSA-N 1 0 304.177 3.583 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccncc1Cl ZINC000421829376 337647264 /nfs/dbraw/zinc/64/72/64/337647264.db2.gz HRKAGCCWEGBNMY-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000536845843 337743808 /nfs/dbraw/zinc/74/38/08/337743808.db2.gz MGDQXWVOVYXZSP-BJJXKVORSA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000036937107 337795455 /nfs/dbraw/zinc/79/54/55/337795455.db2.gz HMTHCGLKVRNFTB-GFCCVEGCSA-N 1 0 304.777 3.969 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(N(C)C)c1 ZINC000119879081 337867347 /nfs/dbraw/zinc/86/73/47/337867347.db2.gz DYKNAKRPSSPIJL-CQSZACIVSA-N 1 0 313.401 3.820 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000537024215 337870959 /nfs/dbraw/zinc/87/09/59/337870959.db2.gz BNGFWJXEVNPFFN-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO C[C@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCS1 ZINC000120400154 337874991 /nfs/dbraw/zinc/87/49/91/337874991.db2.gz JMIJFDHJUKXKPW-NVXWUHKLSA-N 1 0 320.458 3.791 20 5 DHBDRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000122101049 337908619 /nfs/dbraw/zinc/90/86/19/337908619.db2.gz GPGIMXYDCXPUDK-KGLIPLIRSA-N 1 0 308.422 3.709 20 5 DHBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000315563459 337990049 /nfs/dbraw/zinc/99/00/49/337990049.db2.gz KHSUOMVQVNHDNU-JTQLQIEISA-N 1 0 319.327 3.756 20 5 DHBDRO Cc1nc(C(C)C)oc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000428968221 338067046 /nfs/dbraw/zinc/06/70/46/338067046.db2.gz OHDAJJJUTIHQHE-UHFFFAOYSA-N 1 0 317.389 3.689 20 5 DHBDRO CSC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000429293574 338076701 /nfs/dbraw/zinc/07/67/01/338076701.db2.gz LVCWJCSWTFKJGY-NSHDSACASA-N 1 0 314.838 3.823 20 5 DHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000429673488 338087035 /nfs/dbraw/zinc/08/70/35/338087035.db2.gz RVWATJMGPYMXSD-HZPDHXFCSA-N 1 0 308.447 3.791 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000430193026 338100513 /nfs/dbraw/zinc/10/05/13/338100513.db2.gz CGXRCBYESRUNBZ-ZDUSSCGKSA-N 1 0 300.358 3.796 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000430202294 338101165 /nfs/dbraw/zinc/10/11/65/338101165.db2.gz MJGWZVLAVRMKPZ-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cs1 ZINC000431685680 338136303 /nfs/dbraw/zinc/13/63/03/338136303.db2.gz MGQIAWHLKOMLMW-GDBMZVCRSA-N 1 0 318.398 3.524 20 5 DHBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000433046844 338178275 /nfs/dbraw/zinc/17/82/75/338178275.db2.gz QPHPXSHNTALTBI-ZYHUDNBSSA-N 1 0 314.332 3.817 20 5 DHBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433117414 338182184 /nfs/dbraw/zinc/18/21/84/338182184.db2.gz NJJKLHIPCCZPBG-XZOAIXRZSA-N 1 0 320.433 3.704 20 5 DHBDRO CC(C)OCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433166628 338183762 /nfs/dbraw/zinc/18/37/62/338183762.db2.gz LAULPVSACSRQOG-MRXNPFEDSA-N 1 0 306.406 3.722 20 5 DHBDRO CC(C)(C)[C@@H](CCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433222806 338186452 /nfs/dbraw/zinc/18/64/52/338186452.db2.gz XJVFBNSKNRWSPR-HZPDHXFCSA-N 1 0 320.433 3.704 20 5 DHBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433227467 338186580 /nfs/dbraw/zinc/18/65/80/338186580.db2.gz LCCDPCPVQRRVFS-JCURWCKSSA-N 1 0 318.417 3.722 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000433235961 338187157 /nfs/dbraw/zinc/18/71/57/338187157.db2.gz PCURGGFSYMIFNN-DCGLDWPTSA-N 1 0 318.417 3.722 20 5 DHBDRO CC(C)(C)C[C@@H](CO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433298404 338190075 /nfs/dbraw/zinc/19/00/75/338190075.db2.gz OOQKXUVVWMICHO-BLLLJJGKSA-N 1 0 320.433 3.704 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000433304638 338190737 /nfs/dbraw/zinc/19/07/37/338190737.db2.gz NYFJCVLNZGNCNU-ULQDDVLXSA-N 1 0 318.417 3.864 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC(C)(C)CC1 ZINC000434670708 338222928 /nfs/dbraw/zinc/22/29/28/338222928.db2.gz RFNOBUYQJDRFDS-UHFFFAOYSA-N 1 0 324.446 3.711 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000435752450 338247995 /nfs/dbraw/zinc/24/79/95/338247995.db2.gz YBVREOVKBZNJLS-SAZUREKKSA-N 1 0 318.323 3.909 20 5 DHBDRO COCCC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000436416824 338271912 /nfs/dbraw/zinc/27/19/12/338271912.db2.gz YXTRDTMDFHORLD-UHFFFAOYSA-N 1 0 320.433 3.714 20 5 DHBDRO Cc1ccc2c(CC[NH2+]Cc3ccccc3[N+](=O)[O-])cn(C)c2c1 ZINC000436422468 338272208 /nfs/dbraw/zinc/27/22/08/338272208.db2.gz ZWVOVYLQKFRMFF-UHFFFAOYSA-N 1 0 323.396 3.727 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000438484193 338345713 /nfs/dbraw/zinc/34/57/13/338345713.db2.gz HMAWXJGDZOIGEZ-CYBMUJFWSA-N 1 0 304.312 3.970 20 5 DHBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000439127825 338361838 /nfs/dbraw/zinc/36/18/38/338361838.db2.gz LFZZKPRNANRYLU-SJKOYZFVSA-N 1 0 317.364 3.837 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000194415981 338526303 /nfs/dbraw/zinc/52/63/03/338526303.db2.gz IRSMXTLUSBVCDB-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO COC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000446932001 338541041 /nfs/dbraw/zinc/54/10/41/338541041.db2.gz GNDLBBYFRGCEAE-GOSISDBHSA-N 1 0 320.433 3.712 20 5 DHBDRO C[C@@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCS1 ZINC000447588014 338559830 /nfs/dbraw/zinc/55/98/30/338559830.db2.gz SHWIYOVJCYMJIG-CVEARBPZSA-N 1 0 306.431 3.848 20 5 DHBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449104508 338593930 /nfs/dbraw/zinc/59/39/30/338593930.db2.gz FZBNTBUPFGNACP-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccc(O)c1 ZINC000449131056 338595826 /nfs/dbraw/zinc/59/58/26/338595826.db2.gz JVPMVXQXDHQCPR-CHWSQXEVSA-N 1 0 300.358 3.582 20 5 DHBDRO CCOCCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449195987 338601437 /nfs/dbraw/zinc/60/14/37/338601437.db2.gz WCJSRLVULQFKKW-OAHLLOKOSA-N 1 0 320.433 3.712 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449197325 338601670 /nfs/dbraw/zinc/60/16/70/338601670.db2.gz YYGRZYVYGMJFHQ-NWDGAFQWSA-N 1 0 317.389 3.524 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000449252709 338607078 /nfs/dbraw/zinc/60/70/78/338607078.db2.gz ROGFLUGMFOWDPD-DJIMGWMZSA-N 1 0 320.433 3.709 20 5 DHBDRO COCC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000449309655 338611702 /nfs/dbraw/zinc/61/17/02/338611702.db2.gz DZFKUZWVXDLBRD-CJNGLKHVSA-N 1 0 308.422 3.567 20 5 DHBDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000449401312 338621100 /nfs/dbraw/zinc/62/11/00/338621100.db2.gz GOSFTPDEVVEEQQ-VBQJREDUSA-N 1 0 308.422 3.567 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H](C)O ZINC000449543969 338636157 /nfs/dbraw/zinc/63/61/57/338636157.db2.gz PLYBTIVEEDRAQS-XHDPSFHLSA-N 1 0 320.414 3.572 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCOC(C)(C)CC)cc1[N+](=O)[O-] ZINC000453405633 338839248 /nfs/dbraw/zinc/83/92/48/338839248.db2.gz JPDAHKHDFTZOAS-ZDUSSCGKSA-N 1 0 324.421 3.849 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)CC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000453596787 338849878 /nfs/dbraw/zinc/84/98/78/338849878.db2.gz HAHHGDJUMCVWCF-LLVKDONJSA-N 1 0 310.394 3.526 20 5 DHBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000453637456 338851698 /nfs/dbraw/zinc/85/16/98/338851698.db2.gz UXILCOAIBIVYLN-YVEFUNNKSA-N 1 0 320.389 3.520 20 5 DHBDRO Cc1cc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000195269288 338888506 /nfs/dbraw/zinc/88/85/06/338888506.db2.gz YKKALYBAEKORFJ-LBPRGKRZSA-N 1 0 304.346 3.534 20 5 DHBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000459644406 339039998 /nfs/dbraw/zinc/03/99/98/339039998.db2.gz PEUDDQPOAZTZFI-LBPRGKRZSA-N 1 0 305.403 3.552 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)o2)cc1 ZINC000459746934 339045832 /nfs/dbraw/zinc/04/58/32/339045832.db2.gz GHZDTSKGZFHDGT-ZFWWWQNUSA-N 1 0 316.382 3.545 20 5 DHBDRO Cc1cc(NCc2ccc([N+](=O)[O-])cc2C)ccc1C[NH+](C)C ZINC000459766775 339047215 /nfs/dbraw/zinc/04/72/15/339047215.db2.gz PTGRVOJYNDOXHY-UHFFFAOYSA-N 1 0 313.401 3.885 20 5 DHBDRO CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H](C)OC ZINC000462828277 339092641 /nfs/dbraw/zinc/09/26/41/339092641.db2.gz VVHYIFJMHWTQJW-ZDUSSCGKSA-N 1 0 318.373 3.712 20 5 DHBDRO CC[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](C)OC ZINC000462830061 339093033 /nfs/dbraw/zinc/09/30/33/339093033.db2.gz SRHWANWPCDYYKK-CYBMUJFWSA-N 1 0 318.373 3.712 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCC2CCOCC2)C2CC2)cc1 ZINC000463290169 339113628 /nfs/dbraw/zinc/11/36/28/339113628.db2.gz JQWMCERFBBGOHO-UHFFFAOYSA-N 1 0 318.417 3.766 20 5 DHBDRO CC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)C ZINC000463376242 339116071 /nfs/dbraw/zinc/11/60/71/339116071.db2.gz OXRXQMVPAUCWIC-UHFFFAOYSA-N 1 0 318.377 3.513 20 5 DHBDRO COc1cc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000463493451 339119609 /nfs/dbraw/zinc/11/96/09/339119609.db2.gz LJJWIVSKZOWCLO-DGCLKSJQSA-N 1 0 310.369 3.753 20 5 DHBDRO CO[C@@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000467386260 339236054 /nfs/dbraw/zinc/23/60/54/339236054.db2.gz UWHIITPQOGRUDO-SUMWQHHRSA-N 1 0 306.406 3.575 20 5 DHBDRO CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467867205 339248242 /nfs/dbraw/zinc/24/82/42/339248242.db2.gz KXEMBDQYWHGLSG-GOEBONIOSA-N 1 0 305.422 3.510 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000467997386 339250786 /nfs/dbraw/zinc/25/07/86/339250786.db2.gz AYJBWULMUIDYCN-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO COc1ccc(C)cc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000468002529 339250840 /nfs/dbraw/zinc/25/08/40/339250840.db2.gz GSKKCHNPRXSSRN-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(F)cc1 ZINC000468636055 339267711 /nfs/dbraw/zinc/26/77/11/339267711.db2.gz WONQNQFVNPJRIQ-LCYFTJDESA-N 1 0 300.333 3.927 20 5 DHBDRO COC[C@@H]1CCCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470209064 339314365 /nfs/dbraw/zinc/31/43/65/339314365.db2.gz XDWUXCRIXQEFPE-XBNGYDHASA-N 1 0 318.417 3.747 20 5 DHBDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000478845580 339523627 /nfs/dbraw/zinc/52/36/27/339523627.db2.gz OGUKNMZUFQBGFE-CMPLNLGQSA-N 1 0 314.332 3.865 20 5 DHBDRO COC1CCC(C)(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000479447040 339535500 /nfs/dbraw/zinc/53/55/00/339535500.db2.gz AAGBNXYDXYDJKE-IGEOTXOUSA-N 1 0 306.406 3.841 20 5 DHBDRO CCC(=O)c1ccc(NC[C@@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000479914555 339553266 /nfs/dbraw/zinc/55/32/66/339553266.db2.gz TZCCOMVEMHFEDZ-CQSZACIVSA-N 1 0 321.421 3.576 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cs1 ZINC000480466065 339573993 /nfs/dbraw/zinc/57/39/93/339573993.db2.gz YCNMDSGHCIVENX-CYBMUJFWSA-N 1 0 310.419 3.628 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000484138203 339681746 /nfs/dbraw/zinc/68/17/46/339681746.db2.gz OLWFVEIMMMAPDP-WMLDXEAASA-N 1 0 308.422 3.741 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000488447769 339783004 /nfs/dbraw/zinc/78/30/04/339783004.db2.gz KNVTYPOZVQTPME-HIFRSBDPSA-N 1 0 308.447 3.647 20 5 DHBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488538769 339786906 /nfs/dbraw/zinc/78/69/06/339786906.db2.gz DAYFYAQCVGPAGV-SMDDNHRTSA-N 1 0 314.838 3.868 20 5 DHBDRO CC[NH+](CC)CCSCc1c(Cl)cccc1[N+](=O)[O-] ZINC000488809644 339794050 /nfs/dbraw/zinc/79/40/50/339794050.db2.gz NYSPJJASLPGSBA-UHFFFAOYSA-N 1 0 302.827 3.823 20 5 DHBDRO COc1cc(C[NH2+]C2(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000489989574 339823000 /nfs/dbraw/zinc/82/30/00/339823000.db2.gz ONQWBSPJHXOOOG-UHFFFAOYSA-N 1 0 316.332 3.521 20 5 DHBDRO CC[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500101507 340050323 /nfs/dbraw/zinc/05/03/23/340050323.db2.gz YMVHQTNHWDUPIE-AWEZNQCLSA-N 1 0 319.405 3.578 20 5 DHBDRO CCOCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000500785383 340067231 /nfs/dbraw/zinc/06/72/31/340067231.db2.gz PHEQHIJPCVRZRE-UHFFFAOYSA-N 1 0 320.414 3.792 20 5 DHBDRO COc1ccc(-c2ccc(C[N@H+](C)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000505859275 340179837 /nfs/dbraw/zinc/17/98/37/340179837.db2.gz SRBBIPMSBPOHDK-UHFFFAOYSA-N 1 0 304.346 3.704 20 5 DHBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc2c[nH]nc21 ZINC000507176962 340211279 /nfs/dbraw/zinc/21/12/79/340211279.db2.gz ZPPPWFIZOFJRJN-UHFFFAOYSA-N 1 0 324.384 3.882 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000507245597 340215452 /nfs/dbraw/zinc/21/54/52/340215452.db2.gz BTXPDAROWZIVNC-RYUDHWBXSA-N 1 0 310.357 3.883 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1CNc1[nH+]ccn1Cc1ccccc1 ZINC000508472851 340244404 /nfs/dbraw/zinc/24/44/04/340244404.db2.gz KLNXICLAGDZMJD-UHFFFAOYSA-N 1 0 322.368 3.760 20 5 DHBDRO Cc1[nH+]ccc(N(C)CCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000509465526 340270476 /nfs/dbraw/zinc/27/04/76/340270476.db2.gz RCSCVPPEYPKZPV-UHFFFAOYSA-N 1 0 305.765 3.631 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1=CCCCC1 ZINC000303095273 340301967 /nfs/dbraw/zinc/30/19/67/340301967.db2.gz FLJLWLSPAINADH-UHFFFAOYSA-N 1 0 304.390 3.974 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCCF)cc1[N+](=O)[O-] ZINC000510700410 340307236 /nfs/dbraw/zinc/30/72/36/340307236.db2.gz JGHFZEVNGMMSQJ-UONOGXRCSA-N 1 0 310.369 3.611 20 5 DHBDRO C[N@H+](CCCc1cccc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC000511138761 340321962 /nfs/dbraw/zinc/32/19/62/340321962.db2.gz GGIKCEBKMYJNMR-UHFFFAOYSA-N 1 0 316.376 3.841 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000511353429 340325609 /nfs/dbraw/zinc/32/56/09/340325609.db2.gz ZDNPYYIHJXWKBP-GJZGRUSLSA-N 1 0 317.433 3.968 20 5 DHBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000511724287 340336336 /nfs/dbraw/zinc/33/63/36/340336336.db2.gz VDOYGVMHOUQJNL-UPJWGTAASA-N 1 0 309.385 3.512 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000512235270 340353394 /nfs/dbraw/zinc/35/33/94/340353394.db2.gz WLNVPHAJHGOBNE-UKRRQHHQSA-N 1 0 306.406 3.909 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C2(CCO)CCCC2)cc1[N+](=O)[O-] ZINC000512491098 340363967 /nfs/dbraw/zinc/36/39/67/340363967.db2.gz CNQJPAITBGWEDJ-UHFFFAOYSA-N 1 0 306.406 3.503 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000173450446 340365224 /nfs/dbraw/zinc/36/52/24/340365224.db2.gz HSSPVAWEROAGMM-STQMWFEESA-N 1 0 318.348 3.852 20 5 DHBDRO COCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000185224822 340498969 /nfs/dbraw/zinc/49/89/69/340498969.db2.gz PZHYSNYPGOJSCK-UHFFFAOYSA-N 1 0 306.406 3.671 20 5 DHBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186832552 340516272 /nfs/dbraw/zinc/51/62/72/340516272.db2.gz OKWGBXASYPIDSM-XKQJLSEDSA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOc1cccc(F)c1 ZINC000537990859 340806129 /nfs/dbraw/zinc/80/61/29/340806129.db2.gz KFVMTUVTNKXSQW-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO Cc1ccccc1OCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539089759 340872423 /nfs/dbraw/zinc/87/24/23/340872423.db2.gz GQNMSWFYHUKDKI-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO C[C@@H]1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000543094211 341031742 /nfs/dbraw/zinc/03/17/42/341031742.db2.gz AFBIMDXGTUBIJN-ZOCIIQOWSA-N 1 0 310.397 3.919 20 5 DHBDRO CCc1ccc([C@@H]([NH2+]CC2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543409142 341042718 /nfs/dbraw/zinc/04/27/18/341042718.db2.gz IECNPYDAVJUIBQ-KRWDZBQOSA-N 1 0 300.358 3.839 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1ccc2ccccc2n1 ZINC000543628983 341051978 /nfs/dbraw/zinc/05/19/78/341051978.db2.gz ASLGDLYTUHJZNB-UHFFFAOYSA-N 1 0 321.380 3.784 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000544180291 341073214 /nfs/dbraw/zinc/07/32/14/341073214.db2.gz FGCDVKUSJCAKQG-ROUUACIJSA-N 1 0 318.417 3.765 20 5 DHBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000544370803 341078630 /nfs/dbraw/zinc/07/86/30/341078630.db2.gz MOVWIRCCLQSWGZ-DOMZBBRYSA-N 1 0 312.797 3.541 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCCS1)C1CC1 ZINC000544384608 341079529 /nfs/dbraw/zinc/07/95/29/341079529.db2.gz YQBHEYGBRYUULJ-HOTGVXAUSA-N 1 0 320.458 3.791 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000544440536 341082222 /nfs/dbraw/zinc/08/22/22/341082222.db2.gz SNSRTRIXSNYNIN-JQFCIGGWSA-N 1 0 320.433 3.693 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1cccs1 ZINC000544468438 341083479 /nfs/dbraw/zinc/08/34/79/341083479.db2.gz KGBGQJHCEAEYNC-UHFFFAOYSA-N 1 0 306.387 3.690 20 5 DHBDRO COc1ccccc1CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000544607887 341088717 /nfs/dbraw/zinc/08/87/17/341088717.db2.gz LKZVRKHMOZBMEB-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO COc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000132263397 341119674 /nfs/dbraw/zinc/11/96/74/341119674.db2.gz GAAHCOYDWFRWHF-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO Cc1c([C@@H](C)NCC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000545519269 341128219 /nfs/dbraw/zinc/12/82/19/341128219.db2.gz YKSVAYZQPQSJKI-OAHLLOKOSA-N 1 0 319.449 3.676 20 5 DHBDRO CSCCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000133593358 341179338 /nfs/dbraw/zinc/17/93/38/341179338.db2.gz WRSQMEVHYOFRSN-OAHLLOKOSA-N 1 0 308.447 3.649 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000075612030 341179569 /nfs/dbraw/zinc/17/95/69/341179569.db2.gz FPORMVFKBLRHQJ-CQSZACIVSA-N 1 0 313.401 3.854 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000135171032 341232763 /nfs/dbraw/zinc/23/27/63/341232763.db2.gz PDGNGGRZUJBHCQ-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000135175797 341232903 /nfs/dbraw/zinc/23/29/03/341232903.db2.gz VXDSNKWFIIPHOE-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO CSc1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548935414 341281498 /nfs/dbraw/zinc/28/14/98/341281498.db2.gz KSYWSHXZONXOEF-UHFFFAOYSA-N 1 0 316.426 3.991 20 5 DHBDRO Cc1ccc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000548990742 341283039 /nfs/dbraw/zinc/28/30/39/341283039.db2.gz IHLAFVCIIPHYSF-ZIAGYGMSSA-N 1 0 306.406 3.587 20 5 DHBDRO COc1ccc(C[NH2+][C@H](CCC(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000549165552 341287720 /nfs/dbraw/zinc/28/77/20/341287720.db2.gz HIVWYMKIHHWCDV-OAHLLOKOSA-N 1 0 306.406 3.908 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CCCC1(C)C ZINC000550255174 341313498 /nfs/dbraw/zinc/31/34/98/341313498.db2.gz JGQCBAKNEWZIJH-PMXLPMHFSA-N 1 0 318.417 3.529 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCCC23CCCC3)cc1[N+](=O)[O-] ZINC000551015644 341329263 /nfs/dbraw/zinc/32/92/63/341329263.db2.gz YCCLBAKTWCUJMR-INIZCTEOSA-N 1 0 304.390 3.806 20 5 DHBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000248554792 341379711 /nfs/dbraw/zinc/37/97/11/341379711.db2.gz KDRJZVSMHXDODO-COXVUDFISA-N 1 0 306.406 3.839 20 5 DHBDRO CCC[NH+](CCC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089885876 341410461 /nfs/dbraw/zinc/41/04/61/341410461.db2.gz MZGPIMGTUXIVPK-UHFFFAOYSA-N 1 0 303.362 3.872 20 5 DHBDRO COCc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000555420134 341482346 /nfs/dbraw/zinc/48/23/46/341482346.db2.gz BVUIICSCVZCZSA-CQSZACIVSA-N 1 0 314.385 3.900 20 5 DHBDRO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000305771341 341532610 /nfs/dbraw/zinc/53/26/10/341532610.db2.gz QPMYPYAMSPFYDS-JLJPHGGASA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000566938790 341572210 /nfs/dbraw/zinc/57/22/10/341572210.db2.gz WEMDLRHYTUMWSZ-KBPBESRZSA-N 1 0 312.369 3.730 20 5 DHBDRO CCC[C@H]([NH2+]CCC1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000336864522 341808930 /nfs/dbraw/zinc/80/89/30/341808930.db2.gz GSSNAVJLQZZQBM-INIZCTEOSA-N 1 0 306.406 3.985 20 5 DHBDRO CCOCC(C)(C)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000577243088 341899785 /nfs/dbraw/zinc/89/97/85/341899785.db2.gz DSOMTJXAFFQKLK-CQSZACIVSA-N 1 0 308.422 3.568 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)CCCC2 ZINC000417355128 518202943 /nfs/dbraw/zinc/20/29/43/518202943.db2.gz FJVLISBYDCNOBR-DDUZABMNSA-N 1 0 318.417 3.503 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000188038085 521172212 /nfs/dbraw/zinc/17/22/12/521172212.db2.gz GPKFPLIIZILPFT-XOKHGSTOSA-N 1 0 306.406 3.577 20 5 DHBDRO CC[C@H]([NH2+]CCCOCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000151830464 522582651 /nfs/dbraw/zinc/58/26/51/522582651.db2.gz QDNOHDLQMGJLJZ-ZDUSSCGKSA-N 1 0 320.311 3.605 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157700038 522719532 /nfs/dbraw/zinc/71/95/32/522719532.db2.gz HQLLBSPYUQFWRN-PVAVHDDUSA-N 1 0 304.390 3.593 20 5 DHBDRO COCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237186142 523175678 /nfs/dbraw/zinc/17/56/78/523175678.db2.gz OJFBNKCLGWMIIR-UHFFFAOYSA-N 1 0 320.414 3.840 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000353101567 524604914 /nfs/dbraw/zinc/60/49/14/524604914.db2.gz NXBQZGILWAKUFM-GFCCVEGCSA-N 1 0 310.357 3.630 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000157596757 525515834 /nfs/dbraw/zinc/51/58/34/525515834.db2.gz NJDOIPQYTAVFBG-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC000181823580 525734723 /nfs/dbraw/zinc/73/47/23/525734723.db2.gz SPCWOFOBGAHXRB-LLVKDONJSA-N 1 0 305.765 3.802 20 5 DHBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000130673407 525976120 /nfs/dbraw/zinc/97/61/20/525976120.db2.gz LMXFWERZTFVSMV-KBXCAEBGSA-N 1 0 314.385 3.596 20 5 DHBDRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000271569223 535266650 /nfs/dbraw/zinc/26/66/50/535266650.db2.gz PKCQJNHSAGAGPQ-QGPMSJSTSA-N 1 0 320.433 3.709 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336868336 1013052172 /nfs/dbraw/zinc/05/21/72/1013052172.db2.gz WLKLSHXVYOMDOP-IAGOWNOFSA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000340106998 1013303376 /nfs/dbraw/zinc/30/33/76/1013303376.db2.gz WKTJWPHCTHSPKD-WLPBJKJWSA-N 1 0 309.369 3.744 20 5 DHBDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000155347586 1013376758 /nfs/dbraw/zinc/37/67/58/1013376758.db2.gz LPLSIVAJCDTIAO-AWEZNQCLSA-N 1 0 308.422 3.743 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(C)c1 ZINC000349203305 1013481760 /nfs/dbraw/zinc/48/17/60/1013481760.db2.gz SSYHWKFSULZILD-CQSZACIVSA-N 1 0 319.430 3.594 20 5 DHBDRO CCc1cc(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000519784591 1013605890 /nfs/dbraw/zinc/60/58/90/1013605890.db2.gz DDPUEOKNIPHGFY-CYBMUJFWSA-N 1 0 317.389 3.737 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000475271329 1017111056 /nfs/dbraw/zinc/11/10/56/1017111056.db2.gz CLUHHHASYFDDPY-MFKMUULPSA-N 1 0 302.296 3.676 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000441462427 1013909660 /nfs/dbraw/zinc/90/96/60/1013909660.db2.gz IAWUHPUHBMWIPP-WWGRRREGSA-N 1 0 304.390 3.756 20 5 DHBDRO CC(=O)NCCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000044862476 1014005655 /nfs/dbraw/zinc/00/56/55/1014005655.db2.gz SXMNVOCLFGEIPM-UHFFFAOYSA-N 1 0 306.409 3.609 20 5 DHBDRO Cc1ccc([C@@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000319920789 1014277636 /nfs/dbraw/zinc/27/76/36/1014277636.db2.gz BQSAQRMLLZGHBV-JKSUJKDBSA-N 1 0 319.449 3.818 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CO1 ZINC000581131003 1014579852 /nfs/dbraw/zinc/57/98/52/1014579852.db2.gz COUAZKBKSICJPX-VXGBXAGGSA-N 1 0 318.398 3.590 20 5 DHBDRO CC(C)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000521196581 1014664518 /nfs/dbraw/zinc/66/45/18/1014664518.db2.gz NRAYGCXGTMAPIG-UHFFFAOYSA-N 1 0 306.406 3.874 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000581303420 1014693847 /nfs/dbraw/zinc/69/38/47/1014693847.db2.gz YTUNMTNTHJCANG-FCNCIGQRSA-N 1 0 320.392 3.926 20 5 DHBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581622 1014859372 /nfs/dbraw/zinc/85/93/72/1014859372.db2.gz DBBLQQJYWZTZSH-AWEZNQCLSA-N 1 0 303.362 3.747 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccsc1)C1CC1 ZINC000178023916 1014902445 /nfs/dbraw/zinc/90/24/45/1014902445.db2.gz IBYQIBQOPKACFE-OAHLLOKOSA-N 1 0 302.399 3.767 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121407729 1015031579 /nfs/dbraw/zinc/03/15/79/1015031579.db2.gz WYXAAPKRSGRUGG-LXZKKBNFSA-N 1 0 306.406 3.577 20 5 DHBDRO COc1cccc(Cl)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000317618900 1015073641 /nfs/dbraw/zinc/07/36/41/1015073641.db2.gz MTWKYIBSQNCDQV-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3sccc32)c1 ZINC000090909856 1015299844 /nfs/dbraw/zinc/29/98/44/1015299844.db2.gz XDNMJDPFSDFALZ-HNNXBMFYSA-N 1 0 302.399 3.866 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2sccc2C)cc1[N+](=O)[O-] ZINC000051233390 1015344977 /nfs/dbraw/zinc/34/49/77/1015344977.db2.gz JRANZRONDGTVRZ-UHFFFAOYSA-N 1 0 306.387 3.605 20 5 DHBDRO COC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000187439883 1015399658 /nfs/dbraw/zinc/39/96/58/1015399658.db2.gz YMIKTXFLSIRLBK-VQHVLOKHSA-N 1 0 304.390 3.547 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1[N+](=O)[O-] ZINC000237362633 1015472079 /nfs/dbraw/zinc/47/20/79/1015472079.db2.gz GVQXOTDOPZBDDF-ZDUSSCGKSA-N 1 0 318.398 3.832 20 5 DHBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000341701841 1015682750 /nfs/dbraw/zinc/68/27/50/1015682750.db2.gz JSXQSLKNYLEGKN-OAHLLOKOSA-N 1 0 316.405 3.514 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000611151053 1015682865 /nfs/dbraw/zinc/68/28/65/1015682865.db2.gz LRDIPSQIYNOAMV-QGZVFWFLSA-N 1 0 318.323 3.693 20 5 DHBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000610717402 1015740751 /nfs/dbraw/zinc/74/07/51/1015740751.db2.gz FTDNCJXIMZHYHF-KMDWOBIYSA-N 1 0 318.417 3.793 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCSC(F)(F)F ZINC000178420326 1015760476 /nfs/dbraw/zinc/76/04/76/1015760476.db2.gz ICVDQTNTXZFLKA-SNVBAGLBSA-N 1 0 322.352 3.759 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2COc3c2cccc3Cl)cc1 ZINC000610811056 1015853045 /nfs/dbraw/zinc/85/30/45/1015853045.db2.gz CKIUTJHKQNLMDS-HNNXBMFYSA-N 1 0 318.760 3.514 20 5 DHBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065209209 1015971102 /nfs/dbraw/zinc/97/11/02/1015971102.db2.gz YCWFKJWQTSACPW-UHFFFAOYSA-N 1 0 314.385 3.884 20 5 DHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000065208687 1015971872 /nfs/dbraw/zinc/97/18/72/1015971872.db2.gz LAIQSXKGUJWUJR-UHFFFAOYSA-N 1 0 320.776 3.759 20 5 DHBDRO CC(C)=CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167498998 1016069134 /nfs/dbraw/zinc/06/91/34/1016069134.db2.gz ACZHBWHBMWSORQ-UHFFFAOYSA-N 1 0 304.390 3.794 20 5 DHBDRO CC/C=C/CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000342240234 1016173285 /nfs/dbraw/zinc/17/32/85/1016173285.db2.gz XHDSWMYMBFKFEG-ONEGZZNKSA-N 1 0 304.390 3.794 20 5 DHBDRO Cc1nc(C)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000119846160 1016377841 /nfs/dbraw/zinc/37/78/41/1016377841.db2.gz GROVKVBQIGXWPI-JTQLQIEISA-N 1 0 305.403 3.827 20 5 DHBDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000072555485 1016556004 /nfs/dbraw/zinc/55/60/04/1016556004.db2.gz SMWPJVPAWCDUHX-CYBMUJFWSA-N 1 0 300.358 3.796 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346844911 1016601455 /nfs/dbraw/zinc/60/14/55/1016601455.db2.gz YVNKIFUYOPBIRA-XKQJLSEDSA-N 1 0 305.422 3.508 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)c(Cl)c1 ZINC000281844845 1016757155 /nfs/dbraw/zinc/75/71/55/1016757155.db2.gz AVYKUXCLPVIYGM-OAHLLOKOSA-N 1 0 324.808 3.687 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000323600807 1016905336 /nfs/dbraw/zinc/90/53/36/1016905336.db2.gz HORQDRNNRLWTHM-VKJFTORMSA-N 1 0 320.433 3.824 20 5 DHBDRO COc1ccc(C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000479570611 1016999735 /nfs/dbraw/zinc/99/97/35/1016999735.db2.gz PZJFEDSBLDAXDD-HIFRSBDPSA-N 1 0 304.390 3.685 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1Cl ZINC000897081411 1017036173 /nfs/dbraw/zinc/03/61/73/1017036173.db2.gz BHAFOLAQUDEOBB-CZUORRHYSA-N 1 0 324.808 3.543 20 5 DHBDRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000475226873 1017088397 /nfs/dbraw/zinc/08/83/97/1017088397.db2.gz ADEWBGBJBFHDIN-STQMWFEESA-N 1 0 316.405 3.776 20 5 DHBDRO CC[C@H]([NH2+]CCc1cnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000773077288 1032549223 /nfs/dbraw/zinc/54/92/23/1032549223.db2.gz QEIFNHYRQSEJCE-HNNXBMFYSA-N 1 0 305.403 3.643 20 5 DHBDRO CC1(C)SC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000558792062 1012172214 /nfs/dbraw/zinc/17/22/14/1012172214.db2.gz YKDGXEXADLAJBQ-OAHLLOKOSA-N 1 0 318.398 3.838 20 5 DHBDRO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000513823551 1012204671 /nfs/dbraw/zinc/20/46/71/1012204671.db2.gz WMEBYKSLVQBCBL-QGPMSJSTSA-N 1 0 320.433 3.567 20 5 DHBDRO C[C@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCOC1 ZINC000120205736 1012219554 /nfs/dbraw/zinc/21/95/54/1012219554.db2.gz HJADMBSGQZNLSH-INIZCTEOSA-N 1 0 318.398 3.592 20 5 DHBDRO Cc1c(C[NH2+]CCCCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000515155129 1012570501 /nfs/dbraw/zinc/57/05/01/1012570501.db2.gz DMTIEDGQUHJGFE-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO Cc1nc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 ZINC000154396543 1012702120 /nfs/dbraw/zinc/70/21/20/1012702120.db2.gz ZTGNUZQVZISDPN-UHFFFAOYSA-N 1 0 317.414 3.567 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H](CCO)CC(C)C)cccc1[N+](=O)[O-] ZINC000154651134 1012891612 /nfs/dbraw/zinc/89/16/12/1012891612.db2.gz KNJYVIXQEFNXHE-LSDHHAIUSA-N 1 0 308.422 3.599 20 5 DHBDRO CC[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000134795032 1012982842 /nfs/dbraw/zinc/98/28/42/1012982842.db2.gz NNFAIGJFRIGYQR-QAETUUGQSA-N 1 0 316.401 3.593 20 5 DHBDRO CC[N@H+](CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000336862664 1013010168 /nfs/dbraw/zinc/01/01/68/1013010168.db2.gz KWPZCWHENSAYCI-UHFFFAOYSA-N 1 0 317.311 3.510 20 5 DHBDRO Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000475287031 1017118473 /nfs/dbraw/zinc/11/84/73/1017118473.db2.gz MMVJRIWNPFXZTI-ZYHUDNBSSA-N 1 0 302.296 3.676 20 5 DHBDRO CO[C@]1(C)CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000475552648 1017422351 /nfs/dbraw/zinc/42/23/51/1017422351.db2.gz XHQJYDKRYCCSMV-NKAIQICCSA-N 1 0 318.417 3.889 20 5 DHBDRO COc1ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000282011945 1017495354 /nfs/dbraw/zinc/49/53/54/1017495354.db2.gz MVBPWZHINDVDOY-GFCCVEGCSA-N 1 0 314.332 3.519 20 5 DHBDRO Cc1cc(NCc2ccc(Cl)o2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611918436 1017562655 /nfs/dbraw/zinc/56/26/55/1017562655.db2.gz MNYCYEMCGHEKDD-UHFFFAOYSA-N 1 0 317.732 3.732 20 5 DHBDRO CC(C)CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000083168274 1017596826 /nfs/dbraw/zinc/59/68/26/1017596826.db2.gz ZPNXEZQNBAVABI-UHFFFAOYSA-N 1 0 303.362 3.747 20 5 DHBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444665337 1017619143 /nfs/dbraw/zinc/61/91/43/1017619143.db2.gz UBEAGSRWLFGDBC-ZDUSSCGKSA-N 1 0 316.405 3.872 20 5 DHBDRO Cc1c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000444692707 1017635159 /nfs/dbraw/zinc/63/51/59/1017635159.db2.gz MSCRSEVTDKQINF-LLVKDONJSA-N 1 0 302.296 3.678 20 5 DHBDRO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000523448665 1017702049 /nfs/dbraw/zinc/70/20/49/1017702049.db2.gz DOOJJYSLICMPGE-CYBMUJFWSA-N 1 0 314.360 3.896 20 5 DHBDRO CCC[C@H]([NH2+]Cc1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000171140777 1017872089 /nfs/dbraw/zinc/87/20/89/1017872089.db2.gz XAKGYJOSTYJPMI-INIZCTEOSA-N 1 0 315.373 3.629 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC000172619762 1018071913 /nfs/dbraw/zinc/07/19/13/1018071913.db2.gz RCZBXSUBYLJHKS-MRXNPFEDSA-N 1 0 318.348 3.983 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000040675894 1018228686 /nfs/dbraw/zinc/22/86/86/1018228686.db2.gz PVOGYPKNBMCKGQ-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO Cc1nc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000040675945 1018232680 /nfs/dbraw/zinc/23/26/80/1018232680.db2.gz ZAPRQZOSTTXLSL-SNVBAGLBSA-N 1 0 305.403 3.561 20 5 DHBDRO Cc1ccccc1C[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446829762 1018261665 /nfs/dbraw/zinc/26/16/65/1018261665.db2.gz LFOIZBFOHQTAKL-CYBMUJFWSA-N 1 0 324.384 3.500 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000446889171 1018288559 /nfs/dbraw/zinc/28/85/59/1018288559.db2.gz SRTJVVOZWQAUGP-XHSDSOJGSA-N 1 0 317.433 3.745 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000447532799 1018410086 /nfs/dbraw/zinc/41/00/86/1018410086.db2.gz VQESQLQOGBIBIS-MSOLQXFVSA-N 1 0 318.417 3.767 20 5 DHBDRO CCCC(O)(CCC)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447537158 1018412407 /nfs/dbraw/zinc/41/24/07/1018412407.db2.gz SVUULZBEPPGFQP-QGZVFWFLSA-N 1 0 320.433 3.893 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000447592497 1018432140 /nfs/dbraw/zinc/43/21/40/1018432140.db2.gz LWLNJYBTIWDXJY-JCURWCKSSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCCO1 ZINC000447592499 1018432565 /nfs/dbraw/zinc/43/25/65/1018432565.db2.gz LWLNJYBTIWDXJY-ZLIFDBKOSA-N 1 0 304.390 3.519 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000447594229 1018434818 /nfs/dbraw/zinc/43/48/18/1018434818.db2.gz XSDZKJNXXNWXAT-ZWKOTPCHSA-N 1 0 317.433 3.652 20 5 DHBDRO Cc1cc(Br)cc(C)c1O[C@H](C)C[N+](C)(C)C ZINC001228157624 1018468624 /nfs/dbraw/zinc/46/86/24/1018468624.db2.gz IKESNPQQZFYVJL-GFCCVEGCSA-N 1 0 301.248 3.539 20 5 DHBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000246502892 1018478047 /nfs/dbraw/zinc/47/80/47/1018478047.db2.gz OIUCBXIDVZYVIM-LRDDRELGSA-N 1 0 318.398 3.618 20 5 DHBDRO COCC1(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000340444981 1018613655 /nfs/dbraw/zinc/61/36/55/1018613655.db2.gz SKUUZUZLAUJIEV-QGZVFWFLSA-N 1 0 318.417 3.769 20 5 DHBDRO CCOC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000340464801 1018671724 /nfs/dbraw/zinc/67/17/24/1018671724.db2.gz KTMWRGHXZCHDHV-QGZVFWFLSA-N 1 0 318.417 3.911 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000922897141 1018882447 /nfs/dbraw/zinc/88/24/47/1018882447.db2.gz LNNSEAWFQHVOPR-BLLLJJGKSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]2CCCC[C@@H]21 ZINC000611802415 1018893089 /nfs/dbraw/zinc/89/30/89/1018893089.db2.gz NUHXKDYYIGJCKE-UXIGCNINSA-N 1 0 315.373 3.747 20 5 DHBDRO O[C@@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)[C@@H]1CCCO1 ZINC000858227522 1032810663 /nfs/dbraw/zinc/81/06/63/1032810663.db2.gz URIXFBOTSNWRKC-SFTDATJTSA-N 1 0 321.420 3.623 20 5 DHBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000611299902 1019439650 /nfs/dbraw/zinc/43/96/50/1019439650.db2.gz OGVVFZMDAYLGNA-HUUCEWRRSA-N 1 0 313.401 3.970 20 5 DHBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000611370284 1019455625 /nfs/dbraw/zinc/45/56/25/1019455625.db2.gz FOWLEMNOTJNMAG-TZMCWYRMSA-N 1 0 317.414 3.904 20 5 DHBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000611374906 1019460148 /nfs/dbraw/zinc/46/01/48/1019460148.db2.gz YZHGBTJTLLRQQB-CQSZACIVSA-N 1 0 300.358 3.715 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000611412450 1019476560 /nfs/dbraw/zinc/47/65/60/1019476560.db2.gz PUYGWERSSZCUAU-LBPRGKRZSA-N 1 0 309.391 3.744 20 5 DHBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000611555205 1019518581 /nfs/dbraw/zinc/51/85/81/1019518581.db2.gz RHLRQKLAKOXVGL-PWSUYJOCSA-N 1 0 302.296 3.758 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000315765301 1019868164 /nfs/dbraw/zinc/86/81/64/1019868164.db2.gz PXAVMCRYDOAPHX-QGZVFWFLSA-N 1 0 300.358 3.584 20 5 DHBDRO Cc1cc(N2CC[C@@H](C)[C@H](F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611931011 1019881484 /nfs/dbraw/zinc/88/14/84/1019881484.db2.gz FPWNLYBBWMBJBS-QMTHXVAHSA-N 1 0 303.337 3.636 20 5 DHBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)c1ccccc1 ZINC001171763638 1032867503 /nfs/dbraw/zinc/86/75/03/1032867503.db2.gz CUOSNMHXXOUIKD-UHFFFAOYSA-N 1 0 314.385 3.841 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000922424077 1020066342 /nfs/dbraw/zinc/06/63/42/1020066342.db2.gz KYTOTPICHYWASH-QRPVEOJJSA-N 1 0 318.442 3.872 20 5 DHBDRO CC(C)C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)[NH+](C)C ZINC000731208758 1020083842 /nfs/dbraw/zinc/08/38/42/1020083842.db2.gz KHJDLRSRRVESSS-GFCCVEGCSA-N 1 0 322.434 3.593 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1ccc([N+](=O)[O-])cc1 ZINC000922540483 1020122652 /nfs/dbraw/zinc/12/26/52/1020122652.db2.gz JYLRBWHGYWTPNQ-QWHCGFSZSA-N 1 0 312.369 3.769 20 5 DHBDRO CCC[C@H]([NH2+]Cc1cc(CC)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000765994102 1020191818 /nfs/dbraw/zinc/19/18/18/1020191818.db2.gz PFCDSDWPKPLODL-INIZCTEOSA-N 1 0 302.378 3.511 20 5 DHBDRO Cc1cc([N+](=O)[O-])cnc1NCCCCCCC[NH+]1CCCC1 ZINC000732567239 1020254432 /nfs/dbraw/zinc/25/44/32/1020254432.db2.gz GQPYOEGCSAJQCE-UHFFFAOYSA-N 1 0 320.437 3.756 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCS1 ZINC000155638438 1020255391 /nfs/dbraw/zinc/25/53/91/1020255391.db2.gz INHCNQWTGCNYDB-CYBMUJFWSA-N 1 0 300.811 3.624 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000155622501 1020255467 /nfs/dbraw/zinc/25/54/67/1020255467.db2.gz MWGIFRSEMWIAAX-CYBMUJFWSA-N 1 0 322.405 3.676 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000922776843 1020260063 /nfs/dbraw/zinc/26/00/63/1020260063.db2.gz ZGQLBMHYXNMMQG-GDBMZVCRSA-N 1 0 318.323 3.733 20 5 DHBDRO CCC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090965332 1020263799 /nfs/dbraw/zinc/26/37/99/1020263799.db2.gz QVRJBCLSVUOLPS-XNJGSVPQSA-N 1 0 306.406 3.982 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCCOC2CCCC2)cc1[N+](=O)[O-] ZINC000125260454 1020283174 /nfs/dbraw/zinc/28/31/74/1020283174.db2.gz STJIRXBIPQRASI-CQSZACIVSA-N 1 0 306.406 3.903 20 5 DHBDRO CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000555743603 1020375337 /nfs/dbraw/zinc/37/53/37/1020375337.db2.gz GEEPGVHBBUVXIS-ZIAGYGMSSA-N 1 0 308.426 3.691 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000477743199 1032897247 /nfs/dbraw/zinc/89/72/47/1032897247.db2.gz IKCXCTPOGJVNLN-INIZCTEOSA-N 1 0 300.333 3.819 20 5 DHBDRO COc1ccc(C[NH2+]C2(C)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000612192024 1020390803 /nfs/dbraw/zinc/39/08/03/1020390803.db2.gz IRSPQKGZHQUSRT-UHFFFAOYSA-N 1 0 314.332 3.661 20 5 DHBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282640830 1020477867 /nfs/dbraw/zinc/47/78/67/1020477867.db2.gz BPFBMBDRSUULPV-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000162381262 1020485965 /nfs/dbraw/zinc/48/59/65/1020485965.db2.gz DQPPMXZAUPIVGS-CABCVRRESA-N 1 0 305.422 3.510 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](OC)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001168741998 1020487243 /nfs/dbraw/zinc/48/72/43/1020487243.db2.gz YGRFTYQPMTZYPH-IRXDYDNUSA-N 1 0 306.406 3.841 20 5 DHBDRO CCS[C@@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000303498787 1020494154 /nfs/dbraw/zinc/49/41/54/1020494154.db2.gz XXIOMAARIXKLIY-OAHLLOKOSA-N 1 0 324.446 3.711 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000765848971 1020503130 /nfs/dbraw/zinc/50/31/30/1020503130.db2.gz MLRPJHLATRKTRR-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCC=CO3)o2)c1 ZINC000780565997 1020512184 /nfs/dbraw/zinc/51/21/84/1020512184.db2.gz HKOHBLFXJRSTKG-HNNXBMFYSA-N 1 0 314.341 3.637 20 5 DHBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccc(Cl)cn1)C1CC1 ZINC000554497932 1020547408 /nfs/dbraw/zinc/54/74/08/1020547408.db2.gz ZCHNOKAZOJYHOL-UHFFFAOYSA-N 1 0 317.776 3.808 20 5 DHBDRO COc1ccc([C@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000030002426 1020558937 /nfs/dbraw/zinc/55/89/37/1020558937.db2.gz LKJMAFVZPPVONS-ZDUSSCGKSA-N 1 0 300.358 3.796 20 5 DHBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001217988185 1020732661 /nfs/dbraw/zinc/73/26/61/1020732661.db2.gz NUGXEHWTFMZMAF-UFBFGSQYSA-N 1 0 319.188 3.669 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000613180025 1020846843 /nfs/dbraw/zinc/84/68/43/1020846843.db2.gz FERIRVVAYBWUTC-GOEBONIOSA-N 1 0 311.385 3.615 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CO1 ZINC000581131000 1020875505 /nfs/dbraw/zinc/87/55/05/1020875505.db2.gz COUAZKBKSICJPX-NEPJUHHUSA-N 1 0 318.398 3.590 20 5 DHBDRO COC1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000414183880 1020971823 /nfs/dbraw/zinc/97/18/23/1020971823.db2.gz OFOJKMIKTOGHDS-AJUCZRQESA-N 1 0 318.417 3.864 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000414253100 1021034463 /nfs/dbraw/zinc/03/44/63/1021034463.db2.gz ATXGZAQVVZGXLL-RMRKRWHISA-N 1 0 306.406 3.839 20 5 DHBDRO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275857 1021217461 /nfs/dbraw/zinc/21/74/61/1021217461.db2.gz LRNWVZOWKPZRKU-SFHVURJKSA-N 1 0 314.385 3.539 20 5 DHBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000189121443 1021333551 /nfs/dbraw/zinc/33/35/51/1021333551.db2.gz DLAFPPVQENNGLD-NWDGAFQWSA-N 1 0 320.414 3.836 20 5 DHBDRO CCOC[C@@H]([NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)C(C)C ZINC000189354727 1021359550 /nfs/dbraw/zinc/35/95/50/1021359550.db2.gz LOFOUWCMOJHVLX-DZGCQCFKSA-N 1 0 324.421 3.705 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C=CCC3)o2)c([N+](=O)[O-])c1 ZINC000850358712 1021486421 /nfs/dbraw/zinc/48/64/21/1021486421.db2.gz KDCPPUTUGZJYQE-LBPRGKRZSA-N 1 0 314.341 3.672 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000850368526 1021490066 /nfs/dbraw/zinc/49/00/66/1021490066.db2.gz YZEYISSTDABJRY-CQSZACIVSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCO2 ZINC000850430752 1021528401 /nfs/dbraw/zinc/52/84/01/1021528401.db2.gz PLGRIEWUAJNZPZ-ZDUSSCGKSA-N 1 0 312.369 3.771 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000850439673 1021535407 /nfs/dbraw/zinc/53/54/07/1021535407.db2.gz QTDNSMBZMJLCJL-LOWVWBTDSA-N 1 0 310.419 3.538 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000850525066 1021577660 /nfs/dbraw/zinc/57/76/60/1021577660.db2.gz KMMJTJLYIBRVTC-GOEBONIOSA-N 1 0 304.390 3.737 20 5 DHBDRO CN1CCc2c(NCCC3=CCCCC3)ccc([N+](=O)[O-])c2C1 ZINC001168774213 1021581229 /nfs/dbraw/zinc/58/12/29/1021581229.db2.gz DRTNXNMQPMPFQL-UHFFFAOYSA-N 1 0 315.417 3.885 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850530287 1021584857 /nfs/dbraw/zinc/58/48/57/1021584857.db2.gz YJGBPBFDIPFKEM-RZAIGCCYSA-N 1 0 312.369 3.732 20 5 DHBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618984954 1021605332 /nfs/dbraw/zinc/60/53/32/1021605332.db2.gz NFZPWNYXAIFMEO-IIYDPXPESA-N 1 0 318.417 3.722 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000182456213 1021663444 /nfs/dbraw/zinc/66/34/44/1021663444.db2.gz ATFUEDPQMZGLPX-CQSZACIVSA-N 1 0 303.362 3.749 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000609287619 1021676247 /nfs/dbraw/zinc/67/62/47/1021676247.db2.gz DQVPZDAERMKJOA-OCCSQVGLSA-N 1 0 306.406 3.908 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000194810984 1021710368 /nfs/dbraw/zinc/71/03/68/1021710368.db2.gz NDFHJEQOEVSMOA-MRXNPFEDSA-N 1 0 300.358 3.844 20 5 DHBDRO C[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746047981 1021834395 /nfs/dbraw/zinc/83/43/95/1021834395.db2.gz ADLDBGINODGNGU-KBPBESRZSA-N 1 0 300.358 3.713 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000556888144 1021932369 /nfs/dbraw/zinc/93/23/69/1021932369.db2.gz ZFLDWKXTUWJXSE-VURMDHGXSA-N 1 0 316.401 3.643 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc(Cl)nc1 ZINC000122759879 1022046141 /nfs/dbraw/zinc/04/61/41/1022046141.db2.gz AOURIPSRUJYBBK-LBPRGKRZSA-N 1 0 319.792 3.845 20 5 DHBDRO CC(C)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776580395 1022099057 /nfs/dbraw/zinc/09/90/57/1022099057.db2.gz UZXHFQYZINQAFR-KRWDZBQOSA-N 1 0 306.406 3.529 20 5 DHBDRO CC(C)CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776580748 1022099414 /nfs/dbraw/zinc/09/94/14/1022099414.db2.gz ZQMYDNOQHMATGO-GOSISDBHSA-N 1 0 320.433 3.919 20 5 DHBDRO CCC(CC)[N@H+](CC(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588733 1022115848 /nfs/dbraw/zinc/11/58/48/1022115848.db2.gz BJCMOVJJRHLWSM-QGZVFWFLSA-N 1 0 308.422 3.775 20 5 DHBDRO CCC1CCC([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776593475 1022117586 /nfs/dbraw/zinc/11/75/86/1022117586.db2.gz WUBUDNIUMHNDDR-PGEKIEPBSA-N 1 0 306.406 3.529 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC)CSC)cc1[N+](=O)[O-] ZINC000183523187 1022162756 /nfs/dbraw/zinc/16/27/56/1022162756.db2.gz DVAPBICWDCQUMS-DGCLKSJQSA-N 1 0 312.435 3.786 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000195417419 1022181115 /nfs/dbraw/zinc/18/11/15/1022181115.db2.gz RERLJDXSYZWRSA-INIZCTEOSA-N 1 0 300.358 3.844 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC001168976553 1022197109 /nfs/dbraw/zinc/19/71/09/1022197109.db2.gz DPQXUSIUOUGCRV-NRSFXHEJSA-N 1 0 302.418 3.748 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC(c2ccccc2)c2ccccc2)C1 ZINC001168960073 1022200466 /nfs/dbraw/zinc/20/04/66/1022200466.db2.gz ZUMMOBICEIIEKA-APWZRJJASA-N 1 0 324.424 3.854 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC001168959355 1022201498 /nfs/dbraw/zinc/20/14/98/1022201498.db2.gz VDCNAGMWXKWNJK-MAUKXSAKSA-N 1 0 310.397 3.889 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(Cl)c1F ZINC001168964656 1022201713 /nfs/dbraw/zinc/20/17/13/1022201713.db2.gz VBCPKIDYSFOYQW-OUAUKWLOSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC001168965983 1022203544 /nfs/dbraw/zinc/20/35/44/1022203544.db2.gz FJGXUWRPMHIBFW-QFBILLFUSA-N 1 0 310.397 3.889 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001168973509 1022205959 /nfs/dbraw/zinc/20/59/59/1022205959.db2.gz OWGPLCBSYWIAFU-COPLHBTASA-N 1 0 316.323 3.801 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)C1 ZINC001168997029 1022208626 /nfs/dbraw/zinc/20/86/26/1022208626.db2.gz XCXUKHWMGDLLPL-GDBMZVCRSA-N 1 0 322.836 3.698 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(CC3CC3)CCC(F)(F)CC2)C1 ZINC001168999682 1022209506 /nfs/dbraw/zinc/20/95/06/1022209506.db2.gz UHWFLEWCARBTBC-KGLIPLIRSA-N 1 0 316.392 3.770 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CC2)c2cccc(F)c2)C1 ZINC001169001716 1022210642 /nfs/dbraw/zinc/21/06/42/1022210642.db2.gz HXNJVKYQOMPASX-KBRIMQKVSA-N 1 0 306.381 3.702 20 5 DHBDRO CC[N+](C)(C)Cc1ccccc1NCCc1cn2ccccc2n1 ZINC001169003370 1022210842 /nfs/dbraw/zinc/21/08/42/1022210842.db2.gz DELGAIRSKIPIPU-UHFFFAOYSA-N 1 0 323.464 3.585 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccc(F)cc3)CCC2)C1 ZINC001169004936 1022211751 /nfs/dbraw/zinc/21/17/51/1022211751.db2.gz SHHDCXDCCVCVEN-WBVHZDCISA-N 1 0 320.408 3.574 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)C1 ZINC001169038485 1022222141 /nfs/dbraw/zinc/22/21/41/1022222141.db2.gz ZDQDLMOLRKYMBW-AXAPSJFSSA-N 1 0 310.344 3.547 20 5 DHBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCC(C3CCC3)CC2)c1 ZINC000853124605 1022228494 /nfs/dbraw/zinc/22/84/94/1022228494.db2.gz PIRCITYIKQOIFG-JFUPDXTOSA-N 1 0 318.417 3.577 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C2CC2)c1 ZINC001167735355 1022229127 /nfs/dbraw/zinc/22/91/27/1022229127.db2.gz ZUEZOMHFZJCUDS-ZWKOTPCHSA-N 1 0 316.401 3.517 20 5 DHBDRO COc1cccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169142913 1022273828 /nfs/dbraw/zinc/27/38/28/1022273828.db2.gz HRNOXZKNIVGCMF-SJCJKPOMSA-N 1 0 321.421 3.559 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169144467 1022274597 /nfs/dbraw/zinc/27/45/97/1022274597.db2.gz MJFVCYUWSLFQER-SUMWQHHRSA-N 1 0 305.422 3.859 20 5 DHBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169144972 1022275264 /nfs/dbraw/zinc/27/52/64/1022275264.db2.gz BMVFAKJZDPRNIR-YVEFUNNKSA-N 1 0 323.412 3.998 20 5 DHBDRO Cc1cccc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001169145999 1022277320 /nfs/dbraw/zinc/27/73/20/1022277320.db2.gz QKQYOWIENHHOJV-GUYCJALGSA-N 1 0 305.422 3.859 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCc3ccc(C)cc32)cc1[N+](=O)[O-] ZINC000609440743 1022283132 /nfs/dbraw/zinc/28/31/32/1022283132.db2.gz LMUDNKRLVRILEN-INIZCTEOSA-N 1 0 312.369 3.689 20 5 DHBDRO COc1ccc(C[NH2+]Cc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000609440325 1022285514 /nfs/dbraw/zinc/28/55/14/1022285514.db2.gz JLWJAJDMLXQWEC-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO [NH3+]Cc1cccc2c1cnn2-c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001169195905 1022292850 /nfs/dbraw/zinc/29/28/50/1022292850.db2.gz UXPAHNXPLMHSCK-UHFFFAOYSA-N 1 0 318.336 3.546 20 5 DHBDRO CC[C@@H]([NH2+]CCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000195670122 1022401893 /nfs/dbraw/zinc/40/18/93/1022401893.db2.gz COVMNHNSKMMKLD-QGZVFWFLSA-N 1 0 300.358 3.715 20 5 DHBDRO C[NH+](C)CCC(C)(C)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001169717688 1022517982 /nfs/dbraw/zinc/51/79/82/1022517982.db2.gz JFDMXIJQDFWHGM-UHFFFAOYSA-N 1 0 301.390 3.890 20 5 DHBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001169780242 1022545498 /nfs/dbraw/zinc/54/54/98/1022545498.db2.gz JYBBOONRGXHKBR-MRXNPFEDSA-N 1 0 310.369 3.515 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000615721296 1022546198 /nfs/dbraw/zinc/54/61/98/1022546198.db2.gz YKCFCZSLXQCUGN-ZGUWOUCSSA-N 1 0 308.381 3.928 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)c1ccncc1 ZINC000615723943 1022546834 /nfs/dbraw/zinc/54/68/34/1022546834.db2.gz CZOZXZVPWKJPCT-LTBFUDJGSA-N 1 0 311.385 3.786 20 5 DHBDRO CC(C)(C)c1ccc(NCC23CC[NH+](CC2)CC3)c([N+](=O)[O-])c1 ZINC001169796391 1022549682 /nfs/dbraw/zinc/54/96/82/1022549682.db2.gz MZOKVLIVURLFMB-UHFFFAOYSA-N 1 0 317.433 3.790 20 5 DHBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481179539 1022617330 /nfs/dbraw/zinc/61/73/30/1022617330.db2.gz YZKCFRBKWJKBOB-BXUZGUMPSA-N 1 0 310.369 3.801 20 5 DHBDRO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000417316737 1022673363 /nfs/dbraw/zinc/67/33/63/1022673363.db2.gz UUHNATIWVBJODG-QWQRMKEZSA-N 1 0 318.417 3.767 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417307937 1022676055 /nfs/dbraw/zinc/67/60/55/1022676055.db2.gz GUYSYQJAKFBTOU-VBNZEHGJSA-N 1 0 316.426 3.981 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417307811 1022676076 /nfs/dbraw/zinc/67/60/76/1022676076.db2.gz HJJGQDXDBBFXEZ-BYCMXARLSA-N 1 0 302.399 3.938 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)CCCC2 ZINC000417313620 1022678624 /nfs/dbraw/zinc/67/86/24/1022678624.db2.gz POQLDHWVGOAXKR-MZMPZRCHSA-N 1 0 318.417 3.503 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CC(C)C)OC)cc1[N+](=O)[O-] ZINC000417368382 1022709691 /nfs/dbraw/zinc/70/96/91/1022709691.db2.gz OOWSIMIKTHRPCZ-HIFRSBDPSA-N 1 0 324.421 3.705 20 5 DHBDRO Cc1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000856808424 1022874808 /nfs/dbraw/zinc/87/48/08/1022874808.db2.gz ZSMZOBLCYQTMMO-NSHDSACASA-N 1 0 303.189 3.577 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CC34CC4)cs2)c1 ZINC000418105132 1022958737 /nfs/dbraw/zinc/95/87/37/1022958737.db2.gz XOBWKEQGSCYLMI-GFCCVEGCSA-N 1 0 315.398 3.608 20 5 DHBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092658309 1022961866 /nfs/dbraw/zinc/96/18/66/1022961866.db2.gz XWHKSLQAGBDERK-UHFFFAOYSA-N 1 0 305.403 3.577 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCc1nccs1)CCC2 ZINC000278831187 1022993974 /nfs/dbraw/zinc/99/39/74/1022993974.db2.gz UAODAMKXCDWCTO-OAHLLOKOSA-N 1 0 317.414 3.651 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000876585262 1033098613 /nfs/dbraw/zinc/09/86/13/1033098613.db2.gz GHGWUIQCMITAGX-GOSISDBHSA-N 1 0 311.385 3.944 20 5 DHBDRO CC1(C[NH2+]Cc2c3ccccc3cc3ccccc32)OCCO1 ZINC000768639283 1023002359 /nfs/dbraw/zinc/00/23/59/1023002359.db2.gz GJCQNHXUEOBWTB-UHFFFAOYSA-N 1 0 307.393 3.846 20 5 DHBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCCC[N@H+]1CCCC[C@@H]1C ZINC001167754314 1023048464 /nfs/dbraw/zinc/04/84/64/1023048464.db2.gz RUKRTYWTZXMTEQ-LBPRGKRZSA-N 1 0 309.385 3.719 20 5 DHBDRO CC[C@H]1CCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769009410 1023079055 /nfs/dbraw/zinc/07/90/55/1023079055.db2.gz QWZWTVNFSCOQAN-JTQLQIEISA-N 1 0 313.195 3.732 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181406805 1023082683 /nfs/dbraw/zinc/08/26/83/1023082683.db2.gz PNAOUDFMVRJIEE-MSOLQXFVSA-N 1 0 314.385 3.678 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000045287728 1023566063 /nfs/dbraw/zinc/56/60/63/1023566063.db2.gz KDYAXCNWVJJYDW-HNNXBMFYSA-N 1 0 319.336 3.576 20 5 DHBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000111384314 1023695908 /nfs/dbraw/zinc/69/59/08/1023695908.db2.gz WRIDRUXXWBUQTG-INIZCTEOSA-N 1 0 320.414 3.574 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788481850 1023891729 /nfs/dbraw/zinc/89/17/29/1023891729.db2.gz JNMRUESFQDZGHO-STQMWFEESA-N 1 0 312.410 3.840 20 5 DHBDRO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562137 1023905818 /nfs/dbraw/zinc/90/58/18/1023905818.db2.gz JHTVODVFVANXLM-VXGBXAGGSA-N 1 0 317.364 3.598 20 5 DHBDRO Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000788612566 1023914664 /nfs/dbraw/zinc/91/46/64/1023914664.db2.gz MYRVXTIJJDYAKI-DGCLKSJQSA-N 1 0 317.389 3.750 20 5 DHBDRO C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788753333 1023928889 /nfs/dbraw/zinc/92/88/89/1023928889.db2.gz IYFZUJWGLRJDJL-CYBMUJFWSA-N 1 0 311.385 3.603 20 5 DHBDRO C[C@H](CC[NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000320913233 1024082746 /nfs/dbraw/zinc/08/27/46/1024082746.db2.gz PNAFOPIZPCTGBC-OAHLLOKOSA-N 1 0 314.385 3.757 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000159225584 1024204744 /nfs/dbraw/zinc/20/47/44/1024204744.db2.gz XGQZYEAYFONEMH-IXDOHACOSA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000268969307 1024206054 /nfs/dbraw/zinc/20/60/54/1024206054.db2.gz HYTCKYOOALAYHR-WBMJQRKESA-N 1 0 320.414 3.523 20 5 DHBDRO CC[C@H]([NH2+]CCc1csc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000221958307 1024225744 /nfs/dbraw/zinc/22/57/44/1024225744.db2.gz RWSJVUILZQQZLJ-HNNXBMFYSA-N 1 0 305.403 3.643 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)cc1[N+](=O)[O-] ZINC000269044106 1024230405 /nfs/dbraw/zinc/23/04/05/1024230405.db2.gz UQTIMWFAMKVDFV-MNOVXSKESA-N 1 0 320.311 3.521 20 5 DHBDRO CCSc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000883236460 1024309367 /nfs/dbraw/zinc/30/93/67/1024309367.db2.gz BMZVSLZZFYZVGS-UHFFFAOYSA-N 1 0 302.399 3.997 20 5 DHBDRO CCOc1cc(NCc2cnc(C)cc2C)ccc1[N+](=O)[O-] ZINC000397023690 1024347179 /nfs/dbraw/zinc/34/71/79/1024347179.db2.gz SZRGZYDSGFBKPT-UHFFFAOYSA-N 1 0 301.346 3.617 20 5 DHBDRO Cc1cnc(CC[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000270119057 1024353120 /nfs/dbraw/zinc/35/31/20/1024353120.db2.gz NKYOXRWVKBCNBA-LBPRGKRZSA-N 1 0 305.403 3.595 20 5 DHBDRO COc1ccccc1CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000105495142 1024392867 /nfs/dbraw/zinc/39/28/67/1024392867.db2.gz PLGNZVUIVIEERO-UHFFFAOYSA-N 1 0 314.385 3.714 20 5 DHBDRO C[S@](=O)CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000116918724 1033209393 /nfs/dbraw/zinc/20/93/93/1033209393.db2.gz SOBOALZSAKGXOV-JOCHJYFZSA-N 1 0 311.450 3.851 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](OC)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000453268946 1024433480 /nfs/dbraw/zinc/43/34/80/1024433480.db2.gz OXTXMGQLFRLNEP-IIYDPXPESA-N 1 0 324.421 3.705 20 5 DHBDRO CCc1ncc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000271064451 1024452062 /nfs/dbraw/zinc/45/20/62/1024452062.db2.gz ILIRDASXZLXKCI-UHFFFAOYSA-N 1 0 317.414 3.778 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453310611 1024456700 /nfs/dbraw/zinc/45/67/00/1024456700.db2.gz FPMYPKNRZALGAT-KBPBESRZSA-N 1 0 304.390 3.595 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccs1 ZINC000271168756 1024462946 /nfs/dbraw/zinc/46/29/46/1024462946.db2.gz TXKPAJOIJLSJMH-LLVKDONJSA-N 1 0 323.443 3.712 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1OC ZINC000453322612 1024464087 /nfs/dbraw/zinc/46/40/87/1024464087.db2.gz IWUJCVZJVWDZSN-GZBFAFLISA-N 1 0 324.446 3.623 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000453402619 1024499391 /nfs/dbraw/zinc/49/93/91/1024499391.db2.gz CLGNSUDMIFJLGO-KBPBESRZSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000106478125 1024536967 /nfs/dbraw/zinc/53/69/67/1024536967.db2.gz JLJSSAQEBYTFLK-MRXNPFEDSA-N 1 0 300.333 3.819 20 5 DHBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC1(C)C ZINC000339134325 1024572851 /nfs/dbraw/zinc/57/28/51/1024572851.db2.gz VGBUFKZRVYFGNG-GFCCVEGCSA-N 1 0 302.296 3.844 20 5 DHBDRO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532247809 1024584947 /nfs/dbraw/zinc/58/49/47/1024584947.db2.gz FRERGSUUPCEULG-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001202602606 1024595133 /nfs/dbraw/zinc/59/51/33/1024595133.db2.gz HWXCATCWFYURME-HUUCEWRRSA-N 1 0 306.406 3.909 20 5 DHBDRO COCC(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000066995987 1024730052 /nfs/dbraw/zinc/73/00/52/1024730052.db2.gz DMJLVLUMJZCJIG-UHFFFAOYSA-N 1 0 320.414 3.838 20 5 DHBDRO CC[C@H](C)C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111254975 1024749700 /nfs/dbraw/zinc/74/97/00/1024749700.db2.gz YBXINSOXICXVEG-ZDUSSCGKSA-N 1 0 317.389 3.770 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH+]2C3CCCC2CCC3)c([N+](=O)[O-])c1 ZINC001170355273 1024750237 /nfs/dbraw/zinc/75/02/37/1024750237.db2.gz YTFDPPIZNXXSLX-IUDNXUCKSA-N 1 0 318.417 3.941 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc2ccccc2n1 ZINC000349904317 1024768125 /nfs/dbraw/zinc/76/81/25/1024768125.db2.gz JIVJTEZCOLYEPP-UHFFFAOYSA-N 1 0 307.353 3.741 20 5 DHBDRO CCCC[C@H](CCC)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877092947 1033238825 /nfs/dbraw/zinc/23/88/25/1033238825.db2.gz BNOPXLNORFLBRR-NFOMZHRRSA-N 1 0 308.426 3.691 20 5 DHBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000792868210 1024810373 /nfs/dbraw/zinc/81/03/73/1024810373.db2.gz SDTICLKYVXYNEK-NWDGAFQWSA-N 1 0 321.377 3.902 20 5 DHBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878078 1024819285 /nfs/dbraw/zinc/81/92/85/1024819285.db2.gz RVGSUSBLMMGUBG-SWLSCSKDSA-N 1 0 321.377 3.952 20 5 DHBDRO CC(C)C1CCC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877099907 1033242172 /nfs/dbraw/zinc/24/21/72/1033242172.db2.gz PCQDBGOEAZIIED-UHFFFAOYSA-N 1 0 320.437 3.547 20 5 DHBDRO CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000793242395 1024961000 /nfs/dbraw/zinc/96/10/00/1024961000.db2.gz QHJKTSJVYKZGCN-ZWKOTPCHSA-N 1 0 314.385 3.587 20 5 DHBDRO CO[C@@]1(C)CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000793340565 1024984757 /nfs/dbraw/zinc/98/47/57/1024984757.db2.gz QRCMBJJVDYNCFT-HNNXBMFYSA-N 1 0 312.797 3.639 20 5 DHBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000793388748 1025031894 /nfs/dbraw/zinc/03/18/94/1025031894.db2.gz FWCADIKGMUMRHI-OAQYLSRUSA-N 1 0 318.420 3.690 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000539059384 1033259036 /nfs/dbraw/zinc/25/90/36/1033259036.db2.gz BVEIGBVUGGDZOS-ZDUSSCGKSA-N 1 0 312.369 3.784 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC001203162022 1025147193 /nfs/dbraw/zinc/14/71/93/1025147193.db2.gz VTQRLQRYAJGAHS-ZFWWWQNUSA-N 1 0 306.406 3.765 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC001203162020 1025148182 /nfs/dbraw/zinc/14/81/82/1025148182.db2.gz VTQRLQRYAJGAHS-HIFRSBDPSA-N 1 0 306.406 3.765 20 5 DHBDRO CC(C)(CC(F)(F)F)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000614822473 1025244728 /nfs/dbraw/zinc/24/47/28/1025244728.db2.gz QNQYIDIBXJJOHW-FNORWQNLSA-N 1 0 302.296 3.929 20 5 DHBDRO CCCN1CCC[C@@H]1C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000353971641 1025307820 /nfs/dbraw/zinc/30/78/20/1025307820.db2.gz LIBJNCNQYJXRPT-SJORKVTESA-N 1 0 305.422 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000804505719 1025323525 /nfs/dbraw/zinc/32/35/25/1025323525.db2.gz IUGCFQBEJWJECX-CYBMUJFWSA-N 1 0 323.824 3.560 20 5 DHBDRO CCO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897459119 1025351504 /nfs/dbraw/zinc/35/15/04/1025351504.db2.gz HPVUHEXFMAPCEI-SOUVJXGZSA-N 1 0 306.406 3.636 20 5 DHBDRO Cc1cnc(Cl)c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897459304 1025356476 /nfs/dbraw/zinc/35/64/76/1025356476.db2.gz JVJWKKUKWPBNJS-LBPRGKRZSA-N 1 0 319.792 3.845 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000877316275 1033279801 /nfs/dbraw/zinc/27/98/01/1033279801.db2.gz QZRVRBYSWMLPGN-GFCCVEGCSA-N 1 0 319.430 3.904 20 5 DHBDRO CCc1nc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000897468844 1025385101 /nfs/dbraw/zinc/38/51/01/1025385101.db2.gz ADFLAZKXACXDIP-LLVKDONJSA-N 1 0 305.403 3.507 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2OCC(F)F)cc1 ZINC000885926699 1025407977 /nfs/dbraw/zinc/40/79/77/1025407977.db2.gz GNZIEWCRCCNPDZ-UHFFFAOYSA-N 1 0 322.311 3.529 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000886002205 1025434963 /nfs/dbraw/zinc/43/49/63/1025434963.db2.gz TUGSBISFQQLTJG-MRXNPFEDSA-N 1 0 318.417 3.609 20 5 DHBDRO O=[N+]([O-])c1ncccc1CN(Cc1ccc(F)cc1)CC1CC1 ZINC000886013197 1025438942 /nfs/dbraw/zinc/43/89/42/1025438942.db2.gz YFEBEOQCGISPHT-UHFFFAOYSA-N 1 0 315.348 3.541 20 5 DHBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000747211282 1025466438 /nfs/dbraw/zinc/46/64/38/1025466438.db2.gz DCGCSNDHLRWRGM-RYUDHWBXSA-N 1 0 309.797 3.595 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C3CC3)O2)cc1[N+](=O)[O-] ZINC000886111672 1025510357 /nfs/dbraw/zinc/51/03/57/1025510357.db2.gz GMWWRFLBOXIEFG-XGWLTEMNSA-N 1 0 304.390 3.511 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000886114504 1025513534 /nfs/dbraw/zinc/51/35/34/1025513534.db2.gz QOPHNTYNKTYORG-KGLIPLIRSA-N 1 0 304.390 3.595 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2nc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000806134844 1025779006 /nfs/dbraw/zinc/77/90/06/1025779006.db2.gz OOOPIIGJVBYLMO-YGRLFVJLSA-N 1 0 317.776 3.981 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886700585 1025809976 /nfs/dbraw/zinc/80/99/76/1025809976.db2.gz BXTYBKZWUWRAAA-UKRRQHHQSA-N 1 0 304.390 3.513 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000886928907 1025983702 /nfs/dbraw/zinc/98/37/02/1025983702.db2.gz XEVQJBHQHNAUGG-OAHLLOKOSA-N 1 0 304.296 3.650 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289640458 1026110489 /nfs/dbraw/zinc/11/04/89/1026110489.db2.gz FOLGJPBOHMPOJX-WQVCFCJDSA-N 1 0 304.390 3.545 20 5 DHBDRO CC(C)CC1(C)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000808780560 1026391412 /nfs/dbraw/zinc/39/14/12/1026391412.db2.gz RYWJNEGZVCIRTI-QGZVFWFLSA-N 1 0 320.433 3.776 20 5 DHBDRO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000513510023 1026527549 /nfs/dbraw/zinc/52/75/49/1026527549.db2.gz XRBOAEVSSLTYNM-NBEHIINDSA-N 1 0 318.417 3.889 20 5 DHBDRO CC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000809733151 1026598196 /nfs/dbraw/zinc/59/81/96/1026598196.db2.gz PPPUSLMTHIFNKR-MRXNPFEDSA-N 1 0 306.406 3.578 20 5 DHBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000420293149 1026794672 /nfs/dbraw/zinc/79/46/72/1026794672.db2.gz XSQSNZYZNLHALL-UWVGGRQHSA-N 1 0 317.311 3.543 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000237167736 1026936451 /nfs/dbraw/zinc/93/64/51/1026936451.db2.gz YWDLNBLLKMRVKK-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000811493059 1027011638 /nfs/dbraw/zinc/01/16/38/1027011638.db2.gz FXIQZYYEDKLRMU-NSHDSACASA-N 1 0 317.172 3.684 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1Cl ZINC000421824404 1027058436 /nfs/dbraw/zinc/05/84/36/1027058436.db2.gz IMLRRJZLYHCMHU-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000571997568 1027164003 /nfs/dbraw/zinc/16/40/03/1027164003.db2.gz UCEPVIXBMAEPDA-IUODEOHRSA-N 1 0 324.808 3.639 20 5 DHBDRO CCc1nc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000157097711 1027230248 /nfs/dbraw/zinc/23/02/48/1027230248.db2.gz CQSNHJVWCLXIJB-GFCCVEGCSA-N 1 0 319.430 3.815 20 5 DHBDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000573933489 1027342567 /nfs/dbraw/zinc/34/25/67/1027342567.db2.gz GWOYYFLQUIIXRX-SJCJKPOMSA-N 1 0 312.369 3.942 20 5 DHBDRO Cc1cccc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001170682233 1027353605 /nfs/dbraw/zinc/35/36/05/1027353605.db2.gz YCYYKVTZBNTQLJ-ZDUSSCGKSA-N 1 0 322.368 3.776 20 5 DHBDRO CCCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC001170684916 1027385949 /nfs/dbraw/zinc/38/59/49/1027385949.db2.gz YYZPPIPXWVWZRT-ZBFHGGJFSA-N 1 0 322.453 3.781 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000574676207 1027416911 /nfs/dbraw/zinc/41/69/11/1027416911.db2.gz VFCMWWZSFHJWGS-HUUCEWRRSA-N 1 0 307.438 3.674 20 5 DHBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000932276676 1027441539 /nfs/dbraw/zinc/44/15/39/1027441539.db2.gz VLTFUPLVQLFSTL-RHSMWYFYSA-N 1 0 311.385 3.758 20 5 DHBDRO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852389 1027449145 /nfs/dbraw/zinc/44/91/45/1027449145.db2.gz FKFVOROCVMYRJH-LRDDRELGSA-N 1 0 320.414 3.600 20 5 DHBDRO COC(C)(C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000932371988 1027467218 /nfs/dbraw/zinc/46/72/18/1027467218.db2.gz DOSJLZIYXKHTCX-VIFPVBQESA-N 1 0 320.311 3.517 20 5 DHBDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000575348079 1027474602 /nfs/dbraw/zinc/47/46/02/1027474602.db2.gz RCKMPLVBSOFRDQ-MFKMUULPSA-N 1 0 302.296 3.892 20 5 DHBDRO CC(F)(F)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000296151176 1027556780 /nfs/dbraw/zinc/55/67/80/1027556780.db2.gz VWTBWPNSABELGV-GXTWGEPZSA-N 1 0 312.360 3.941 20 5 DHBDRO CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000423499264 1027563894 /nfs/dbraw/zinc/56/38/94/1027563894.db2.gz JGIZQHMPOFXOJZ-UGSOOPFHSA-N 1 0 313.401 3.508 20 5 DHBDRO Cc1cccnc1CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296413428 1027628170 /nfs/dbraw/zinc/62/81/70/1027628170.db2.gz KYOSHZUOKICNSM-OAHLLOKOSA-N 1 0 313.401 3.890 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@]2(C)Cc2cccs2)c1[N+](=O)[O-] ZINC000932924089 1027653143 /nfs/dbraw/zinc/65/31/43/1027653143.db2.gz WAWXYYDPOFMHJX-OAHLLOKOSA-N 1 0 321.402 3.550 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933079266 1027669951 /nfs/dbraw/zinc/66/99/51/1027669951.db2.gz KXFISTXLJRQKPZ-HOCLYGCPSA-N 1 0 318.417 3.794 20 5 DHBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000576953594 1027684301 /nfs/dbraw/zinc/68/43/01/1027684301.db2.gz VETIGQIWFYLOKX-FWEDBPMCSA-N 1 0 318.417 3.791 20 5 DHBDRO CC(C)([NH2+]Cc1ccc(C(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000601110071 1027987623 /nfs/dbraw/zinc/98/76/23/1027987623.db2.gz YQBFTYFCUMLQIU-UHFFFAOYSA-N 1 0 321.327 3.952 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000934384668 1027988545 /nfs/dbraw/zinc/98/85/45/1027988545.db2.gz FBOZVXPKHNICLD-XJKSGUPXSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000578668925 1028210071 /nfs/dbraw/zinc/21/00/71/1028210071.db2.gz UWQCVFHYJALVQA-JCURWCKSSA-N 1 0 324.380 3.736 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000578668927 1028211911 /nfs/dbraw/zinc/21/19/11/1028211911.db2.gz UWQCVFHYJALVQA-ZLIFDBKOSA-N 1 0 324.380 3.736 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@H]4CCCC[C@H]43)co2)cc1 ZINC000368088382 1028294819 /nfs/dbraw/zinc/29/48/19/1028294819.db2.gz FEDFRZBKUQSHRU-CZUORRHYSA-N 1 0 313.357 3.624 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(C[NH+](C)C)cc1 ZINC000449043690 1028307290 /nfs/dbraw/zinc/30/72/90/1028307290.db2.gz YZPAGJIUWWIBQD-AWEZNQCLSA-N 1 0 313.401 3.700 20 5 DHBDRO Cc1nc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449119675 1028376112 /nfs/dbraw/zinc/37/61/12/1028376112.db2.gz AMFRPCXSCUDDCV-QWRGUYRKSA-N 1 0 305.403 3.642 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000369114049 1028447451 /nfs/dbraw/zinc/44/74/51/1028447451.db2.gz YTVFJOMJZXAJTR-NVXWUHKLSA-N 1 0 311.385 3.806 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000449216691 1028460292 /nfs/dbraw/zinc/46/02/92/1028460292.db2.gz UOKJQNSCRFOFDQ-NHYWBVRUSA-N 1 0 317.389 3.872 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449237637 1028481005 /nfs/dbraw/zinc/48/10/05/1028481005.db2.gz OMCPWTGOCSQOHK-NEPJUHHUSA-N 1 0 319.430 3.684 20 5 DHBDRO Cc1cnc([C@H](C)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449236975 1028484409 /nfs/dbraw/zinc/48/44/09/1028484409.db2.gz MIGOKFNXEDHFPN-VXGBXAGGSA-N 1 0 319.430 3.684 20 5 DHBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369560527 1028504468 /nfs/dbraw/zinc/50/44/68/1028504468.db2.gz HIUHLWRCURRBFA-LRDDRELGSA-N 1 0 317.414 3.761 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000449329466 1028536975 /nfs/dbraw/zinc/53/69/75/1028536975.db2.gz OJXNYNIHRMFRAN-VFVRVIDISA-N 1 0 312.369 3.638 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562831 1028544354 /nfs/dbraw/zinc/54/43/54/1028544354.db2.gz NJMDYRDOVVXOEH-WDEREUQCSA-N 1 0 305.403 3.520 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000449319286 1028547628 /nfs/dbraw/zinc/54/76/28/1028547628.db2.gz JJWHKZAFXOHQJX-CHWSQXEVSA-N 1 0 324.384 3.753 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815575806 1028552042 /nfs/dbraw/zinc/55/20/42/1028552042.db2.gz AZIHKMXVUYYFKQ-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC000815575769 1028552423 /nfs/dbraw/zinc/55/24/23/1028552423.db2.gz ZQXVCQWOMJMRCL-WBMJQRKESA-N 1 0 314.389 3.764 20 5 DHBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000815598943 1028563764 /nfs/dbraw/zinc/56/37/64/1028563764.db2.gz GXVUKAPJGDIXIE-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600322 1028564657 /nfs/dbraw/zinc/56/46/57/1028564657.db2.gz QLWNZSLRXUHXCH-VXGBXAGGSA-N 1 0 314.389 3.546 20 5 DHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618358 1028571427 /nfs/dbraw/zinc/57/14/27/1028571427.db2.gz JVRRICHIGYNNDV-BXKDBHETSA-N 1 0 319.327 3.805 20 5 DHBDRO CC[C@](C)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OC ZINC000449473650 1028675413 /nfs/dbraw/zinc/67/54/13/1028675413.db2.gz HZMCUWYAKUEANB-QGZVFWFLSA-N 1 0 318.373 3.760 20 5 DHBDRO CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000449477002 1028677371 /nfs/dbraw/zinc/67/73/71/1028677371.db2.gz WBKDWZWRPVYUGG-HNNXBMFYSA-N 1 0 322.405 3.766 20 5 DHBDRO Cc1csc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449494677 1028697485 /nfs/dbraw/zinc/69/74/85/1028697485.db2.gz BFDRAVNJNYZMQQ-AWEZNQCLSA-N 1 0 317.414 3.739 20 5 DHBDRO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449497300 1028709425 /nfs/dbraw/zinc/70/94/25/1028709425.db2.gz IQFXJQBVWGQPIS-CQSZACIVSA-N 1 0 317.414 3.739 20 5 DHBDRO CSC1(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449501564 1028719494 /nfs/dbraw/zinc/71/94/94/1028719494.db2.gz PZJPWVMTBNEDMZ-CQSZACIVSA-N 1 0 306.431 3.670 20 5 DHBDRO Cc1cccnc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449505399 1028730458 /nfs/dbraw/zinc/73/04/58/1028730458.db2.gz XHHDXFWIIIJXII-MRXNPFEDSA-N 1 0 311.385 3.678 20 5 DHBDRO CCOC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000566836327 1028789026 /nfs/dbraw/zinc/78/90/26/1028789026.db2.gz RVXPRXFOOJWDKT-SJORKVTESA-N 1 0 306.406 3.623 20 5 DHBDRO CCn1ccnc1[C@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449563761 1028805781 /nfs/dbraw/zinc/80/57/81/1028805781.db2.gz YGPFWIRFEDIBSE-ZVHGMHCTSA-N 1 0 314.389 3.565 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@H](c3cccs3)C2)c1 ZINC000449618298 1028853111 /nfs/dbraw/zinc/85/31/11/1028853111.db2.gz AWBDWEVOCXYGDG-HIFRSBDPSA-N 1 0 318.398 3.666 20 5 DHBDRO CCC[C@@H]([NH2+]CCOCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000567555043 1028915940 /nfs/dbraw/zinc/91/59/40/1028915940.db2.gz KFTJCMFXFLDHCN-QGZVFWFLSA-N 1 0 306.406 3.842 20 5 DHBDRO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000568139613 1029013981 /nfs/dbraw/zinc/01/39/81/1029013981.db2.gz JQELOGGYSLWEHU-RVDMUPIBSA-N 1 0 311.385 3.915 20 5 DHBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186829360 1029468644 /nfs/dbraw/zinc/46/86/44/1029468644.db2.gz KDRJZVSMHXDODO-JQFCIGGWSA-N 1 0 306.406 3.839 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000450597482 1029568351 /nfs/dbraw/zinc/56/83/51/1029568351.db2.gz HVBHVTXIOALXEZ-LBPRGKRZSA-N 1 0 310.344 3.995 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000821331860 1029826999 /nfs/dbraw/zinc/82/69/99/1029826999.db2.gz GJVYOSTYFOPGOP-CYBMUJFWSA-N 1 0 315.348 3.509 20 5 DHBDRO COc1ccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000468639047 1029985672 /nfs/dbraw/zinc/98/56/72/1029985672.db2.gz RDPJUEXNZDBNJF-GXDHUFHOSA-N 1 0 312.369 3.797 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2ccc(C(F)F)nc2)cc1[N+](=O)[O-] ZINC000865787548 1030025078 /nfs/dbraw/zinc/02/50/78/1030025078.db2.gz PVABHCBLYAKVPR-UHFFFAOYSA-N 1 0 307.300 3.526 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000924796325 1030190928 /nfs/dbraw/zinc/19/09/28/1030190928.db2.gz BKOKBMXOFCDLEG-IUODEOHRSA-N 1 0 315.373 3.800 20 5 DHBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866339165 1030240811 /nfs/dbraw/zinc/24/08/11/1030240811.db2.gz FTLRFKBSBZAJJS-JOYOIKCWSA-N 1 0 322.302 3.986 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1 ZINC000290900346 1030245488 /nfs/dbraw/zinc/24/54/88/1030245488.db2.gz NXEIUFRLNNCLTF-KWQFWETISA-N 1 0 319.188 3.559 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC1(F)F ZINC000866367771 1030259563 /nfs/dbraw/zinc/25/95/63/1030259563.db2.gz OSFCJSXJCVBGHV-CMPLNLGQSA-N 1 0 316.323 3.690 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000866403096 1030284141 /nfs/dbraw/zinc/28/41/41/1030284141.db2.gz QPCGIFHXGCQMDK-OLZOCXBDSA-N 1 0 324.446 3.787 20 5 DHBDRO CSc1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000358070678 1030309583 /nfs/dbraw/zinc/30/95/83/1030309583.db2.gz VYIUFVUPMQQWBU-UHFFFAOYSA-N 1 0 302.399 3.949 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1ccnc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000866474740 1030313854 /nfs/dbraw/zinc/31/38/54/1030313854.db2.gz RXBHNHQAGSOBTC-OAHLLOKOSA-N 1 0 303.337 3.760 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358158184 1030350063 /nfs/dbraw/zinc/35/00/63/1030350063.db2.gz PGPMSBWEQISJEB-IRXDYDNUSA-N 1 0 318.348 3.508 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000866538371 1030357011 /nfs/dbraw/zinc/35/70/11/1030357011.db2.gz RGWDOGCIZVCSEL-XUWXXGDYSA-N 1 0 318.417 3.617 20 5 DHBDRO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000866622511 1030411977 /nfs/dbraw/zinc/41/19/77/1030411977.db2.gz NOSGOKLTYOZIBZ-CJNGLKHVSA-N 1 0 304.390 3.737 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(OC)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000358265872 1030413133 /nfs/dbraw/zinc/41/31/33/1030413133.db2.gz LHZGPDKNYFXTJO-KRWDZBQOSA-N 1 0 318.348 3.983 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824766605 1030627540 /nfs/dbraw/zinc/62/75/40/1030627540.db2.gz VVFBFQBZCDZFHZ-NSHDSACASA-N 1 0 323.607 3.922 20 5 DHBDRO C[C@@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824766171 1030627873 /nfs/dbraw/zinc/62/78/73/1030627873.db2.gz SKXPGSWHWXGOOC-AGLBCWCQSA-N 1 0 315.200 3.782 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)c2ccnn2C2CCC2)cccc1[N+](=O)[O-] ZINC000926267805 1030678773 /nfs/dbraw/zinc/67/87/73/1030678773.db2.gz ABDGBACXBOFKJE-ZDUSSCGKSA-N 1 0 314.389 3.676 20 5 DHBDRO CCC[C@@H](NC[C@H](C)[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000359021268 1030735788 /nfs/dbraw/zinc/73/57/88/1030735788.db2.gz UHGOFXXCZHIOIG-WMLDXEAASA-N 1 0 307.438 3.756 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825299425 1030767963 /nfs/dbraw/zinc/76/79/63/1030767963.db2.gz KFWMMKHEASSKFN-HUUCEWRRSA-N 1 0 312.797 3.686 20 5 DHBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[NH+](C(C)C)C(C)C)n1 ZINC000359099906 1030779637 /nfs/dbraw/zinc/77/96/37/1030779637.db2.gz PAWVOPXJOAHKHT-UHFFFAOYSA-N 1 0 308.426 3.527 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926919605 1030995166 /nfs/dbraw/zinc/99/51/66/1030995166.db2.gz PMRAFYYHBQAQFL-KBRIMQKVSA-N 1 0 304.390 3.513 20 5 DHBDRO [NH3+]CCCCCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000844200016 1030999906 /nfs/dbraw/zinc/99/99/06/1030999906.db2.gz FICGPTLYSCTHLP-UHFFFAOYSA-N 1 0 321.424 3.637 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] ZINC000359559003 1031030572 /nfs/dbraw/zinc/03/05/72/1031030572.db2.gz OYNCHYPWQOEQOH-SUMWQHHRSA-N 1 0 304.390 3.616 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCS1 ZINC000927028530 1031041461 /nfs/dbraw/zinc/04/14/61/1031041461.db2.gz AXPOCKXZTLMKCX-UHOFOFEASA-N 1 0 320.458 3.790 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927161083 1031124631 /nfs/dbraw/zinc/12/46/31/1031124631.db2.gz OOHHMNITAFIBDA-CJNGLKHVSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000192450344 1031167299 /nfs/dbraw/zinc/16/72/99/1031167299.db2.gz JSYSLBOHVQFIGX-NSHDSACASA-N 1 0 320.418 3.593 20 5 DHBDRO Cc1nc(C)c(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872033224 1031416375 /nfs/dbraw/zinc/41/63/75/1031416375.db2.gz AJYSQCBNBBUHNS-JTQLQIEISA-N 1 0 323.393 3.701 20 5 DHBDRO CSC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040513 1031426491 /nfs/dbraw/zinc/42/64/91/1031426491.db2.gz ZPOFDUNBUZRQBQ-ZJUUUORDSA-N 1 0 300.449 3.719 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000872050491 1031438391 /nfs/dbraw/zinc/43/83/91/1031438391.db2.gz BBOLJDBCLRTCTN-NWDGAFQWSA-N 1 0 324.446 3.925 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC000872052504 1031440560 /nfs/dbraw/zinc/44/05/60/1031440560.db2.gz SOKRNDKLLFNUNZ-LBPRGKRZSA-N 1 0 317.414 3.871 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CC1CCC1 ZINC000872070256 1031464379 /nfs/dbraw/zinc/46/43/79/1031464379.db2.gz YHDQOXRVCLZGLE-WCQYABFASA-N 1 0 324.446 3.518 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000872073854 1031470149 /nfs/dbraw/zinc/47/01/49/1031470149.db2.gz WBUSXUHJYXSLCN-XWCIJXRUSA-N 1 0 318.348 3.507 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074829 1031471129 /nfs/dbraw/zinc/47/11/29/1031471129.db2.gz IVUSLBIQZFJCJY-CHWSQXEVSA-N 1 0 322.380 3.734 20 5 DHBDRO COCC[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872079311 1031473835 /nfs/dbraw/zinc/47/38/35/1031473835.db2.gz LZKHDAXTLZGYEG-VXGBXAGGSA-N 1 0 312.435 3.640 20 5 DHBDRO COCC[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872079309 1031474449 /nfs/dbraw/zinc/47/44/49/1031474449.db2.gz LZKHDAXTLZGYEG-RYUDHWBXSA-N 1 0 312.435 3.640 20 5 DHBDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CCO1 ZINC000872080800 1031476220 /nfs/dbraw/zinc/47/62/20/1031476220.db2.gz SHNYOVUZQCCVKZ-YRGRVCCFSA-N 1 0 324.446 3.925 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872080537 1031476476 /nfs/dbraw/zinc/47/64/76/1031476476.db2.gz RIUYJKBPQYYFJN-NWDGAFQWSA-N 1 0 324.421 3.918 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872080538 1031476817 /nfs/dbraw/zinc/47/68/17/1031476817.db2.gz RIUYJKBPQYYFJN-RYUDHWBXSA-N 1 0 324.421 3.918 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCS[C@H]1C ZINC000872082012 1031478751 /nfs/dbraw/zinc/47/87/51/1031478751.db2.gz NHLKTHZLHZKGOZ-KWBADKCTSA-N 1 0 312.460 3.861 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086375 1031483402 /nfs/dbraw/zinc/48/34/02/1031483402.db2.gz WEKUHOGWEPXYHU-NWDGAFQWSA-N 1 0 303.337 3.583 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000872089265 1031485756 /nfs/dbraw/zinc/48/57/56/1031485756.db2.gz WCQXYQGBIRZMHH-NEPJUHHUSA-N 1 0 324.446 3.782 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000537310345 1031567809 /nfs/dbraw/zinc/56/78/09/1031567809.db2.gz HQYQNHAJQOXKGS-LXIYXOSZSA-N 1 0 312.369 3.638 20 5 DHBDRO CC1([NH+]2CCCCC2)CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000872662751 1031639303 /nfs/dbraw/zinc/63/93/03/1031639303.db2.gz CHEBHBTXCLGEQI-UHFFFAOYSA-N 1 0 309.435 3.501 20 5 DHBDRO Cc1c(C[NH2+]C[C@]2(C)CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000873131792 1031719358 /nfs/dbraw/zinc/71/93/58/1031719358.db2.gz VMTTWHYCAPLQEG-LBPRGKRZSA-N 1 0 303.189 3.577 20 5 DHBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1coc(C(C)(C)C)n1 ZINC000930439834 1031821426 /nfs/dbraw/zinc/82/14/26/1031821426.db2.gz JEKOVHNJQZQFKP-UHFFFAOYSA-N 1 0 317.389 3.555 20 5 DHBDRO COc1ccccc1C1CC([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000361268820 1031826239 /nfs/dbraw/zinc/82/62/39/1031826239.db2.gz MIUUGRPPUVYQMD-UHFFFAOYSA-N 1 0 318.398 3.701 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846109764 1031861470 /nfs/dbraw/zinc/86/14/70/1031861470.db2.gz VNDUYDDLZYKSEL-BYPUDFOVSA-N 1 0 308.328 3.729 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)o2)cc1 ZINC000846113403 1031862400 /nfs/dbraw/zinc/86/24/00/1031862400.db2.gz XUERNIRIJDAIPR-OKILXGFUSA-N 1 0 320.295 3.552 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cncs1 ZINC000897932408 1031875498 /nfs/dbraw/zinc/87/54/98/1031875498.db2.gz LUPCWKFANWLGNC-NEPJUHHUSA-N 1 0 305.403 3.723 20 5 DHBDRO CC1(C)CC2(CC([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)CO1 ZINC000897972918 1031885676 /nfs/dbraw/zinc/88/56/76/1031885676.db2.gz JKDMOODNTQJPLS-UHFFFAOYSA-N 1 0 324.808 3.686 20 5 DHBDRO C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846182758 1031917090 /nfs/dbraw/zinc/91/70/90/1031917090.db2.gz CSUCBLVGTUGKED-QCZZGDTMSA-N 1 0 315.776 3.532 20 5 DHBDRO CC1(C)CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777956813 1032043490 /nfs/dbraw/zinc/04/34/90/1032043490.db2.gz QBDBRXIPOIZIRD-UHFFFAOYSA-N 1 0 314.389 3.538 20 5 DHBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957505 1032044367 /nfs/dbraw/zinc/04/43/67/1032044367.db2.gz RITQDLCOJHQUAV-CJNGLKHVSA-N 1 0 314.389 3.536 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000877502111 1033327904 /nfs/dbraw/zinc/32/79/04/1033327904.db2.gz YOSLHFHTDDYVKW-HNNXBMFYSA-N 1 0 311.385 3.596 20 5 DHBDRO CCC[C@@H]1CCCC[C@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877575575 1033366505 /nfs/dbraw/zinc/36/65/05/1033366505.db2.gz YHUAAWQKYBKRLX-QVOMUQBLSA-N 1 0 320.437 3.691 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000877603632 1033374511 /nfs/dbraw/zinc/37/45/11/1033374511.db2.gz RKUKFBMKZGJUDQ-MAUKXSAKSA-N 1 0 318.417 3.603 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)CC2 ZINC001172897185 1033435865 /nfs/dbraw/zinc/43/58/65/1033435865.db2.gz XXAIAGXDKVGXNQ-WFASDCNBSA-N 1 0 324.371 3.867 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC13CCCC3)CC2 ZINC001172902860 1033437271 /nfs/dbraw/zinc/43/72/71/1033437271.db2.gz MOHQXQOESXTORT-DOTOQJQBSA-N 1 0 300.402 3.765 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC(F)(F)CC1)CC2 ZINC001172907698 1033441270 /nfs/dbraw/zinc/44/12/70/1033441270.db2.gz HQSYPYZTDKKNEK-HNNXBMFYSA-N 1 0 324.371 3.963 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1cccs1)CC2 ZINC001172896070 1033462664 /nfs/dbraw/zinc/46/26/64/1033462664.db2.gz LHQNQMQVYZTZNA-OAHLLOKOSA-N 1 0 316.426 3.736 20 5 DHBDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000877813023 1033463125 /nfs/dbraw/zinc/46/31/25/1033463125.db2.gz IHHJLORVIUKKDR-AWEZNQCLSA-N 1 0 317.414 3.658 20 5 DHBDRO CC(C)[N@H+](CC1CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172917705 1033464063 /nfs/dbraw/zinc/46/40/63/1033464063.db2.gz WNCUWDFOVUJVDC-QGZVFWFLSA-N 1 0 302.418 3.963 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H](C(F)F)C1)CC2 ZINC001172916100 1033464387 /nfs/dbraw/zinc/46/43/87/1033464387.db2.gz QQGCRXDVSDRBPB-HUUCEWRRSA-N 1 0 324.371 3.819 20 5 DHBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H](C)C1 ZINC001172914827 1033464851 /nfs/dbraw/zinc/46/48/51/1033464851.db2.gz JOCQUUTUIOCQJG-CKEIUWERSA-N 1 0 302.418 3.963 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC(CF)CC1)CC2 ZINC001172915095 1033464944 /nfs/dbraw/zinc/46/49/44/1033464944.db2.gz LFFFYXLXNOZYDN-INIZCTEOSA-N 1 0 306.381 3.524 20 5 DHBDRO CC(C)[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922634 1033469867 /nfs/dbraw/zinc/46/98/67/1033469867.db2.gz ZIZJOKBTVUSWIQ-WMZOPIPTSA-N 1 0 302.418 3.963 20 5 DHBDRO C[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1(F)F ZINC001172909723 1033483043 /nfs/dbraw/zinc/48/30/43/1033483043.db2.gz VFHYIQSCOHAMFA-WFASDCNBSA-N 1 0 324.371 3.819 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](c2cnn(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000927069564 1033508945 /nfs/dbraw/zinc/50/89/45/1033508945.db2.gz WWWIVPANBVEALJ-SUMWQHHRSA-N 1 0 316.405 3.685 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000152618292 1033530961 /nfs/dbraw/zinc/53/09/61/1033530961.db2.gz LVWDRNFLDJFOAD-CHWSQXEVSA-N 1 0 315.373 3.800 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(C)CCCC2)c1F ZINC001173175649 1033580014 /nfs/dbraw/zinc/58/00/14/1033580014.db2.gz QJKROSGEUWQCTQ-LBPRGKRZSA-N 1 0 324.396 3.843 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCCCCC2)c1F ZINC001173181283 1033580166 /nfs/dbraw/zinc/58/01/66/1033580166.db2.gz NVDIQZNCDWHZHP-LBPRGKRZSA-N 1 0 310.369 3.550 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC[C@@H](C)C2)c1F ZINC001173181791 1033581267 /nfs/dbraw/zinc/58/12/67/1033581267.db2.gz PVANRUZOZKPSFH-CHWSQXEVSA-N 1 0 324.396 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC(C)(C)C)c1F ZINC001173175799 1033581805 /nfs/dbraw/zinc/58/18/05/1033581805.db2.gz SUSIMSVZRSMSDI-NSHDSACASA-N 1 0 312.385 3.699 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C)C[C@H]2C)c1F ZINC001173189891 1033583773 /nfs/dbraw/zinc/58/37/73/1033583773.db2.gz OICIJNPSJOJHKY-UPJWGTAASA-N 1 0 324.396 3.794 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H]2C(C)C)c1F ZINC001173193143 1033587181 /nfs/dbraw/zinc/58/71/81/1033587181.db2.gz QRSPXWGLZCHHAT-JSGCOSHPSA-N 1 0 324.396 3.794 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(Cl)cc1 ZINC001173217480 1033598032 /nfs/dbraw/zinc/59/80/32/1033598032.db2.gz VJHZISCDWUOOBA-LBPRGKRZSA-N 1 0 304.777 3.969 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001173216514 1033598090 /nfs/dbraw/zinc/59/80/90/1033598090.db2.gz LONQZYFJGQOFNA-NSHDSACASA-N 1 0 306.312 3.594 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC001173220232 1033600240 /nfs/dbraw/zinc/60/02/40/1033600240.db2.gz WCWPRENBHVNUCH-XIKOKIGWSA-N 1 0 314.360 3.942 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)cnc1Cl ZINC001173220492 1033600395 /nfs/dbraw/zinc/60/03/95/1033600395.db2.gz FKTNVHXPZHTDAY-JTQLQIEISA-N 1 0 323.755 3.503 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1Cc2ccccc2C1 ZINC001173223651 1033602515 /nfs/dbraw/zinc/60/25/15/1033602515.db2.gz JYFBRLISAFVXDG-CQSZACIVSA-N 1 0 310.397 3.530 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1c(F)cccc1F ZINC001173221370 1033604068 /nfs/dbraw/zinc/60/40/68/1033604068.db2.gz MOMUTLLNYDAWSS-LBPRGKRZSA-N 1 0 320.339 3.636 20 5 DHBDRO Cc1cc([C@@H]2CCC[N@H+]2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173229213 1033605068 /nfs/dbraw/zinc/60/50/68/1033605068.db2.gz RPZJNGSXEIUDDN-PXAZEXFGSA-N 1 0 315.373 3.659 20 5 DHBDRO Cc1cc2c(cn1)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173226301 1033605527 /nfs/dbraw/zinc/60/55/27/1033605527.db2.gz XJBSRMOMNPOGLK-FZKQIMNGSA-N 1 0 311.385 3.506 20 5 DHBDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001173230643 1033606392 /nfs/dbraw/zinc/60/63/92/1033606392.db2.gz ZGLGRZCOAQDTQG-RDTXWAMCSA-N 1 0 313.401 3.908 20 5 DHBDRO CC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173231982 1033607794 /nfs/dbraw/zinc/60/77/94/1033607794.db2.gz BVJLROPWZVKMAY-CYBMUJFWSA-N 1 0 312.369 3.518 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001173233250 1033608588 /nfs/dbraw/zinc/60/85/88/1033608588.db2.gz HRQIKUQUJJRHPT-SCLBCKFNSA-N 1 0 311.385 3.662 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2ccc(C[NH3+])cc21 ZINC001173213257 1033614764 /nfs/dbraw/zinc/61/47/64/1033614764.db2.gz HJJIHXAVWLYSBA-CYBMUJFWSA-N 1 0 309.369 3.812 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2ncccc12 ZINC001173214710 1033616778 /nfs/dbraw/zinc/61/67/78/1033616778.db2.gz FFKJVOBHDRSVDJ-CQSZACIVSA-N 1 0 321.380 3.864 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000878371695 1033678702 /nfs/dbraw/zinc/67/87/02/1033678702.db2.gz OKZKMULQQUTGOF-UKRRQHHQSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000878614935 1033771797 /nfs/dbraw/zinc/77/17/97/1033771797.db2.gz SYWPMFJOLKMHMS-QGZVFWFLSA-N 1 0 311.385 3.678 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000878659541 1033788580 /nfs/dbraw/zinc/78/85/80/1033788580.db2.gz DOYGAAMWCCVJHD-JSGCOSHPSA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1c([C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000479885827 1033947748 /nfs/dbraw/zinc/94/77/48/1033947748.db2.gz PGTGYGCEPNOWRC-ZBFHGGJFSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1c([C@@H](C)NCC2([NH+](C)C)CCCCC2)cccc1[N+](=O)[O-] ZINC000480087778 1034057371 /nfs/dbraw/zinc/05/73/71/1034057371.db2.gz YQVVWPYEOMVYJD-OAHLLOKOSA-N 1 0 319.449 3.818 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667227 1034080516 /nfs/dbraw/zinc/08/05/16/1034080516.db2.gz BSNLBSBTELKKPH-VXGBXAGGSA-N 1 0 318.270 3.721 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000480211569 1034136182 /nfs/dbraw/zinc/13/61/82/1034136182.db2.gz XQTCQNBAIFKXCV-SNVBAGLBSA-N 1 0 320.311 3.814 20 5 DHBDRO Cc1c(C[NH2+]Cc2cc3c(cccc3F)[nH]2)cccc1[N+](=O)[O-] ZINC000480460344 1034261161 /nfs/dbraw/zinc/26/11/61/1034261161.db2.gz KEGRCMILGHZDRW-UHFFFAOYSA-N 1 0 313.332 3.813 20 5 DHBDRO CC(C)[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000179158032 1034288631 /nfs/dbraw/zinc/28/86/31/1034288631.db2.gz DQOQXZOEWWFFSI-UHFFFAOYSA-N 1 0 301.346 3.623 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000480619834 1034355224 /nfs/dbraw/zinc/35/52/24/1034355224.db2.gz BHYAQNAHDNOUKT-BPUTZDHNSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C2([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000927160555 1034379554 /nfs/dbraw/zinc/37/95/54/1034379554.db2.gz CRPIHKYHLHWGMB-XJKSGUPXSA-N 1 0 304.390 3.656 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600213445 1034809366 /nfs/dbraw/zinc/80/93/66/1034809366.db2.gz FSTCMECIOWSGJD-MAVJXHJTSA-N 1 0 324.380 3.803 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000600213447 1034809547 /nfs/dbraw/zinc/80/95/47/1034809547.db2.gz FSTCMECIOWSGJD-RCFWFJCLSA-N 1 0 324.380 3.803 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCO[C@H](C3CC3)C1)CCC2 ZINC000193291621 1034839326 /nfs/dbraw/zinc/83/93/26/1034839326.db2.gz CEWBIVREJRSYPX-JLSDUUJJSA-N 1 0 316.401 3.519 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000481976597 1035039815 /nfs/dbraw/zinc/03/98/15/1035039815.db2.gz ZYVGDHXZXASOHM-ZBFHGGJFSA-N 1 0 319.449 3.674 20 5 DHBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001175568630 1035045597 /nfs/dbraw/zinc/04/55/97/1035045597.db2.gz COFZCDFQPPDCHM-UHFFFAOYSA-N 1 0 314.813 3.668 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001175688273 1035084516 /nfs/dbraw/zinc/08/45/16/1035084516.db2.gz OJAFLUPMFKTPJQ-MRXNPFEDSA-N 1 0 318.417 3.624 20 5 DHBDRO C[C@@H](C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC001175982324 1035173676 /nfs/dbraw/zinc/17/36/76/1035173676.db2.gz FOHFHENIAMQZDN-NSHDSACASA-N 1 0 304.394 3.585 20 5 DHBDRO C[C@H](OCCC[N+](C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC001224620829 1035180462 /nfs/dbraw/zinc/18/04/62/1035180462.db2.gz FRHOKIGNDVZOJK-LBPRGKRZSA-N 1 0 306.348 3.759 20 5 DHBDRO CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000482954619 1035205755 /nfs/dbraw/zinc/20/57/55/1035205755.db2.gz FDRVNKQHJLKRDX-GDBMZVCRSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@@H](COCC1CCCCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001176335780 1035242400 /nfs/dbraw/zinc/24/24/00/1035242400.db2.gz PYNFYQBJNHQSKL-HNNXBMFYSA-N 1 0 320.433 3.712 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCC[N@H+](CC2CC2)C2CCC2)cc1 ZINC000483303335 1035254928 /nfs/dbraw/zinc/25/49/28/1035254928.db2.gz MDOWNCKEVOWQBU-UHFFFAOYSA-N 1 0 304.390 3.628 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000903322478 1035298495 /nfs/dbraw/zinc/29/84/95/1035298495.db2.gz DKJMOAIFNZDVNL-VNSJNIRKSA-N 1 0 318.417 3.902 20 5 DHBDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001176657007 1035316323 /nfs/dbraw/zinc/31/63/23/1035316323.db2.gz MXUQCFQVSJGABW-INIZCTEOSA-N 1 0 311.385 3.758 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(Cl)c(F)c2)cc1 ZINC001177683530 1035386790 /nfs/dbraw/zinc/38/67/90/1035386790.db2.gz IHXHEIISVRRGAV-UHFFFAOYSA-N 1 0 324.739 3.556 20 5 DHBDRO CC[C@@H](C)CC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001179104835 1035465410 /nfs/dbraw/zinc/46/54/10/1035465410.db2.gz DQOAZUQGWCUBBS-SNVBAGLBSA-N 1 0 315.211 3.883 20 5 DHBDRO CC(C)CC[C@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001179152928 1035467124 /nfs/dbraw/zinc/46/71/24/1035467124.db2.gz FJAAPTFFKLWEHP-OAHLLOKOSA-N 1 0 308.422 3.605 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC[C@H](O)C2CCCC2)cc1[N+](=O)[O-] ZINC001179401725 1035475979 /nfs/dbraw/zinc/47/59/79/1035475979.db2.gz JDGSDEHBOKKKDX-SFHVURJKSA-N 1 0 320.433 3.749 20 5 DHBDRO CCCC[C@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001193079964 1035553796 /nfs/dbraw/zinc/55/37/96/1035553796.db2.gz AJAAYIVLKGCWOM-WMLDXEAASA-N 1 0 306.406 3.922 20 5 DHBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)C1(C)C ZINC001179962936 1035560617 /nfs/dbraw/zinc/56/06/17/1035560617.db2.gz UPDWRBTUXOVUOX-WMZOPIPTSA-N 1 0 320.433 3.847 20 5 DHBDRO Cc1cc(NC[C@@H]2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000485400738 1035597184 /nfs/dbraw/zinc/59/71/84/1035597184.db2.gz CXOJRYALLZBUMM-LLVKDONJSA-N 1 0 321.327 3.721 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2SCCc3ccccc32)cc1 ZINC000539531097 1035770623 /nfs/dbraw/zinc/77/06/23/1035770623.db2.gz NCZYVJNJFOKZIO-KRWDZBQOSA-N 1 0 314.410 3.715 20 5 DHBDRO CSCCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001181154677 1035852568 /nfs/dbraw/zinc/85/25/68/1035852568.db2.gz SSAMGHHIEQMOMX-UHFFFAOYSA-N 1 0 322.352 3.799 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000595044478 1035866778 /nfs/dbraw/zinc/86/67/78/1035866778.db2.gz JDMXLCMTCNDEGN-SGMGOOAPSA-N 1 0 322.405 3.600 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000152911843 1036026622 /nfs/dbraw/zinc/02/66/22/1036026622.db2.gz WXUAQOKSOHRWMV-KRWDZBQOSA-N 1 0 304.390 3.518 20 5 DHBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000773961618 1036071548 /nfs/dbraw/zinc/07/15/48/1036071548.db2.gz SOHKMDRUDHLXRH-MRXNPFEDSA-N 1 0 310.369 3.515 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2[nH]1 ZINC000775625201 1036087183 /nfs/dbraw/zinc/08/71/83/1036087183.db2.gz BAGOSRBAAPLFSF-CYBMUJFWSA-N 1 0 309.369 3.969 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000088727352 1036171161 /nfs/dbraw/zinc/17/11/61/1036171161.db2.gz VJWVXBFMHSDBQK-UHFFFAOYSA-N 1 0 303.406 3.722 20 5 DHBDRO C[C@H](C[N+](C)(C)C)Oc1cc2ccoc2c(Br)c1 ZINC001234639013 1036205396 /nfs/dbraw/zinc/20/53/96/1036205396.db2.gz SFVCFSKSSTWMPW-SNVBAGLBSA-N 1 0 313.215 3.669 20 5 DHBDRO CC(C)[N@H+](C/C=C/c1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000495079484 1036228995 /nfs/dbraw/zinc/22/89/95/1036228995.db2.gz NWWDXXKYTQIOKP-ONEGZZNKSA-N 1 0 311.385 3.914 20 5 DHBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000774520035 1036394250 /nfs/dbraw/zinc/39/42/50/1036394250.db2.gz YGHDFOMULAJOAR-HZSPNIEDSA-N 1 0 321.396 3.576 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C2CCCCC2)C1 ZINC000541717947 1036410205 /nfs/dbraw/zinc/41/02/05/1036410205.db2.gz KJASUFWORMZBPY-KDOFPFPSSA-N 1 0 318.417 3.937 20 5 DHBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000271851047 1036577248 /nfs/dbraw/zinc/57/72/48/1036577248.db2.gz XPFAYEAYTLYHQH-SJCJKPOMSA-N 1 0 312.369 3.942 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCCC3CC3)CC2)cc1 ZINC001183345493 1036579327 /nfs/dbraw/zinc/57/93/27/1036579327.db2.gz KTYGVUYAEGCFCE-UHFFFAOYSA-N 1 0 317.433 3.734 20 5 DHBDRO CC(C)C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1 ZINC000774635866 1036599262 /nfs/dbraw/zinc/59/92/62/1036599262.db2.gz SEYYFIDQZRYAPB-UHFFFAOYSA-N 1 0 322.796 3.676 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)c2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC001197231034 1036715154 /nfs/dbraw/zinc/71/51/54/1036715154.db2.gz TUXOTMWHGPNCEU-LBPRGKRZSA-N 1 0 311.341 3.895 20 5 DHBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301060623 1036730783 /nfs/dbraw/zinc/73/07/83/1036730783.db2.gz RBRZMROHHCLXLH-NSHDSACASA-N 1 0 317.311 3.510 20 5 DHBDRO C[C@@H]1c2sccc2CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC001197431167 1036775577 /nfs/dbraw/zinc/77/55/77/1036775577.db2.gz CRYYTVIGMUHISA-SNVBAGLBSA-N 1 0 306.362 3.915 20 5 DHBDRO CN(C)c1cc(COc2ccc([N+](=O)[O-])c3ccccc23)ccn1 ZINC000762478361 1036785282 /nfs/dbraw/zinc/78/52/82/1036785282.db2.gz GIMUDSIDVZWEFQ-UHFFFAOYSA-N 1 0 323.352 3.788 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCOCC1 ZINC000271974001 1036814167 /nfs/dbraw/zinc/81/41/67/1036814167.db2.gz NPEZGZMENZTIPD-KGLIPLIRSA-N 1 0 324.446 3.624 20 5 DHBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCC[C@@H]1C ZINC000487967833 1036887330 /nfs/dbraw/zinc/88/73/30/1036887330.db2.gz CAWMKWPJMPMOCK-BBRMVZONSA-N 1 0 306.406 3.540 20 5 DHBDRO CC(C)C[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000272036018 1036902853 /nfs/dbraw/zinc/90/28/53/1036902853.db2.gz VETIGQIWFYLOKX-PRPGUUAMSA-N 1 0 318.417 3.791 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000492626169 1036948545 /nfs/dbraw/zinc/94/85/45/1036948545.db2.gz ADUDZTSSWMVBJP-CABCVRRESA-N 1 0 304.390 3.758 20 5 DHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC001185098252 1037025437 /nfs/dbraw/zinc/02/54/37/1037025437.db2.gz KISLLCCZTMOWBI-CQSZACIVSA-N 1 0 309.385 3.800 20 5 DHBDRO CCC(CC)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000774834128 1037037766 /nfs/dbraw/zinc/03/77/66/1037037766.db2.gz BHCAQFIKPDHGSA-UHFFFAOYSA-N 1 0 307.350 3.656 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000316293181 1037083520 /nfs/dbraw/zinc/08/35/20/1037083520.db2.gz KZPDMCSHBJAQHM-CQSZACIVSA-N 1 0 306.406 3.903 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3)CC2)c1 ZINC001198705824 1037114836 /nfs/dbraw/zinc/11/48/36/1037114836.db2.gz MLLQPZIWELQRRT-GOSISDBHSA-N 1 0 312.369 3.558 20 5 DHBDRO CC[NH+]1CCC(CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001185527331 1037170939 /nfs/dbraw/zinc/17/09/39/1037170939.db2.gz LOJKXMATEMLXPV-UHFFFAOYSA-N 1 0 311.813 3.782 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000194083603 1037364334 /nfs/dbraw/zinc/36/43/34/1037364334.db2.gz RODAIFGCVHUDSA-UHFFFAOYSA-N 1 0 309.797 3.535 20 5 DHBDRO CC[C@@H](C)C[N@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000489353376 1037370249 /nfs/dbraw/zinc/37/02/49/1037370249.db2.gz GXLFBDGEEKHZCT-TZMCWYRMSA-N 1 0 321.421 3.598 20 5 DHBDRO COC[C@@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)OC ZINC000781414779 1037421036 /nfs/dbraw/zinc/42/10/36/1037421036.db2.gz CHZMNLLZDHOICI-QGZVFWFLSA-N 1 0 309.409 3.744 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000387296366 1037449039 /nfs/dbraw/zinc/44/90/39/1037449039.db2.gz CEZJUNBZTAPLHF-HNNXBMFYSA-N 1 0 318.398 3.702 20 5 DHBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC001187024425 1037547075 /nfs/dbraw/zinc/54/70/75/1037547075.db2.gz DSQKHJXXPIWWFC-ZIAGYGMSSA-N 1 0 309.797 3.533 20 5 DHBDRO CC(C)OC1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000090771547 1037594771 /nfs/dbraw/zinc/59/47/71/1037594771.db2.gz UUFGMNOTFGCAJU-KTAKPFMOSA-N 1 0 306.406 3.982 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000494018064 1037622216 /nfs/dbraw/zinc/62/22/16/1037622216.db2.gz BQEAQJKWTGIKOD-GRTSSRMGSA-N 1 0 306.406 3.900 20 5 DHBDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000776174155 1037677892 /nfs/dbraw/zinc/67/78/92/1037677892.db2.gz BEBBMKZYANLXBV-LLVKDONJSA-N 1 0 320.776 3.675 20 5 DHBDRO CC[C@H](C)[C@H](C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154010930 1037767718 /nfs/dbraw/zinc/76/77/18/1037767718.db2.gz HLPGKZISNNWETR-DCGLDWPTSA-N 1 0 306.406 3.527 20 5 DHBDRO CCC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000122841160 1037811188 /nfs/dbraw/zinc/81/11/88/1037811188.db2.gz SMYFPTYSXFNEJS-SFHVURJKSA-N 1 0 317.433 3.652 20 5 DHBDRO CC(C)CCOCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490798911 1037814955 /nfs/dbraw/zinc/81/49/55/1037814955.db2.gz CRDSLRPPSNZUDJ-UHFFFAOYSA-N 1 0 306.406 3.622 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc3c(c2)CCCC3)c1 ZINC001201822244 1037910311 /nfs/dbraw/zinc/91/03/11/1037910311.db2.gz HCOQPFYPQHUDMO-UHFFFAOYSA-N 1 0 310.397 3.806 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc2cnccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000324251586 1037955055 /nfs/dbraw/zinc/95/50/55/1037955055.db2.gz HXHWOLAJJYFUBX-ZDUSSCGKSA-N 1 0 307.353 3.994 20 5 DHBDRO CSC(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154215949 1038010439 /nfs/dbraw/zinc/01/04/39/1038010439.db2.gz JALDKHSAIHYQPV-CQSZACIVSA-N 1 0 308.447 3.647 20 5 DHBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000609195444 1038072530 /nfs/dbraw/zinc/07/25/30/1038072530.db2.gz VRYGITVMAFQRJG-MRXNPFEDSA-N 1 0 306.406 3.874 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1COc2ccccc2C1 ZINC000164319986 1038151665 /nfs/dbraw/zinc/15/16/65/1038151665.db2.gz KTQJTCDDJWNLFP-UKRRQHHQSA-N 1 0 312.369 3.558 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000164537154 1038205980 /nfs/dbraw/zinc/20/59/80/1038205980.db2.gz PDUVHFKJXHGTLO-ZDUSSCGKSA-N 1 0 321.421 3.598 20 5 DHBDRO CC[C@@H](C)[NH2+][C@@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000588067104 1038224261 /nfs/dbraw/zinc/22/42/61/1038224261.db2.gz TXZYQDVJOGTZHZ-MNOVXSKESA-N 1 0 309.391 3.791 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000572015839 1038320573 /nfs/dbraw/zinc/32/05/73/1038320573.db2.gz QIEYYSWYXVWAKY-CJNGLKHVSA-N 1 0 316.401 3.521 20 5 DHBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1sccc1[N+](=O)[O-] ZINC000588858618 1038389674 /nfs/dbraw/zinc/38/96/74/1038389674.db2.gz LZARTDFJACYERA-GFCCVEGCSA-N 1 0 305.403 3.589 20 5 DHBDRO Cc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000588933610 1038409228 /nfs/dbraw/zinc/40/92/28/1038409228.db2.gz CULZNAOGDJGSBV-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2cccnc2)CC1 ZINC000589196030 1038446934 /nfs/dbraw/zinc/44/69/34/1038446934.db2.gz BDMWCBONMTZGED-DAXSKMNVSA-N 1 0 323.396 3.883 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000589200248 1038449127 /nfs/dbraw/zinc/44/91/27/1038449127.db2.gz YAOKVPOMRWAKTB-JKSUJKDBSA-N 1 0 318.417 3.542 20 5 DHBDRO CC1(C)CCC[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000572791314 1038501452 /nfs/dbraw/zinc/50/14/52/1038501452.db2.gz NBOUUVARNLNFOL-AWEZNQCLSA-N 1 0 320.437 3.645 20 5 DHBDRO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000080468490 1038508207 /nfs/dbraw/zinc/50/82/07/1038508207.db2.gz SRIHKYUOONKRKE-BBRMVZONSA-N 1 0 307.438 3.612 20 5 DHBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001191899509 1038564686 /nfs/dbraw/zinc/56/46/86/1038564686.db2.gz LFLSIMPTJGIVGF-AWEZNQCLSA-N 1 0 321.377 3.904 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000590601876 1038676476 /nfs/dbraw/zinc/67/64/76/1038676476.db2.gz SHBPDMILCXDEBY-MRXNPFEDSA-N 1 0 311.385 3.678 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000775550223 1038704373 /nfs/dbraw/zinc/70/43/73/1038704373.db2.gz VYTHDEJSCZTCRU-MWLCHTKSSA-N 1 0 303.189 3.748 20 5 DHBDRO CCC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OCC ZINC000598989517 1038965198 /nfs/dbraw/zinc/96/51/98/1038965198.db2.gz KKVBAKQDCNTSLG-ZDUSSCGKSA-N 1 0 300.786 3.543 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000598989926 1038969098 /nfs/dbraw/zinc/96/90/98/1038969098.db2.gz WDXRGWISLTWCIE-USXIJHARSA-N 1 0 314.772 3.676 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccccc2CC(F)(F)F)c1 ZINC000599014543 1038997696 /nfs/dbraw/zinc/99/76/96/1038997696.db2.gz BNYAMNWWWMTFER-UHFFFAOYSA-N 1 0 324.302 3.989 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599065718 1039023134 /nfs/dbraw/zinc/02/31/34/1039023134.db2.gz PWZYYUYQJMSBEL-KDOFPFPSSA-N 1 0 317.433 3.652 20 5 DHBDRO Cc1ncccc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000599072736 1039029795 /nfs/dbraw/zinc/02/97/95/1039029795.db2.gz GTSNONISHAXWAV-KRWDZBQOSA-N 1 0 311.385 3.810 20 5 DHBDRO CCC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085422 1039035109 /nfs/dbraw/zinc/03/51/09/1039035109.db2.gz QAVJZBXXXIEUJW-PVAVHDDUSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@H]([NH2+]CC1COC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000599084107 1039036185 /nfs/dbraw/zinc/03/61/85/1039036185.db2.gz ZWNXOVOBRXEHTL-NSHDSACASA-N 1 0 318.398 3.620 20 5 DHBDRO CCC[C@@H]([NH2+]CCC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000593718413 1039100322 /nfs/dbraw/zinc/10/03/22/1039100322.db2.gz GWBXCXYHGXEDDO-MRXNPFEDSA-N 1 0 306.406 3.578 20 5 DHBDRO COc1ccccc1C1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000592374264 1039167840 /nfs/dbraw/zinc/16/78/40/1039167840.db2.gz IYUFMOTWKMYJJT-VURMDHGXSA-N 1 0 324.380 3.896 20 5 DHBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000603838253 1039170795 /nfs/dbraw/zinc/17/07/95/1039170795.db2.gz RFYZBEILJPMMOI-UHFFFAOYSA-N 1 0 314.385 3.886 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592380660 1039184671 /nfs/dbraw/zinc/18/46/71/1039184671.db2.gz OJMNQEQMMALFDO-NHYWBVRUSA-N 1 0 318.398 3.838 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000592398760 1039427102 /nfs/dbraw/zinc/42/71/02/1039427102.db2.gz SSWATBGHUHRDCE-MCIONIFRSA-N 1 0 306.406 3.900 20 5 DHBDRO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000592398066 1039445000 /nfs/dbraw/zinc/44/50/00/1039445000.db2.gz HVBOIYKIANGCBC-COLVAYQJSA-N 1 0 306.431 3.801 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000592401586 1039461726 /nfs/dbraw/zinc/46/17/26/1039461726.db2.gz YVNUQCQCPXDLHU-ZGKBOVNRSA-N 1 0 304.390 3.833 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000604484504 1039480955 /nfs/dbraw/zinc/48/09/55/1039480955.db2.gz YYHSXROKWLIIET-SFHVURJKSA-N 1 0 312.369 3.946 20 5 DHBDRO CC(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000604492518 1039486139 /nfs/dbraw/zinc/48/61/39/1039486139.db2.gz SDOWSCPWWLDDHO-UHFFFAOYSA-N 1 0 318.373 3.867 20 5 DHBDRO Cc1cc(NCCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000058940590 1039630123 /nfs/dbraw/zinc/63/01/23/1039630123.db2.gz AEXRZVYWARIFNM-UHFFFAOYSA-N 1 0 313.401 3.837 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594510820 1039812254 /nfs/dbraw/zinc/81/22/54/1039812254.db2.gz LGXSHXGIZVCQRH-RYQLBKOJSA-N 1 0 316.401 3.519 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026276 1039951078 /nfs/dbraw/zinc/95/10/78/1039951078.db2.gz HYUUKDDALPPGGR-SUMWQHHRSA-N 1 0 304.390 3.689 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000594955943 1039962091 /nfs/dbraw/zinc/96/20/91/1039962091.db2.gz QLEBWJWUFOLKEN-LLVKDONJSA-N 1 0 305.765 3.537 20 5 DHBDRO CCO[C@@H](CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000595010965 1039975062 /nfs/dbraw/zinc/97/50/62/1039975062.db2.gz FCSWNHVLIOXPIR-CJNGLKHVSA-N 1 0 324.421 3.705 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(F)F ZINC000594984539 1039999061 /nfs/dbraw/zinc/99/90/61/1039999061.db2.gz JBTVFBVGCLEZMD-OAHLLOKOSA-N 1 0 322.311 3.990 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cccs1 ZINC000595003090 1040014946 /nfs/dbraw/zinc/01/49/46/1040014946.db2.gz CXLLOBIKCZBEDJ-LLVKDONJSA-N 1 0 306.387 3.558 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000595007393 1040017754 /nfs/dbraw/zinc/01/77/54/1040017754.db2.gz ILSDLHRYOKAHQA-SGMGOOAPSA-N 1 0 324.446 3.928 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000595056656 1040022415 /nfs/dbraw/zinc/02/24/15/1040022415.db2.gz PAZVEVOZHVVGKW-ZFWWWQNUSA-N 1 0 306.406 3.759 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595056607 1040022769 /nfs/dbraw/zinc/02/27/69/1040022769.db2.gz NMMJRERWSMQYMQ-UKRRQHHQSA-N 1 0 306.406 3.759 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000595041580 1040044288 /nfs/dbraw/zinc/04/42/88/1040044288.db2.gz CNDPIRSCKHROQP-ZJUUUORDSA-N 1 0 302.321 3.545 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000595042217 1040046257 /nfs/dbraw/zinc/04/62/57/1040046257.db2.gz QUBJWYHCDOUQAS-WDEREUQCSA-N 1 0 314.332 3.689 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000595046911 1040052089 /nfs/dbraw/zinc/05/20/89/1040052089.db2.gz DDYHUMYHGOTLIV-XNWIYYODSA-N 1 0 318.295 3.595 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595052821 1040054618 /nfs/dbraw/zinc/05/46/18/1040054618.db2.gz AOJXKVNSXFKLEO-JKSUJKDBSA-N 1 0 305.422 3.508 20 5 DHBDRO CCSC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000595101487 1040066274 /nfs/dbraw/zinc/06/62/74/1040066274.db2.gz VKRGFKNGIDVETM-CYBMUJFWSA-N 1 0 308.447 3.791 20 5 DHBDRO COCc1csc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000595075389 1040069220 /nfs/dbraw/zinc/06/92/20/1040069220.db2.gz ANTAFGZHYOWYNB-OAHLLOKOSA-N 1 0 318.398 3.580 20 5 DHBDRO C[C@@]1(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000595080015 1040073498 /nfs/dbraw/zinc/07/34/98/1040073498.db2.gz IRBRHCQMAUDTNX-HUUCEWRRSA-N 1 0 310.344 3.997 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3ccc(O)cc31)CCC2 ZINC000595089272 1040075202 /nfs/dbraw/zinc/07/52/02/1040075202.db2.gz NBUPKCFQPFXZCD-RBUKOAKNSA-N 1 0 324.380 3.955 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000595092814 1040078990 /nfs/dbraw/zinc/07/89/90/1040078990.db2.gz XDSFYBVKFBRZTK-SJCJKPOMSA-N 1 0 312.369 3.947 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCc1ccco1 ZINC000595094294 1040079605 /nfs/dbraw/zinc/07/96/05/1040079605.db2.gz VLURNFGGZJAEHC-CQSZACIVSA-N 1 0 302.374 3.731 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCc1ccco1 ZINC000595094293 1040080056 /nfs/dbraw/zinc/08/00/56/1040080056.db2.gz VLURNFGGZJAEHC-AWEZNQCLSA-N 1 0 302.374 3.731 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000595095271 1040082139 /nfs/dbraw/zinc/08/21/39/1040082139.db2.gz VITPTGGTHATUSV-RNCFNFMXSA-N 1 0 314.332 3.545 20 5 DHBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595328612 1040100655 /nfs/dbraw/zinc/10/06/55/1040100655.db2.gz WOZAEHJDJIQOOQ-OAHLLOKOSA-N 1 0 317.389 3.653 20 5 DHBDRO Cc1noc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595324889 1040108460 /nfs/dbraw/zinc/10/84/60/1040108460.db2.gz CRBJREOPFBZFGH-IUODEOHRSA-N 1 0 315.373 3.517 20 5 DHBDRO CC1(C)CCCC[C@H]1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595479272 1040150796 /nfs/dbraw/zinc/15/07/96/1040150796.db2.gz FBIHFVAMLHNZPA-AWEZNQCLSA-N 1 0 320.437 3.645 20 5 DHBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000595497960 1040154439 /nfs/dbraw/zinc/15/44/39/1040154439.db2.gz PLJSPZQLYZHRLQ-UHFFFAOYSA-N 1 0 302.296 3.744 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000595570735 1040163282 /nfs/dbraw/zinc/16/32/82/1040163282.db2.gz YMSMDBLWPHQLRW-NWDGAFQWSA-N 1 0 320.286 3.945 20 5 DHBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000575195642 1040185395 /nfs/dbraw/zinc/18/53/95/1040185395.db2.gz PSPMCDTUIGJUOM-JMSVASOKSA-N 1 0 306.431 3.846 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2c2c(C)cccc2C)c1[N+](=O)[O-] ZINC000595599782 1040201547 /nfs/dbraw/zinc/20/15/47/1040201547.db2.gz CHIRROPTUMJAMB-CQSZACIVSA-N 1 0 315.373 3.845 20 5 DHBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595641243 1040211590 /nfs/dbraw/zinc/21/15/90/1040211590.db2.gz GEZBDYDGXLIWDH-LLVKDONJSA-N 1 0 318.377 3.559 20 5 DHBDRO CC[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000595765766 1040233804 /nfs/dbraw/zinc/23/38/04/1040233804.db2.gz NWBQFBZZCQJJBA-OAHLLOKOSA-N 1 0 301.346 3.528 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755966 1040242823 /nfs/dbraw/zinc/24/28/23/1040242823.db2.gz RZCMHGLVTAPENO-CYBMUJFWSA-N 1 0 310.369 3.565 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CCCC2=O)CC1 ZINC000595820309 1040248323 /nfs/dbraw/zinc/24/83/23/1040248323.db2.gz VBDIUVDOWRMAFV-AWEZNQCLSA-N 1 0 316.401 3.799 20 5 DHBDRO COc1cccc(C2([NH2+]Cc3ccccc3[N+](=O)[O-])CCC2)c1 ZINC000595857724 1040262143 /nfs/dbraw/zinc/26/21/43/1040262143.db2.gz RIBFLOGUGXZSOX-UHFFFAOYSA-N 1 0 312.369 3.772 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccon2)CC1 ZINC000595833772 1040270708 /nfs/dbraw/zinc/27/07/08/1040270708.db2.gz MLAPJQSLUODOCZ-GFCCVEGCSA-N 1 0 301.346 3.523 20 5 DHBDRO CC[NH+](CC)[C@H](C)CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596077582 1040299798 /nfs/dbraw/zinc/29/97/98/1040299798.db2.gz SOYPGXXECLIYLX-SNVBAGLBSA-N 1 0 301.337 3.675 20 5 DHBDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000174032422 1040501337 /nfs/dbraw/zinc/50/13/37/1040501337.db2.gz IOPHLDBOQBQRMF-LLVKDONJSA-N 1 0 300.399 3.697 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000596650449 1040539456 /nfs/dbraw/zinc/53/94/56/1040539456.db2.gz JCTATWGIFSBRKM-SJCJKPOMSA-N 1 0 311.385 3.824 20 5 DHBDRO Cc1ccc([C@H](CNc2ccsc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000608779152 1040612216 /nfs/dbraw/zinc/61/22/16/1040612216.db2.gz ZDTCWDZPENFMKA-ZDUSSCGKSA-N 1 0 321.402 3.807 20 5 DHBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000608856171 1040638871 /nfs/dbraw/zinc/63/88/71/1040638871.db2.gz ZZJGVXVZFNHWSP-LBPRGKRZSA-N 1 0 309.385 3.656 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000597222724 1040702286 /nfs/dbraw/zinc/70/22/86/1040702286.db2.gz YMVKVIQDMQWHQH-IJCAJFLPSA-N 1 0 300.402 3.694 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000594507486 1040872227 /nfs/dbraw/zinc/87/22/27/1040872227.db2.gz DJQGTXPVIOOWJG-KKXDTOCCSA-N 1 0 318.417 3.902 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000594521152 1040888140 /nfs/dbraw/zinc/88/81/40/1040888140.db2.gz SAOSXHFJQWXINV-BBRMVZONSA-N 1 0 316.401 3.664 20 5 DHBDRO CC(C)c1nc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000602532480 1041090276 /nfs/dbraw/zinc/09/02/76/1041090276.db2.gz XUBWNQALFDQHPD-UHFFFAOYSA-N 1 0 319.430 3.550 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000602560522 1041095480 /nfs/dbraw/zinc/09/54/80/1041095480.db2.gz MTIUZWHASGIYFV-UHFFFAOYSA-N 1 0 315.373 3.573 20 5 DHBDRO CC[C@@](C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000602674136 1041142204 /nfs/dbraw/zinc/14/22/04/1041142204.db2.gz FGNOBZGWDVMNBW-ZDUSSCGKSA-N 1 0 320.311 3.518 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@H]3CC=CCC3)nc2c1 ZINC000602724656 1041178359 /nfs/dbraw/zinc/17/83/59/1041178359.db2.gz JMCUOXZNMNXFBK-LBPRGKRZSA-N 1 0 301.346 3.572 20 5 DHBDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000598619158 1041361490 /nfs/dbraw/zinc/36/14/90/1041361490.db2.gz BZLHQFQKDOBSCH-QGZVFWFLSA-N 1 0 311.385 3.678 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000090527793 185300736 /nfs/dbraw/zinc/30/07/36/185300736.db2.gz FMOIEZSJIFVZGK-SJCJKPOMSA-N 1 0 316.405 3.688 20 5 DHBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090728487 185311534 /nfs/dbraw/zinc/31/15/34/185311534.db2.gz URXHDTAWWGVTFF-GHMZBOCLSA-N 1 0 303.362 3.654 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCc2ccncc2)c2cc([N+](=O)[O-])ccc21 ZINC000279229209 535367477 /nfs/dbraw/zinc/36/74/77/535367477.db2.gz ZVTGIOQTVKBNAH-KRWDZBQOSA-N 1 0 311.385 3.545 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000272129139 130001089 /nfs/dbraw/zinc/00/10/89/130001089.db2.gz VTGBUNXKZDEHRR-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000273092057 130088890 /nfs/dbraw/zinc/08/88/90/130088890.db2.gz SSEKKEOUTOBUJF-NEPJUHHUSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000273450079 130123555 /nfs/dbraw/zinc/12/35/55/130123555.db2.gz YRFIHENIWAOROL-MRXNPFEDSA-N 1 0 318.417 3.875 20 5 DHBDRO COc1ccsc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000274584575 130247440 /nfs/dbraw/zinc/24/74/40/130247440.db2.gz LYCLHVVKXPYJAF-LLVKDONJSA-N 1 0 306.387 3.558 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCOCC2)CC1 ZINC000284963540 131126089 /nfs/dbraw/zinc/12/60/89/131126089.db2.gz ZYSRTANEEHBPJO-AWEZNQCLSA-N 1 0 304.390 3.548 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285228045 131149636 /nfs/dbraw/zinc/14/96/36/131149636.db2.gz PCUUHKFLHINMCH-QFYYESIMSA-N 1 0 315.348 3.654 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCOC(C)(C)C1 ZINC000289365414 131378908 /nfs/dbraw/zinc/37/89/08/131378908.db2.gz ATMUBYBWVAHOIL-AWEZNQCLSA-N 1 0 310.369 3.513 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCC(C)(F)F)cc1[N+](=O)[O-] ZINC000297350326 132011455 /nfs/dbraw/zinc/01/14/55/132011455.db2.gz PBULCQVUYDVFCN-JTQLQIEISA-N 1 0 302.321 3.689 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000119768679 132137160 /nfs/dbraw/zinc/13/71/60/132137160.db2.gz YTGSRMJIAWHQMP-OAHLLOKOSA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000035257715 331491478 /nfs/dbraw/zinc/49/14/78/331491478.db2.gz JHGZWZLYRUZUSC-RYUDHWBXSA-N 1 0 302.296 3.806 20 5 DHBDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000077220998 331673680 /nfs/dbraw/zinc/67/36/80/331673680.db2.gz VGNZOMCCMNETQA-CQSZACIVSA-N 1 0 314.385 3.714 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000079723996 331683014 /nfs/dbraw/zinc/68/30/14/331683014.db2.gz LBVJMYWINLFQPS-NEPJUHHUSA-N 1 0 315.329 3.915 20 5 DHBDRO CCC[C@@H]([NH2+]CC1(CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090535223 331911575 /nfs/dbraw/zinc/91/15/75/331911575.db2.gz KHVGFMIHEDXJOW-MRXNPFEDSA-N 1 0 306.406 3.842 20 5 DHBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc(C)c1O ZINC000518440462 332040631 /nfs/dbraw/zinc/04/06/31/332040631.db2.gz USKAPCVRAYQLEK-UHFFFAOYSA-N 1 0 314.385 3.592 20 5 DHBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000409868350 332061927 /nfs/dbraw/zinc/06/19/27/332061927.db2.gz DEEIBHJTYOGUIF-UHFFFAOYSA-N 1 0 319.405 3.578 20 5 DHBDRO COc1cc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000559431931 332258548 /nfs/dbraw/zinc/25/85/48/332258548.db2.gz MHKLYXURHBLFSG-UONOGXRCSA-N 1 0 304.390 3.614 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000560584129 332365394 /nfs/dbraw/zinc/36/53/94/332365394.db2.gz HRPSDIQZJIBGRZ-SNVBAGLBSA-N 1 0 302.296 3.896 20 5 DHBDRO CCCCOCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168123408 332513401 /nfs/dbraw/zinc/51/34/01/332513401.db2.gz NVVFGUCDLZCFTD-UHFFFAOYSA-N 1 0 300.786 3.545 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000317910300 332552729 /nfs/dbraw/zinc/55/27/29/332552729.db2.gz KLBOSPKHOWTJNR-CABCVRRESA-N 1 0 306.406 3.908 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCc3c2cccc3F)cccc1[N+](=O)[O-] ZINC000318136504 332609614 /nfs/dbraw/zinc/60/96/14/332609614.db2.gz DPIVALBMSNTIMA-MRXNPFEDSA-N 1 0 300.333 3.819 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cccc(F)c1F ZINC000565217450 332645597 /nfs/dbraw/zinc/64/55/97/332645597.db2.gz LSQOXMTWQRMHRK-HNNXBMFYSA-N 1 0 318.323 3.693 20 5 DHBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301064464 332969647 /nfs/dbraw/zinc/96/96/47/332969647.db2.gz PIIHVHNIUDUWLP-UHFFFAOYSA-N 1 0 319.327 3.613 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000314069988 333085749 /nfs/dbraw/zinc/08/57/49/333085749.db2.gz SSYCSSRLIDMEQJ-HOCLYGCPSA-N 1 0 307.438 3.530 20 5 DHBDRO CC[C@H](NCC[NH+](C(C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314391068 333107856 /nfs/dbraw/zinc/10/78/56/333107856.db2.gz SGDFUBMLSKTCCQ-KRWDZBQOSA-N 1 0 307.438 3.754 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000314521313 333137780 /nfs/dbraw/zinc/13/77/80/333137780.db2.gz QXCADWVIACMDOV-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000318902434 333222272 /nfs/dbraw/zinc/22/22/72/333222272.db2.gz SEAOMKOZPZPTCG-LLVKDONJSA-N 1 0 315.364 3.795 20 5 DHBDRO COc1cc(NCCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000390173532 333240362 /nfs/dbraw/zinc/24/03/62/333240362.db2.gz GGHOHRRCALKWOW-UHFFFAOYSA-N 1 0 321.421 3.670 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000388327771 333267533 /nfs/dbraw/zinc/26/75/33/333267533.db2.gz CQTATNDIIIUTJT-OAUYIBNBSA-N 1 0 306.406 3.839 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000518796015 333393452 /nfs/dbraw/zinc/39/34/52/333393452.db2.gz NJGZKAVAGWZXHX-DMUMMCEESA-N 1 0 320.392 3.758 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC000319723584 333400543 /nfs/dbraw/zinc/40/05/43/333400543.db2.gz PBYZFZWVVMVAOK-INIZCTEOSA-N 1 0 304.390 3.566 20 5 DHBDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000391414971 333491193 /nfs/dbraw/zinc/49/11/93/333491193.db2.gz OFNUQDOJODQBDG-UHFFFAOYSA-N 1 0 309.369 3.685 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000125076413 333506885 /nfs/dbraw/zinc/50/68/85/333506885.db2.gz DHJNPHIHEPTOTL-CQSZACIVSA-N 1 0 314.385 3.720 20 5 DHBDRO CC[NH+](CC)CCSc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413168195 333834675 /nfs/dbraw/zinc/83/46/75/333834675.db2.gz MMAJULKDQWWFMQ-UHFFFAOYSA-N 1 0 305.403 3.577 20 5 DHBDRO C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000413169730 333834791 /nfs/dbraw/zinc/83/47/91/333834791.db2.gz YLQSAFQIAPXVRF-GFCCVEGCSA-N 1 0 316.405 3.531 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cncc(F)c1 ZINC000414153295 333904097 /nfs/dbraw/zinc/90/40/97/333904097.db2.gz ZCHUSLNYMGWJSG-GTNSWQLSSA-N 1 0 315.348 3.857 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000414238225 333917976 /nfs/dbraw/zinc/91/79/76/333917976.db2.gz XHMZHNWZCZTXGQ-NTZNESFSSA-N 1 0 310.419 3.538 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414242515 333919090 /nfs/dbraw/zinc/91/90/90/333919090.db2.gz QCEVCEJYMSMLLY-GLJUWKHASA-N 1 0 320.433 3.709 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)OCC2CC2)cccc1[N+](=O)[O-] ZINC000414253797 333926368 /nfs/dbraw/zinc/92/63/68/333926368.db2.gz DKYXNBONJTZEAS-CYBMUJFWSA-N 1 0 306.406 3.759 20 5 DHBDRO CO[C@@](C)([C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000414230721 333926639 /nfs/dbraw/zinc/92/66/39/333926639.db2.gz GOMVBKCRIKNXQG-IGNZVWTISA-N 1 0 318.417 3.765 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2F)cc1[N+](=O)[O-] ZINC000414281555 333932887 /nfs/dbraw/zinc/93/28/87/333932887.db2.gz GETQRBBCARILOO-MRVWCRGKSA-N 1 0 310.369 3.925 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000430208218 333973623 /nfs/dbraw/zinc/97/36/23/333973623.db2.gz AUYUWARSLYYMQG-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000414612634 334041042 /nfs/dbraw/zinc/04/10/42/334041042.db2.gz DTDVQUGTKQMTGN-CYBMUJFWSA-N 1 0 318.377 3.814 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414976522 334222106 /nfs/dbraw/zinc/22/21/06/334222106.db2.gz ICAXILONDJDXAV-UHFFFAOYSA-N 1 0 311.385 3.551 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000187858334 334288181 /nfs/dbraw/zinc/28/81/81/334288181.db2.gz HOOMGJVBUYTCNC-GXTWGEPZSA-N 1 0 322.405 3.602 20 5 DHBDRO C[C@H]([NH2+]CCO[C@@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000531938546 334299354 /nfs/dbraw/zinc/29/93/54/334299354.db2.gz OBFWXWWUIXZRGA-GRDNDAEWSA-N 1 0 306.406 3.841 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccs1 ZINC000049530722 334345679 /nfs/dbraw/zinc/34/56/79/334345679.db2.gz VVCJMMVKCMRDTB-CYBMUJFWSA-N 1 0 306.387 3.906 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2ccccc2)c(Cl)c1 ZINC000049963462 334359631 /nfs/dbraw/zinc/35/96/31/334359631.db2.gz MDBNJCDZASMXPW-UHFFFAOYSA-N 1 0 304.777 3.971 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1ccccc1CO)c1cccc([N+](=O)[O-])c1 ZINC000305160427 334378157 /nfs/dbraw/zinc/37/81/57/334378157.db2.gz WVTMDBRXHFTCAB-GOSISDBHSA-N 1 0 314.385 3.718 20 5 DHBDRO C[C@@H](c1cccc(F)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535245735 334381957 /nfs/dbraw/zinc/38/19/57/334381957.db2.gz DYBJWVASEQXLSD-LBPRGKRZSA-N 1 0 300.333 3.853 20 5 DHBDRO CC[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000340874725 334392195 /nfs/dbraw/zinc/39/21/95/334392195.db2.gz JBMMLUXPDQXECC-AWEZNQCLSA-N 1 0 301.346 3.624 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000341883041 334489398 /nfs/dbraw/zinc/48/93/98/334489398.db2.gz UEUSKWJDUKNGRF-ABAIWWIYSA-N 1 0 316.405 3.747 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccccn2)CC1 ZINC000366797671 334598647 /nfs/dbraw/zinc/59/86/47/334598647.db2.gz RAIHFAHLDUKJJA-CQSZACIVSA-N 1 0 311.385 3.930 20 5 DHBDRO Cc1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000417347691 334706280 /nfs/dbraw/zinc/70/62/80/334706280.db2.gz HSKVBAFXADKTJJ-SFHVURJKSA-N 1 0 311.385 3.856 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2COCc3ccccc32)cccc1[N+](=O)[O-] ZINC000417357172 334707557 /nfs/dbraw/zinc/70/75/57/334707557.db2.gz GGZLBHCEILXJSE-GUYCJALGSA-N 1 0 312.369 3.825 20 5 DHBDRO CC1CCC(O)(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000343920339 335202120 /nfs/dbraw/zinc/20/21/20/335202120.db2.gz ADPJRSYVHYLBEJ-UHFFFAOYSA-N 1 0 318.417 3.500 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1COc3ccccc31)CCC2 ZINC000343994528 335206265 /nfs/dbraw/zinc/20/62/65/335206265.db2.gz SRBXSKRPGXEGNA-RDTXWAMCSA-N 1 0 324.380 3.738 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(C)cs1 ZINC000344853147 335279960 /nfs/dbraw/zinc/27/99/60/335279960.db2.gz CGKRBLXTZANMEV-WDZFZDKYSA-N 1 0 303.387 3.553 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)c1nccs1 ZINC000344812131 335280706 /nfs/dbraw/zinc/28/07/06/335280706.db2.gz NBOHPSWLOWOJDV-LLBKUYECSA-N 1 0 317.414 3.848 20 5 DHBDRO CC[C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000345519551 335334378 /nfs/dbraw/zinc/33/43/78/335334378.db2.gz PSABWPZMJRHMMZ-QWHCGFSZSA-N 1 0 320.311 3.603 20 5 DHBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677766 338481744 /nfs/dbraw/zinc/48/17/44/338481744.db2.gz UWJGQWICKBFLMV-OCCSQVGLSA-N 1 0 316.405 3.920 20 5 DHBDRO CSCC1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000395345436 336101188 /nfs/dbraw/zinc/10/11/88/336101188.db2.gz GQXFDGXHNWUKDL-UHFFFAOYSA-N 1 0 308.447 3.915 20 5 DHBDRO Cc1ncsc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000331970598 336154719 /nfs/dbraw/zinc/15/47/19/336154719.db2.gz RBHBBUGVSRSBQG-AWEZNQCLSA-N 1 0 303.387 3.527 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540040 336223399 /nfs/dbraw/zinc/22/33/99/336223399.db2.gz GMMBQHHVSVAOKB-KGLIPLIRSA-N 1 0 324.446 3.709 20 5 DHBDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000352609240 336226753 /nfs/dbraw/zinc/22/67/53/336226753.db2.gz SALKKCBUKOQYLW-NSHDSACASA-N 1 0 300.399 3.697 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2occc2c1 ZINC000352736364 336233138 /nfs/dbraw/zinc/23/31/38/336233138.db2.gz LSEQKDPQFGJVDF-UHFFFAOYSA-N 1 0 312.325 3.639 20 5 DHBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000532531607 336254016 /nfs/dbraw/zinc/25/40/16/336254016.db2.gz UGSUWUBLQXXTCM-XGWLTEMNSA-N 1 0 306.406 3.757 20 5 DHBDRO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301060912 336287785 /nfs/dbraw/zinc/28/77/85/336287785.db2.gz DIOKBXJYELIEKC-UHFFFAOYSA-N 1 0 311.813 3.923 20 5 DHBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC000301088904 336289418 /nfs/dbraw/zinc/28/94/18/336289418.db2.gz LUFSOFQKKIGCFO-GFCCVEGCSA-N 1 0 317.414 3.515 20 5 DHBDRO CCN(CC)c1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000301115726 336290769 /nfs/dbraw/zinc/29/07/69/336290769.db2.gz UIXWXFBUUVQUMS-UHFFFAOYSA-N 1 0 318.352 3.587 20 5 DHBDRO C[NH+](C)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000301162978 336292735 /nfs/dbraw/zinc/29/27/35/336292735.db2.gz FVRPURWEKHZDRS-HNNXBMFYSA-N 1 0 321.327 3.588 20 5 DHBDRO C[NH+](C)Cc1cc(CNc2ccc([N+](=O)[O-])cc2F)ccc1F ZINC000301262655 336297430 /nfs/dbraw/zinc/29/74/30/336297430.db2.gz FSTVTZNLKWSULG-UHFFFAOYSA-N 1 0 321.327 3.547 20 5 DHBDRO COc1cc(NC[C@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301383283 336303692 /nfs/dbraw/zinc/30/36/92/336303692.db2.gz VPCMYIJJEIDUEA-MRXNPFEDSA-N 1 0 321.421 3.526 20 5 DHBDRO Cc1ccc(NC[C@@H](c2cccs2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301432183 336306509 /nfs/dbraw/zinc/30/65/09/336306509.db2.gz HJVFANLDEXWBJW-AWEZNQCLSA-N 1 0 305.403 3.680 20 5 DHBDRO C[NH+](C)[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000301800843 336330900 /nfs/dbraw/zinc/33/09/00/336330900.db2.gz SZKGUUQHJCIDKH-HNNXBMFYSA-N 1 0 321.327 3.588 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000301820322 336332206 /nfs/dbraw/zinc/33/22/06/336332206.db2.gz AZOGLEDBFXYNEN-MAUKXSAKSA-N 1 0 311.385 3.761 20 5 DHBDRO O=[N+]([O-])c1ccsc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301978221 336341054 /nfs/dbraw/zinc/34/10/54/336341054.db2.gz DYHJPVJOJXWFHZ-AWEZNQCLSA-N 1 0 317.414 3.733 20 5 DHBDRO C[C@H](CCNc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000302087203 336347817 /nfs/dbraw/zinc/34/78/17/336347817.db2.gz ADQODYRZCUJQEW-LLVKDONJSA-N 1 0 313.348 3.549 20 5 DHBDRO CC(C)(C)[NH2+]CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000302330372 336357204 /nfs/dbraw/zinc/35/72/04/336357204.db2.gz ZNTHILSWCBJOCX-UHFFFAOYSA-N 1 0 306.193 3.702 20 5 DHBDRO Cc1cccc(NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000302482817 336359803 /nfs/dbraw/zinc/35/98/03/336359803.db2.gz HDXQPFTWGZGMPM-UHFFFAOYSA-N 1 0 303.406 3.722 20 5 DHBDRO Cc1cccc(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000352895882 336369674 /nfs/dbraw/zinc/36/96/74/336369674.db2.gz FPKLDXUFDMFYAG-UHFFFAOYSA-N 1 0 319.792 3.674 20 5 DHBDRO CCC[C@@H]([NH2+]CC1(CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358296865 336622269 /nfs/dbraw/zinc/62/22/69/336622269.db2.gz KFDVRCMLZNSBRO-MRXNPFEDSA-N 1 0 306.406 3.578 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359080659 336656850 /nfs/dbraw/zinc/65/68/50/336656850.db2.gz GNYUAIXOFZMGQE-ZDUSSCGKSA-N 1 0 308.426 3.529 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000361345732 336752563 /nfs/dbraw/zinc/75/25/63/336752563.db2.gz JWXBSPHYPXXPNY-DLBZAZTESA-N 1 0 305.422 3.510 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361763973 336772067 /nfs/dbraw/zinc/77/20/67/336772067.db2.gz KBUFCZBUHXRHBA-MWDXBVQZSA-N 1 0 318.417 3.839 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C2(C3CC3)CCOCC2)cc1[N+](=O)[O-] ZINC000368760370 336851838 /nfs/dbraw/zinc/85/18/38/336851838.db2.gz FNPZQHYWVMMJFV-UHFFFAOYSA-N 1 0 318.417 3.767 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000369882198 336873543 /nfs/dbraw/zinc/87/35/43/336873543.db2.gz JKCXDEUZBCIXJZ-UGSOOPFHSA-N 1 0 312.369 3.559 20 5 DHBDRO C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000371902182 336916173 /nfs/dbraw/zinc/91/61/73/336916173.db2.gz MUFUXJCNFLILHF-CQSZACIVSA-N 1 0 318.417 3.985 20 5 DHBDRO CC[C@H]([NH2+]C[C@]1(C)CCO[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000372095400 336921915 /nfs/dbraw/zinc/92/19/15/336921915.db2.gz ODHCIVOHDRPAKG-KSZLIROESA-N 1 0 318.417 3.841 20 5 DHBDRO CO[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000582431076 336974927 /nfs/dbraw/zinc/97/49/27/336974927.db2.gz RJPRAISWPHVUEQ-FUHWJXTLSA-N 1 0 312.369 3.559 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000374329244 336987444 /nfs/dbraw/zinc/98/74/44/336987444.db2.gz JWKHEUDROCENQI-RHSMWYFYSA-N 1 0 311.385 3.806 20 5 DHBDRO Cc1ccncc1C1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375004460 337001389 /nfs/dbraw/zinc/00/13/89/337001389.db2.gz KEEBHUUHHJOQRU-UHFFFAOYSA-N 1 0 309.369 3.588 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000375238523 337006416 /nfs/dbraw/zinc/00/64/16/337006416.db2.gz RIKMZOBGOGPGAT-CABCVRRESA-N 1 0 318.417 3.855 20 5 DHBDRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375395216 337010361 /nfs/dbraw/zinc/01/03/61/337010361.db2.gz XBRYYSORHFZSSK-NVXWUHKLSA-N 1 0 314.389 3.580 20 5 DHBDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000376389886 337032452 /nfs/dbraw/zinc/03/24/52/337032452.db2.gz YKZFMFOGKPUCRN-LSDHHAIUSA-N 1 0 306.406 3.713 20 5 DHBDRO CSC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193817836 337080353 /nfs/dbraw/zinc/08/03/53/337080353.db2.gz DBCPPWPZZRJPMK-ZFWWWQNUSA-N 1 0 320.458 3.791 20 5 DHBDRO Cc1cccc2c1OC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000514665703 337143877 /nfs/dbraw/zinc/14/38/77/337143877.db2.gz KXZGPXIYKLUSIK-MPNRVQBSSA-N 1 0 324.380 3.510 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000182674152 337189336 /nfs/dbraw/zinc/18/93/36/337189336.db2.gz QSVNWUIPYKGSOI-KGLIPLIRSA-N 1 0 314.389 3.567 20 5 DHBDRO C[C@H]1C[C@H](c2cccnc2)N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000185716502 337250858 /nfs/dbraw/zinc/25/08/58/337250858.db2.gz RLASTHYLZBVYSY-SMDDNHRTSA-N 1 0 303.387 3.634 20 5 DHBDRO O=[N+]([O-])c1cc(CN2Cc3ccccc3C3(CC3)C2)cs1 ZINC000186168118 337254251 /nfs/dbraw/zinc/25/42/51/337254251.db2.gz RKCUVRMLPVZQFZ-UHFFFAOYSA-N 1 0 300.383 3.704 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000321288134 337255309 /nfs/dbraw/zinc/25/53/09/337255309.db2.gz JSGJNQJLYYHOBW-IAGOWNOFSA-N 1 0 312.369 3.639 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000188946030 337276743 /nfs/dbraw/zinc/27/67/43/337276743.db2.gz YCHNBTCJWFVTNS-KRWDZBQOSA-N 1 0 312.369 3.825 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000248727450 337566936 /nfs/dbraw/zinc/56/69/36/337566936.db2.gz NNFAIGJFRIGYQR-TWMKSMIVSA-N 1 0 316.401 3.593 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000284165923 337573399 /nfs/dbraw/zinc/57/33/99/337573399.db2.gz QJKBKEMGOFOHAB-OAHLLOKOSA-N 1 0 315.329 3.744 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000421856711 337650567 /nfs/dbraw/zinc/65/05/67/337650567.db2.gz NYUVAUBTTLTQNX-OIISXLGYSA-N 1 0 306.406 3.983 20 5 DHBDRO Cc1ccc([C@H](C)N[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422917690 337691289 /nfs/dbraw/zinc/69/12/89/337691289.db2.gz FNPHOEIDWCXDNV-JCURWCKSSA-N 1 0 311.385 3.699 20 5 DHBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000424303586 337818277 /nfs/dbraw/zinc/81/82/77/337818277.db2.gz OINMRNFBPTZPNW-BTYMGIQYSA-N 1 0 318.417 3.757 20 5 DHBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000424303588 337818288 /nfs/dbraw/zinc/81/82/88/337818288.db2.gz OINMRNFBPTZPNW-WSOGKROESA-N 1 0 318.417 3.757 20 5 DHBDRO Cc1ccccc1OCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536883397 337844330 /nfs/dbraw/zinc/84/43/30/337844330.db2.gz UFPWTHFGMSHHHQ-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO Cc1cccc(OCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000315034171 337979507 /nfs/dbraw/zinc/97/95/07/337979507.db2.gz XJPDNJPNJAEEGH-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO Cc1ccoc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000426290696 338024863 /nfs/dbraw/zinc/02/48/63/338024863.db2.gz KFACOTLAMWAENU-HNNXBMFYSA-N 1 0 300.358 3.607 20 5 DHBDRO COCC(C)(C)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000426351444 338028397 /nfs/dbraw/zinc/02/83/97/338028397.db2.gz LCKRGXOXAPENGA-HOCLYGCPSA-N 1 0 320.433 3.568 20 5 DHBDRO Cc1nc(C(C)C)oc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000428936455 338065442 /nfs/dbraw/zinc/06/54/42/338065442.db2.gz AWOWMJLAWPIEMY-UHFFFAOYSA-N 1 0 317.389 3.689 20 5 DHBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000429265820 338075243 /nfs/dbraw/zinc/07/52/43/338075243.db2.gz RHGMFHRWYYMFEY-UHFFFAOYSA-N 1 0 318.348 3.767 20 5 DHBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000429583813 338085204 /nfs/dbraw/zinc/08/52/04/338085204.db2.gz BWBKOAWUTVGRNN-MLGOLLRUSA-N 1 0 315.373 3.870 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccncc2)CC1 ZINC000429585428 338085290 /nfs/dbraw/zinc/08/52/90/338085290.db2.gz RIWMMGHFCNNSSU-AWEZNQCLSA-N 1 0 311.385 3.930 20 5 DHBDRO CSC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000430192892 338100474 /nfs/dbraw/zinc/10/04/74/338100474.db2.gz DRCSSUOYQRFSPH-BMWLXYDHSA-N 1 0 306.431 3.683 20 5 DHBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000433046842 338178217 /nfs/dbraw/zinc/17/82/17/338178217.db2.gz QPHPXSHNTALTBI-JQWIXIFHSA-N 1 0 314.332 3.817 20 5 DHBDRO COCCCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433153181 338183223 /nfs/dbraw/zinc/18/32/23/338183223.db2.gz VCZVIRSGYATGIF-MRXNPFEDSA-N 1 0 306.406 3.724 20 5 DHBDRO CCCCOCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163955 338183453 /nfs/dbraw/zinc/18/34/53/338183453.db2.gz ZBNCMQBCTXALQK-INIZCTEOSA-N 1 0 306.406 3.724 20 5 DHBDRO CO[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000433291689 338189509 /nfs/dbraw/zinc/18/95/09/338189509.db2.gz VCWYTBJIDAVQFY-HZPDHXFCSA-N 1 0 306.406 3.578 20 5 DHBDRO CC(C)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000434978173 338228242 /nfs/dbraw/zinc/22/82/42/338228242.db2.gz UOLUVMHIIIDNEH-HUUCEWRRSA-N 1 0 306.406 3.793 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c(F)c1 ZINC000435791099 338249461 /nfs/dbraw/zinc/24/94/61/338249461.db2.gz PNVCHJUFQTZLKS-SHTZXODSSA-N 1 0 300.333 3.770 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000439886447 338380141 /nfs/dbraw/zinc/38/01/41/338380141.db2.gz GNEIPZHGBJTYTN-GOEBONIOSA-N 1 0 311.385 3.842 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000439886446 338380165 /nfs/dbraw/zinc/38/01/65/338380165.db2.gz GNEIPZHGBJTYTN-GDBMZVCRSA-N 1 0 311.385 3.842 20 5 DHBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000442860987 338435637 /nfs/dbraw/zinc/43/56/37/338435637.db2.gz CSPXGPMXRXSVIX-CQSZACIVSA-N 1 0 314.385 3.974 20 5 DHBDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447528906 338554331 /nfs/dbraw/zinc/55/43/31/338554331.db2.gz JVISMZUDWMDAKG-QXSJWSMHSA-N 1 0 320.437 3.691 20 5 DHBDRO CCC(O)(CC)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447602014 338561561 /nfs/dbraw/zinc/56/15/61/338561561.db2.gz SBKVITUVGRVUTD-INIZCTEOSA-N 1 0 306.406 3.503 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOc2ccccc21 ZINC000449058987 338589314 /nfs/dbraw/zinc/58/93/14/338589314.db2.gz NQFQGFUBZXTHGI-BBRMVZONSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000449195412 338601436 /nfs/dbraw/zinc/60/14/36/338601436.db2.gz WCHYHACKXFGUOS-GOEBONIOSA-N 1 0 318.417 3.607 20 5 DHBDRO COc1ccc(C)cc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449351164 338616423 /nfs/dbraw/zinc/61/64/23/338616423.db2.gz YUORNCHELKUCNO-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO CCc1cc(CCC[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)on1 ZINC000450684790 338699046 /nfs/dbraw/zinc/69/90/46/338699046.db2.gz RZTDQMMKQDUEQE-KRWDZBQOSA-N 1 0 317.389 3.819 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](OC)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000453268943 338816509 /nfs/dbraw/zinc/81/65/09/338816509.db2.gz OXTXMGQLFRLNEP-DCGLDWPTSA-N 1 0 324.421 3.705 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000453309917 338822282 /nfs/dbraw/zinc/82/22/82/338822282.db2.gz FCANKWHRSURZQD-LSDHHAIUSA-N 1 0 318.417 3.903 20 5 DHBDRO CO[C@@](C)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000453328679 338825781 /nfs/dbraw/zinc/82/57/81/338825781.db2.gz VGYLWYUBDQAXKT-KDOFPFPSSA-N 1 0 314.385 3.807 20 5 DHBDRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453402520 338838880 /nfs/dbraw/zinc/83/88/80/338838880.db2.gz AFVMOLPNLYINEF-MGPQQGTHSA-N 1 0 308.426 3.689 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453414552 338840428 /nfs/dbraw/zinc/84/04/28/338840428.db2.gz SUZXTTGMYCDSHG-FRFSOERESA-N 1 0 306.406 3.902 20 5 DHBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000459641322 339039823 /nfs/dbraw/zinc/03/98/23/339039823.db2.gz MIEOCUXKEUVVKU-CYBMUJFWSA-N 1 0 317.364 3.630 20 5 DHBDRO C[C@@H](C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459786115 339048464 /nfs/dbraw/zinc/04/84/64/339048464.db2.gz BBSVJXBEKNQNPX-STQMWFEESA-N 1 0 322.405 3.565 20 5 DHBDRO Cc1cc(NCC(C)(C)[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461717849 339065862 /nfs/dbraw/zinc/06/58/62/339065862.db2.gz KTXCGQRILLELEL-UHFFFAOYSA-N 1 0 319.327 3.674 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000464067269 339132839 /nfs/dbraw/zinc/13/28/39/339132839.db2.gz BROJWLGTBCLVGV-HOTGVXAUSA-N 1 0 306.406 3.585 20 5 DHBDRO COc1cc(C[N@H+](C)C[C@H]2CC=CCC2)c([N+](=O)[O-])cc1F ZINC000464501413 339143707 /nfs/dbraw/zinc/14/37/07/339143707.db2.gz VLYRBAIHLJZPMY-LBPRGKRZSA-N 1 0 308.353 3.531 20 5 DHBDRO COc1cc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000464678513 339148440 /nfs/dbraw/zinc/14/84/40/339148440.db2.gz PMWBRAYMBBPFNP-JMSVASOKSA-N 1 0 322.380 3.896 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000464845770 339157234 /nfs/dbraw/zinc/15/72/34/339157234.db2.gz HFMFXSHOPUEXBA-OKILXGFUSA-N 1 0 304.390 3.614 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000466472919 339206501 /nfs/dbraw/zinc/20/65/01/339206501.db2.gz IRAHKCHMAWPKCA-JKSUJKDBSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467336398 339232253 /nfs/dbraw/zinc/23/22/53/339232253.db2.gz WSGSUXJGRJWTQL-QMCVQRASSA-N 1 0 318.417 3.841 20 5 DHBDRO C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000467862617 339248042 /nfs/dbraw/zinc/24/80/42/339248042.db2.gz IMYGWUYODDCMDA-CHWSQXEVSA-N 1 0 318.348 3.852 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOCC(C)C ZINC000468626471 339267360 /nfs/dbraw/zinc/26/73/60/339267360.db2.gz FCKPXMFTCODOKN-XNTDXEJSSA-N 1 0 306.406 3.650 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(C)CCCS1 ZINC000468819924 339271724 /nfs/dbraw/zinc/27/17/24/339271724.db2.gz DCGDDEZMGXMROC-LRFDDAOPSA-N 1 0 306.431 3.873 20 5 DHBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000471049526 339335786 /nfs/dbraw/zinc/33/57/86/339335786.db2.gz ZMAYKIHXMHJEGL-KSSFIOAISA-N 1 0 312.369 3.667 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](OC)C1 ZINC000471780102 339353738 /nfs/dbraw/zinc/35/37/38/339353738.db2.gz LXEYXYGIEMDJER-HZSPNIEDSA-N 1 0 324.446 3.623 20 5 DHBDRO COc1cccc(NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000475429647 339451262 /nfs/dbraw/zinc/45/12/62/339451262.db2.gz NYKSECNNTPQPPT-UHFFFAOYSA-N 1 0 321.421 3.672 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H](CCO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000479494252 339538115 /nfs/dbraw/zinc/53/81/15/339538115.db2.gz CJXRWJWBFMHZJM-YOEHRIQHSA-N 1 0 320.433 3.885 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](CO)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000479550331 339540630 /nfs/dbraw/zinc/54/06/30/339540630.db2.gz BYNUAKMSJMOXPJ-KBPBESRZSA-N 1 0 308.422 3.741 20 5 DHBDRO Cc1c([C@@H](C)NC[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000480904017 339590348 /nfs/dbraw/zinc/59/03/48/339590348.db2.gz HOWLAOYWOHSYMV-GDBMZVCRSA-N 1 0 319.449 3.676 20 5 DHBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481210025 339598443 /nfs/dbraw/zinc/59/84/43/339598443.db2.gz VXOFXYMJLOWERY-COPLHBTASA-N 1 0 310.369 3.657 20 5 DHBDRO COc1cc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000484156630 339682228 /nfs/dbraw/zinc/68/22/28/339682228.db2.gz GNUXUFPOORBQOQ-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccsc2)cc(C(F)(F)F)c1 ZINC000487196075 339745926 /nfs/dbraw/zinc/74/59/26/339745926.db2.gz QPBLYAAHNUIVMG-UHFFFAOYSA-N 1 0 316.304 3.965 20 5 DHBDRO CCc1cc(OC)ccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000500421273 340057963 /nfs/dbraw/zinc/05/79/63/340057963.db2.gz HEOLVHYAPPZFRM-UHFFFAOYSA-N 1 0 314.385 3.764 20 5 DHBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000500546833 340062028 /nfs/dbraw/zinc/06/20/28/340062028.db2.gz VTRLGRHOIZDOQU-UHFFFAOYSA-N 1 0 311.813 3.782 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCc2cccc(F)c2C1 ZINC000502501828 340106114 /nfs/dbraw/zinc/10/61/14/340106114.db2.gz UQRLZJMHTHAXDE-GFCCVEGCSA-N 1 0 300.333 3.853 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000503911332 340136648 /nfs/dbraw/zinc/13/66/48/340136648.db2.gz PFLSSBQWEOICBC-ZKYQVNSYSA-N 1 0 314.332 3.714 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cscn1 ZINC000504893152 340154858 /nfs/dbraw/zinc/15/48/58/340154858.db2.gz CJGUJZMEINHYJS-NSHDSACASA-N 1 0 323.443 3.712 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCSC ZINC000504905542 340155569 /nfs/dbraw/zinc/15/55/69/340155569.db2.gz KCLJQFLJOWHLQU-GFCCVEGCSA-N 1 0 314.476 3.808 20 5 DHBDRO CCC[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000506771655 340201528 /nfs/dbraw/zinc/20/15/28/340201528.db2.gz HXWRIMRSMLDHGR-UHFFFAOYSA-N 1 0 320.414 3.528 20 5 DHBDRO CCC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000402391294 340230343 /nfs/dbraw/zinc/23/03/43/340230343.db2.gz UINALIMSADDVSR-RHSMWYFYSA-N 1 0 306.406 3.842 20 5 DHBDRO CC[C@H]1C[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000507791524 340231543 /nfs/dbraw/zinc/23/15/43/340231543.db2.gz CQCORGJYFZINBD-QAPCUYQASA-N 1 0 318.417 3.764 20 5 DHBDRO CC[C@H]1C[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000507793633 340231750 /nfs/dbraw/zinc/23/17/50/340231750.db2.gz HURPCPBVKZMFJD-YOEHRIQHSA-N 1 0 318.417 3.764 20 5 DHBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000302862967 340284601 /nfs/dbraw/zinc/28/46/01/340284601.db2.gz UMKBLERPEQQHOE-KRWDZBQOSA-N 1 0 311.385 3.671 20 5 DHBDRO C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000510680937 340306353 /nfs/dbraw/zinc/30/63/53/340306353.db2.gz JSQYNKHJLWFUOO-LBPRGKRZSA-N 1 0 320.339 3.984 20 5 DHBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCCF)cc1[N+](=O)[O-] ZINC000510700409 340307252 /nfs/dbraw/zinc/30/72/52/340307252.db2.gz JGHFZEVNGMMSQJ-KGLIPLIRSA-N 1 0 310.369 3.611 20 5 DHBDRO COc1cccc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511107685 340320923 /nfs/dbraw/zinc/32/09/23/340320923.db2.gz LLYIQAXBUUNILY-CQSZACIVSA-N 1 0 314.385 3.839 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000511760376 340337337 /nfs/dbraw/zinc/33/73/37/340337337.db2.gz WZCMBENDHBJHJK-ONEGZZNKSA-N 1 0 318.323 3.719 20 5 DHBDRO C[C@H](N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173453277 340365427 /nfs/dbraw/zinc/36/54/27/340365427.db2.gz UIWWGICLQYDETC-WMLDXEAASA-N 1 0 317.433 3.510 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000513105693 340393418 /nfs/dbraw/zinc/39/34/18/340393418.db2.gz AFOKYLYNCJDRDE-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO CC(C)c1ccc(OCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000513594076 340414527 /nfs/dbraw/zinc/41/45/27/340414527.db2.gz NMEYEQCOKLMZDS-UHFFFAOYSA-N 1 0 314.385 3.887 20 5 DHBDRO CC(C)C[NH+]1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000220209828 340515246 /nfs/dbraw/zinc/51/52/46/340515246.db2.gz CJHANJBKDOERFP-UHFFFAOYSA-N 1 0 311.813 3.781 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000539058352 340868872 /nfs/dbraw/zinc/86/88/72/340868872.db2.gz DHAOFICBOSWVCX-RLFYNMQTSA-N 1 0 320.433 3.885 20 5 DHBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000539553519 340890417 /nfs/dbraw/zinc/89/04/17/340890417.db2.gz AZBJMJHHWBEBCQ-PBHICJAKSA-N 1 0 306.406 3.623 20 5 DHBDRO C[C@H]([NH2+]CCOc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000540194324 340922700 /nfs/dbraw/zinc/92/27/00/340922700.db2.gz GINFSSCNGYHCFN-LBPRGKRZSA-N 1 0 320.776 3.978 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000130384578 341020480 /nfs/dbraw/zinc/02/04/80/341020480.db2.gz BNSUQRPYQORUMC-WBMJQRKESA-N 1 0 312.369 3.947 20 5 DHBDRO CC[N@H+](CCC1CC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000546265604 341160294 /nfs/dbraw/zinc/16/02/94/341160294.db2.gz RBYHSMQOCHFKHS-UHFFFAOYSA-N 1 0 314.332 3.818 20 5 DHBDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000075897092 341188417 /nfs/dbraw/zinc/18/84/17/341188417.db2.gz XXMXJFQNMCQKDC-AWEZNQCLSA-N 1 0 314.385 3.666 20 5 DHBDRO C[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000547739763 341229740 /nfs/dbraw/zinc/22/97/40/341229740.db2.gz SUHMZRYTTHXZIM-ZDUSSCGKSA-N 1 0 302.349 3.670 20 5 DHBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000548723053 341270627 /nfs/dbraw/zinc/27/06/27/341270627.db2.gz OWXBXUZCLLAEMZ-DOMZBBRYSA-N 1 0 300.358 3.644 20 5 DHBDRO C[C@@H]1CC(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000548993655 341283072 /nfs/dbraw/zinc/28/30/72/341283072.db2.gz QCQFQKWCFMFWFU-QZJXFQPZSA-N 1 0 318.417 3.791 20 5 DHBDRO CC1(C)SC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000549233412 341289190 /nfs/dbraw/zinc/28/91/90/341289190.db2.gz WVRQHIQRXUFXEZ-KBPBESRZSA-N 1 0 306.431 3.801 20 5 DHBDRO C[C@@H](Cc1ccsc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549810762 341303689 /nfs/dbraw/zinc/30/36/89/341303689.db2.gz WUBXZMNDIZWXJQ-ZDUSSCGKSA-N 1 0 304.415 3.762 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245605315 341304903 /nfs/dbraw/zinc/30/49/03/341304903.db2.gz QVRJBCLSVUOLPS-IARIHHJXSA-N 1 0 306.406 3.982 20 5 DHBDRO CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549865826 341305450 /nfs/dbraw/zinc/30/54/50/341305450.db2.gz GWYAKZRVTKSOSB-JTQLQIEISA-N 1 0 302.296 3.846 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)F ZINC000551264426 341335886 /nfs/dbraw/zinc/33/58/86/341335886.db2.gz KOOIUGUQNBMJPM-NWDGAFQWSA-N 1 0 300.399 3.803 20 5 DHBDRO C[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000248407887 341376745 /nfs/dbraw/zinc/37/67/45/341376745.db2.gz DQPPMXZAUPIVGS-HUUCEWRRSA-N 1 0 305.422 3.510 20 5 DHBDRO COc1cc(F)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090972146 341420939 /nfs/dbraw/zinc/42/09/39/341420939.db2.gz PFRPTOGNGRSNIF-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO CCOC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCC1 ZINC000555615826 341487263 /nfs/dbraw/zinc/48/72/63/341487263.db2.gz DACWKUBIZTYCSI-CLFYSBASSA-N 1 0 304.390 3.547 20 5 DHBDRO CCCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000565625692 341533047 /nfs/dbraw/zinc/53/30/47/341533047.db2.gz KGMQBDNKFZVGEA-UHFFFAOYSA-N 1 0 306.406 3.814 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000574741548 341767567 /nfs/dbraw/zinc/76/75/67/341767567.db2.gz SRUNWSJNDKMESR-HACGYAERSA-N 1 0 304.390 3.519 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccsc1)CCC2 ZINC000192634336 341878391 /nfs/dbraw/zinc/87/83/91/341878391.db2.gz UCMHNMIJKVLIEL-INIZCTEOSA-N 1 0 302.399 3.866 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC1CCCC1)CCC2 ZINC000192768976 341886977 /nfs/dbraw/zinc/88/69/77/341886977.db2.gz LGYIHEAUQXWRCV-QGZVFWFLSA-N 1 0 304.390 3.521 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]c2ccccc12 ZINC000110253671 518162702 /nfs/dbraw/zinc/16/27/02/518162702.db2.gz NHKPAYPHTHCPGT-UHFFFAOYSA-N 1 0 309.325 3.764 20 5 DHBDRO CC(C)=CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000191631511 519438644 /nfs/dbraw/zinc/43/86/44/519438644.db2.gz QLAQOJQWVVNSSI-UHFFFAOYSA-N 1 0 303.387 3.774 20 5 DHBDRO CCCO[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000108392736 520273136 /nfs/dbraw/zinc/27/31/36/520273136.db2.gz WSAXBULWCCNWRB-CYBMUJFWSA-N 1 0 310.369 3.515 20 5 DHBDRO CC[NH+](CC)CCCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000338229871 520597188 /nfs/dbraw/zinc/59/71/88/520597188.db2.gz DAJFNFXAWPZSNU-UHFFFAOYSA-N 1 0 307.438 3.537 20 5 DHBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000266423507 521006725 /nfs/dbraw/zinc/00/67/25/521006725.db2.gz BDWVJCAIEYGZII-LBPRGKRZSA-N 1 0 318.348 3.983 20 5 DHBDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182822757 521491754 /nfs/dbraw/zinc/49/17/54/521491754.db2.gz KBKXAQKJQUWKOD-HOTGVXAUSA-N 1 0 319.449 3.628 20 5 DHBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183043691 521819692 /nfs/dbraw/zinc/81/96/92/521819692.db2.gz GFJFGXIJEVAANL-NWDGAFQWSA-N 1 0 303.362 3.774 20 5 DHBDRO C[N@H+](CCCCC(=O)OC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000181515376 522726847 /nfs/dbraw/zinc/72/68/47/522726847.db2.gz BXVWGVYPISTYFX-UHFFFAOYSA-N 1 0 322.405 3.539 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000266846571 525381512 /nfs/dbraw/zinc/38/15/12/525381512.db2.gz IBAMTLMAERKERP-MEDUHNTESA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000160499711 525401131 /nfs/dbraw/zinc/40/11/31/525401131.db2.gz NFQJRESOVMROAP-CQSZACIVSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000157596618 525436115 /nfs/dbraw/zinc/43/61/15/525436115.db2.gz NJDOIPQYTAVFBG-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000162943458 525590847 /nfs/dbraw/zinc/59/08/47/525590847.db2.gz COTVZUOYTMSRSV-SJWGOKEGSA-N 1 0 316.401 3.593 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)cccc1[N+](=O)[O-] ZINC000178550106 525900410 /nfs/dbraw/zinc/90/04/10/525900410.db2.gz GDCQKYVVJQEOJL-ZIAGYGMSSA-N 1 0 314.385 3.807 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000268831538 525917872 /nfs/dbraw/zinc/91/78/72/525917872.db2.gz WNHIZQSUMRXOQT-ZDUSSCGKSA-N 1 0 300.358 3.502 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245536635 526088797 /nfs/dbraw/zinc/08/87/97/526088797.db2.gz XPAQCXRGYUEYEQ-DYVFJYSZSA-N 1 0 314.389 3.535 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000266748664 526119635 /nfs/dbraw/zinc/11/96/35/526119635.db2.gz PLASEFGPNBKUJJ-CVEARBPZSA-N 1 0 317.433 3.606 20 5 DHBDRO Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000186776431 526144832 /nfs/dbraw/zinc/14/48/32/526144832.db2.gz YVRLQFMHYFXDNM-PWSUYJOCSA-N 1 0 305.403 3.814 20 5 DHBDRO COCC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000272587337 536809364 /nfs/dbraw/zinc/80/93/64/536809364.db2.gz RLGYVGVPHWYCPT-UKRRQHHQSA-N 1 0 318.373 3.925 20 5 DHBDRO Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000426284901 1013186748 /nfs/dbraw/zinc/18/67/48/1013186748.db2.gz BYSYVUXHLRITSN-GDBMZVCRSA-N 1 0 314.385 3.997 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000246944144 1013232323 /nfs/dbraw/zinc/23/23/23/1013232323.db2.gz GZZPLESZUMRUDL-TWMKSMIVSA-N 1 0 304.390 3.593 20 5 DHBDRO [NH3+]Cc1cnc2c(ccn2-c2cc3ccccc3c([N+](=O)[O-])c2)c1 ZINC001167316293 1013830425 /nfs/dbraw/zinc/83/04/25/1013830425.db2.gz NYMNLSMEJWXROC-UHFFFAOYSA-N 1 0 318.336 3.546 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000578964209 1013835509 /nfs/dbraw/zinc/83/55/09/1013835509.db2.gz DBFYXUPWHFRLHX-CABCVRRESA-N 1 0 318.417 3.903 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000441462423 1013909440 /nfs/dbraw/zinc/90/94/40/1013909440.db2.gz IAWUHPUHBMWIPP-DVOMOZLQSA-N 1 0 304.390 3.756 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000071212632 1014120935 /nfs/dbraw/zinc/12/09/35/1014120935.db2.gz JOLDLASOVGBJPK-CQSZACIVSA-N 1 0 305.403 3.991 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000275910324 1014209593 /nfs/dbraw/zinc/20/95/93/1014209593.db2.gz XACAPSPVJROUKT-DYVFJYSZSA-N 1 0 304.390 3.547 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000068838525 1014315355 /nfs/dbraw/zinc/31/53/55/1014315355.db2.gz RDBHMPMNSDCVEJ-CYBMUJFWSA-N 1 0 309.366 3.510 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000068838524 1014316498 /nfs/dbraw/zinc/31/64/98/1014316498.db2.gz RDBHMPMNSDCVEJ-ZDUSSCGKSA-N 1 0 309.366 3.510 20 5 DHBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCOC(C)(C)C1 ZINC000580743291 1014327674 /nfs/dbraw/zinc/32/76/74/1014327674.db2.gz NQNADHZHEJFZGB-HNNXBMFYSA-N 1 0 306.406 3.683 20 5 DHBDRO CC[C@H](C)[C@@H](C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000520592051 1014362056 /nfs/dbraw/zinc/36/20/56/1014362056.db2.gz QQVRYINRDAJNFL-UONOGXRCSA-N 1 0 306.406 3.873 20 5 DHBDRO CC[C@@H](C)C[N@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177856464 1014434875 /nfs/dbraw/zinc/43/48/75/1014434875.db2.gz DYWOUPCXCMOYFJ-GFCCVEGCSA-N 1 0 318.377 3.513 20 5 DHBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1cccs1 ZINC000561847841 1032096994 /nfs/dbraw/zinc/09/69/94/1032096994.db2.gz YFASHEPCNFAZTA-UHFFFAOYSA-N 1 0 320.414 3.600 20 5 DHBDRO CCc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000581201895 1014610914 /nfs/dbraw/zinc/61/09/14/1014610914.db2.gz YVVGICBWVVGSRM-HNNXBMFYSA-N 1 0 302.399 3.996 20 5 DHBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000442808677 1014741737 /nfs/dbraw/zinc/74/17/37/1014741737.db2.gz HSDOMRKJHWFVQR-GVDBMIGSSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000165678832 1014812596 /nfs/dbraw/zinc/81/25/96/1014812596.db2.gz GPVDVLFZXAFFRA-CQSZACIVSA-N 1 0 306.406 3.578 20 5 DHBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000522107096 1014893165 /nfs/dbraw/zinc/89/31/65/1014893165.db2.gz GALKOSRVJNIIRU-UHFFFAOYSA-N 1 0 311.813 3.559 20 5 DHBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])c1C ZINC001167465600 1014902915 /nfs/dbraw/zinc/90/29/15/1014902915.db2.gz YMLJZTMQYQTESV-QGZVFWFLSA-N 1 0 311.385 3.944 20 5 DHBDRO Cc1ccc(C(=O)CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000187419550 1014995211 /nfs/dbraw/zinc/99/52/11/1014995211.db2.gz VIBYJKNTBATKDQ-CQSZACIVSA-N 1 0 312.369 3.827 20 5 DHBDRO CCC(CC)[C@H](CNc1nccc(C)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000522409393 1015128104 /nfs/dbraw/zinc/12/81/04/1015128104.db2.gz ZGOABEIZTPSMHS-HNNXBMFYSA-N 1 0 320.437 3.611 20 5 DHBDRO C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000581676623 1015204795 /nfs/dbraw/zinc/20/47/95/1015204795.db2.gz CCHLPFDCHQGLNM-LOUJCGABSA-N 1 0 318.417 3.765 20 5 DHBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCOc2ccccc21 ZINC000933371027 1015220534 /nfs/dbraw/zinc/22/05/34/1015220534.db2.gz PRGTZYUVEIIYTE-QGZVFWFLSA-N 1 0 316.332 3.521 20 5 DHBDRO O=[N+]([O-])c1sccc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000610550182 1015465038 /nfs/dbraw/zinc/46/50/38/1015465038.db2.gz FUBZRUIAUOROPI-CQSZACIVSA-N 1 0 323.462 3.749 20 5 DHBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000896512043 1015604289 /nfs/dbraw/zinc/60/42/89/1015604289.db2.gz KMRLIBFKGSPVLL-GFCCVEGCSA-N 1 0 316.357 3.550 20 5 DHBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185644477 1015606327 /nfs/dbraw/zinc/60/63/27/1015606327.db2.gz VJKYQOQMLLSHCO-MLGOLLRUSA-N 1 0 315.373 3.870 20 5 DHBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000474814296 1015616271 /nfs/dbraw/zinc/61/62/71/1015616271.db2.gz UMHCKXQDKOLHEZ-KBMXLJTQSA-N 1 0 306.406 3.759 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)cc1Cl ZINC000896613462 1015673320 /nfs/dbraw/zinc/67/33/20/1015673320.db2.gz XFAZRXJLPIPZJG-MRXNPFEDSA-N 1 0 317.776 3.884 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(F)(F)CC1 ZINC000341720356 1015701681 /nfs/dbraw/zinc/70/16/81/1015701681.db2.gz GVTGQVQJWXAAMW-UHFFFAOYSA-N 1 0 314.332 3.661 20 5 DHBDRO CCOc1cc(C[NH2+][C@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000276919232 1015746396 /nfs/dbraw/zinc/74/63/96/1015746396.db2.gz OWUHDTFZFBJLET-GFCCVEGCSA-N 1 0 316.357 3.550 20 5 DHBDRO CCOc1cc(CN2CCC[C@H]2c2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000276931223 1015758135 /nfs/dbraw/zinc/75/81/35/1015758135.db2.gz QWQQXWHLGLAAHF-HNNXBMFYSA-N 1 0 315.373 3.659 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCC34CCCC4)c2c1 ZINC000561787328 1015790364 /nfs/dbraw/zinc/79/03/64/1015790364.db2.gz YVKNQYRUZAZWGE-QGZVFWFLSA-N 1 0 313.401 3.931 20 5 DHBDRO COc1ccc(C[NH2+]CCCCCCSC)cc1[N+](=O)[O-] ZINC000230149435 1015810186 /nfs/dbraw/zinc/81/01/86/1015810186.db2.gz UZYGNIORPHXJMQ-UHFFFAOYSA-N 1 0 312.435 3.616 20 5 DHBDRO COc1ccc(CN[C@H](C)c2nc(C)sc2C)cc1[N+](=O)[O-] ZINC000611012503 1016013614 /nfs/dbraw/zinc/01/36/14/1016013614.db2.gz RTAYWIQUTATJKO-SECBINFHSA-N 1 0 321.402 3.528 20 5 DHBDRO COc1ccc(C[N@H+](Cc2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000051403083 1016320695 /nfs/dbraw/zinc/32/06/95/1016320695.db2.gz WDQXQDLPWVFUFV-UHFFFAOYSA-N 1 0 312.369 3.768 20 5 DHBDRO C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178532449 1016326374 /nfs/dbraw/zinc/32/63/74/1016326374.db2.gz OHRGGJJWTJOJLB-XJKSGUPXSA-N 1 0 307.438 3.612 20 5 DHBDRO Cc1cnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000277487335 1016399996 /nfs/dbraw/zinc/39/99/96/1016399996.db2.gz NDLMLBXZDYTFJH-UHFFFAOYSA-N 1 0 317.414 3.739 20 5 DHBDRO Cc1nn(C(C)C)cc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000281463208 1016529231 /nfs/dbraw/zinc/52/92/31/1016529231.db2.gz UIXBVWDCLVWRIC-ZDUSSCGKSA-N 1 0 316.405 3.840 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000321324772 1016532136 /nfs/dbraw/zinc/53/21/36/1016532136.db2.gz RWSKMQFYLYSKBG-GOSISDBHSA-N 1 0 312.369 3.641 20 5 DHBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC(C)(C)C ZINC000263818657 1016540142 /nfs/dbraw/zinc/54/01/42/1016540142.db2.gz WUZDPILOXLKGRQ-LLVKDONJSA-N 1 0 318.377 3.684 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000346795106 1016562233 /nfs/dbraw/zinc/56/22/33/1016562233.db2.gz NBZDUVBIXGTFQA-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)Oc1ccccc1 ZINC000478383231 1016686092 /nfs/dbraw/zinc/68/60/92/1016686092.db2.gz JQFLMTHJKAZOLE-UHFFFAOYSA-N 1 0 318.348 3.681 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2nc3ccccc3s2)c1 ZINC000072727529 1016863391 /nfs/dbraw/zinc/86/33/91/1016863391.db2.gz BMNGRUAUWOJIGP-UHFFFAOYSA-N 1 0 313.382 3.537 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCCc2ccc(F)c(F)c2)c1 ZINC000479425899 1016953058 /nfs/dbraw/zinc/95/30/58/1016953058.db2.gz VFFXXRQCGKOISM-UHFFFAOYSA-N 1 0 320.339 3.986 20 5 DHBDRO Cc1cccnc1CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295010263 1032245195 /nfs/dbraw/zinc/24/51/95/1032245195.db2.gz MAOPVZTZWNWYOV-UHFFFAOYSA-N 1 0 319.792 3.674 20 5 DHBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCCC1 ZINC000475196284 1017070275 /nfs/dbraw/zinc/07/02/75/1017070275.db2.gz UMPLUPRIEYBWOG-LBPRGKRZSA-N 1 0 316.405 3.920 20 5 DHBDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000475200674 1017079871 /nfs/dbraw/zinc/07/98/71/1017079871.db2.gz DPAWJMYUQWMABD-UHFFFAOYSA-N 1 0 323.396 3.993 20 5 DHBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001171297978 1032283181 /nfs/dbraw/zinc/28/31/81/1032283181.db2.gz QXCNDVIQCLANJW-IKGGRYGDSA-N 1 0 320.433 3.775 20 5 DHBDRO [NH3+]CCc1cc2ccccc2n1-c1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001171304294 1032309086 /nfs/dbraw/zinc/30/90/86/1032309086.db2.gz GQGIHNCPIYIQQN-UHFFFAOYSA-N 1 0 320.352 3.521 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000348179374 1032490949 /nfs/dbraw/zinc/49/09/49/1032490949.db2.gz JMCDELCPXDFLRJ-UHFFFAOYSA-N 1 0 304.390 3.760 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC34CC4)s2)cc1 ZINC000424186708 1011937305 /nfs/dbraw/zinc/93/73/05/1011937305.db2.gz TUBVZIYIADZZML-OAHLLOKOSA-N 1 0 300.383 3.965 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CSC ZINC000504905501 1012019626 /nfs/dbraw/zinc/01/96/26/1012019626.db2.gz JMAWOBLHGGCNHE-VXGBXAGGSA-N 1 0 314.476 3.807 20 5 DHBDRO C[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCOC1 ZINC000120151736 1012095741 /nfs/dbraw/zinc/09/57/41/1012095741.db2.gz LGXYUZJYFLBPBU-MRXNPFEDSA-N 1 0 318.398 3.592 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000122799063 1032621346 /nfs/dbraw/zinc/62/13/46/1032621346.db2.gz NUNKLTCBFUUXES-OAHLLOKOSA-N 1 0 319.792 3.927 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(O)cc1 ZINC000514784946 1012438203 /nfs/dbraw/zinc/43/82/03/1012438203.db2.gz BENMHRUEBQMIJZ-GXDHUFHOSA-N 1 0 312.369 3.836 20 5 DHBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000123054571 1032633803 /nfs/dbraw/zinc/63/38/03/1032633803.db2.gz ZSUREKQYLADBMC-OLZOCXBDSA-N 1 0 300.358 3.582 20 5 DHBDRO CCc1cnccc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515389259 1012611955 /nfs/dbraw/zinc/61/19/55/1012611955.db2.gz SQDCPMVXYBDZQB-SJCJKPOMSA-N 1 0 311.385 3.890 20 5 DHBDRO Cc1ccc([C@H](C)[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000515479749 1012637796 /nfs/dbraw/zinc/63/77/96/1012637796.db2.gz JVQGSUSWVMOJRB-HNNXBMFYSA-N 1 0 314.385 3.975 20 5 DHBDRO Cc1cc(NCCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000515550351 1012656936 /nfs/dbraw/zinc/65/69/36/1012656936.db2.gz LSCDKYAGBPQIDA-HNNXBMFYSA-N 1 0 305.422 3.970 20 5 DHBDRO C[C@@H](c1ccccc1F)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000515675386 1012692893 /nfs/dbraw/zinc/69/28/93/1012692893.db2.gz ZKRLGRQJUKRVHK-ZDUSSCGKSA-N 1 0 302.349 3.969 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CCO)CC(C)C)cc1[N+](=O)[O-] ZINC000154638038 1012866265 /nfs/dbraw/zinc/86/62/65/1012866265.db2.gz JPTFDDHGKGSTQY-HUUCEWRRSA-N 1 0 308.422 3.599 20 5 DHBDRO CC[N@H+](CCC1CC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000760536049 1032685802 /nfs/dbraw/zinc/68/58/02/1032685802.db2.gz ACKZOXIQRZGWJS-UHFFFAOYSA-N 1 0 314.389 3.538 20 5 DHBDRO C[NH+](C)Cc1ccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000783577410 1017211137 /nfs/dbraw/zinc/21/11/37/1017211137.db2.gz UUQUIVIPANMDHA-UHFFFAOYSA-N 1 0 319.792 3.922 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(F)(F)F)CC1 ZINC000075997624 1017358969 /nfs/dbraw/zinc/35/89/69/1017358969.db2.gz OPJAOLUGPFUDPY-SNVBAGLBSA-N 1 0 302.296 3.930 20 5 DHBDRO CO[C@]1(C)CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000475552650 1017423824 /nfs/dbraw/zinc/42/38/24/1017423824.db2.gz XHQJYDKRYCCSMV-WTQUMQLASA-N 1 0 318.417 3.889 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178654607 1017561197 /nfs/dbraw/zinc/56/11/97/1017561197.db2.gz NCSXSAIMBJXZEE-ZFWWWQNUSA-N 1 0 312.369 3.812 20 5 DHBDRO C[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178661336 1017570294 /nfs/dbraw/zinc/57/02/94/1017570294.db2.gz PNPZPHOEVBIXAB-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686035 1017616187 /nfs/dbraw/zinc/61/61/87/1017616187.db2.gz ULCWXQKDKIPMGE-ZDUSSCGKSA-N 1 0 324.384 3.939 20 5 DHBDRO COc1cc(C[N@H+](C)Cc2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000444702390 1017641735 /nfs/dbraw/zinc/64/17/35/1017641735.db2.gz RGJXXAKUQOFVFO-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO Cc1ccc(F)c(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000444745309 1017658001 /nfs/dbraw/zinc/65/80/01/1017658001.db2.gz QLROHNVJJJJHJN-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@H](F)C2)o1 ZINC000572878026 1017747547 /nfs/dbraw/zinc/74/75/47/1017747547.db2.gz LZCYLZDJQCWYBN-RYUDHWBXSA-N 1 0 304.321 3.835 20 5 DHBDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178693665 1017782791 /nfs/dbraw/zinc/78/27/91/1017782791.db2.gz WQGOKXQCBHQPEU-JLJPHGGASA-N 1 0 306.406 3.697 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000268880117 1017818239 /nfs/dbraw/zinc/81/82/39/1017818239.db2.gz HTQDGYHXDIJKTD-QZTJIDSGSA-N 1 0 314.385 3.759 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)C1CC1 ZINC000121599298 1017960064 /nfs/dbraw/zinc/96/00/64/1017960064.db2.gz GVEMCMUWVQJSNL-IEBWSBKVSA-N 1 0 322.408 3.845 20 5 DHBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000613184936 1017971385 /nfs/dbraw/zinc/97/13/85/1017971385.db2.gz ZBACJVYBLUDEEV-OCCSQVGLSA-N 1 0 317.414 3.589 20 5 DHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000445890116 1018001706 /nfs/dbraw/zinc/00/17/06/1018001706.db2.gz KYAOCSJOLLFHCV-LLVKDONJSA-N 1 0 308.275 3.801 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000340405360 1018048432 /nfs/dbraw/zinc/04/84/32/1018048432.db2.gz JMXTUVNZIHNUFD-UHFFFAOYSA-N 1 0 307.353 3.741 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000173457077 1018216319 /nfs/dbraw/zinc/21/63/19/1018216319.db2.gz JKLDAYVCOOLMTL-SJCJKPOMSA-N 1 0 318.348 3.772 20 5 DHBDRO CC1(C)CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000446838590 1018269336 /nfs/dbraw/zinc/26/93/36/1018269336.db2.gz KALONXRGFZSMPP-UHFFFAOYSA-N 1 0 302.378 3.530 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764884345 1018415670 /nfs/dbraw/zinc/41/56/70/1018415670.db2.gz YLYWZQJJVBJQAI-TZMCWYRMSA-N 1 0 316.405 3.721 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCc1ccccc1Cl)C2 ZINC000536009017 1018415955 /nfs/dbraw/zinc/41/59/55/1018415955.db2.gz YYHMEGOZQJXGKR-UHFFFAOYSA-N 1 0 316.788 3.849 20 5 DHBDRO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000447599951 1018434234 /nfs/dbraw/zinc/43/42/34/1018434234.db2.gz LAUBZWHPQJZVMS-LBTNJELSSA-N 1 0 318.417 3.767 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000526001122 1018436327 /nfs/dbraw/zinc/43/63/27/1018436327.db2.gz JMFVGISCRCGFIT-HNNXBMFYSA-N 1 0 300.333 3.723 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000526001434 1018436488 /nfs/dbraw/zinc/43/64/88/1018436488.db2.gz WVDIGYUPYUVGJX-CQSZACIVSA-N 1 0 300.333 3.723 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000246711059 1018499927 /nfs/dbraw/zinc/49/99/27/1018499927.db2.gz CNUNJHMFXCADLR-DAXOMENPSA-N 1 0 304.390 3.593 20 5 DHBDRO CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000583522888 1018529098 /nfs/dbraw/zinc/52/90/98/1018529098.db2.gz BRSJNMYYFLDHRE-CYBMUJFWSA-N 1 0 324.421 3.707 20 5 DHBDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000583578393 1018569748 /nfs/dbraw/zinc/56/97/48/1018569748.db2.gz OPEJTUOMXSGLGO-ZIAGYGMSSA-N 1 0 304.390 3.614 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000340442700 1018611030 /nfs/dbraw/zinc/61/10/30/1018611030.db2.gz CXTDWLOQHMAWAV-MRXNPFEDSA-N 1 0 316.332 3.737 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@]23CCC[C@H]2OCC3)cccc1[N+](=O)[O-] ZINC000926919932 1032773026 /nfs/dbraw/zinc/77/30/26/1032773026.db2.gz QHXBGOOBTBFOQA-KBRIMQKVSA-N 1 0 304.390 3.513 20 5 DHBDRO CCC[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])OCC ZINC000705334379 1018648743 /nfs/dbraw/zinc/64/87/43/1018648743.db2.gz WTCWOHHHGWAIJH-CYBMUJFWSA-N 1 0 300.786 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)c1 ZINC000922897142 1018881687 /nfs/dbraw/zinc/88/16/87/1018881687.db2.gz LNNSEAWFQHVOPR-LRDDRELGSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278613692 1018926805 /nfs/dbraw/zinc/92/68/05/1018926805.db2.gz FQAZXPQOBRJMFV-WDEREUQCSA-N 1 0 302.296 3.930 20 5 DHBDRO Cc1c([N+](=O)[O-])cc(F)cc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168545449 1018949773 /nfs/dbraw/zinc/94/97/73/1018949773.db2.gz XJGVBMUYFKHNII-GFCCVEGCSA-N 1 0 315.348 3.626 20 5 DHBDRO C[NH2+][C@H](CC(C)(C)C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178866 1019227032 /nfs/dbraw/zinc/22/70/32/1019227032.db2.gz OEBMQCXYRVFYFI-GFCCVEGCSA-N 1 0 318.377 3.650 20 5 DHBDRO CC[C@H](CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000077452373 1019324135 /nfs/dbraw/zinc/32/41/35/1019324135.db2.gz VQLSRPCMDYFMGL-GFCCVEGCSA-N 1 0 320.414 3.574 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000077490306 1019330956 /nfs/dbraw/zinc/33/09/56/1019330956.db2.gz WCTNJLBEFFDYHK-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccoc2C)cc1[N+](=O)[O-] ZINC000611248225 1019422092 /nfs/dbraw/zinc/42/20/92/1019422092.db2.gz QLPLMKYXCSZDDS-NSHDSACASA-N 1 0 304.346 3.746 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2cccnc2)CC1 ZINC000611258705 1019425226 /nfs/dbraw/zinc/42/52/26/1019425226.db2.gz FCDJVOCWLZLWKW-AWEZNQCLSA-N 1 0 311.385 3.930 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCSCC2)cc(C(F)(F)F)c1 ZINC000278771202 1019443367 /nfs/dbraw/zinc/44/33/67/1019443367.db2.gz OTIOKPJJRZEQBF-UHFFFAOYSA-N 1 0 320.336 3.599 20 5 DHBDRO CCC1(O)CCC([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000611314552 1019446891 /nfs/dbraw/zinc/44/68/91/1019446891.db2.gz FTYUNJSCNVKTEE-UHFFFAOYSA-N 1 0 320.433 3.892 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000079723880 1019766623 /nfs/dbraw/zinc/76/66/23/1019766623.db2.gz HTPOPFSBHVFRIE-AWEZNQCLSA-N 1 0 322.368 3.631 20 5 DHBDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000282262864 1019786458 /nfs/dbraw/zinc/78/64/58/1019786458.db2.gz QZUBHJJFJVEHFN-XHDPSFHLSA-N 1 0 312.797 3.543 20 5 DHBDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000282262854 1019786560 /nfs/dbraw/zinc/78/65/60/1019786560.db2.gz QZUBHJJFJVEHFN-IAQYHMDHSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000315513057 1019836463 /nfs/dbraw/zinc/83/64/63/1019836463.db2.gz XPUKCOVJOPLDDN-QGZVFWFLSA-N 1 0 300.358 3.715 20 5 DHBDRO CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000068320547 1019884258 /nfs/dbraw/zinc/88/42/58/1019884258.db2.gz RKLQOWRDBHJKGI-UHFFFAOYSA-N 1 0 316.405 3.677 20 5 DHBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000316791939 1019939124 /nfs/dbraw/zinc/93/91/24/1019939124.db2.gz NWIVUCTWTJBQJP-ONGXEEELSA-N 1 0 317.311 3.508 20 5 DHBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000317910303 1020020119 /nfs/dbraw/zinc/02/01/19/1020020119.db2.gz KLBOSPKHOWTJNR-LSDHHAIUSA-N 1 0 306.406 3.908 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922585519 1020143582 /nfs/dbraw/zinc/14/35/82/1020143582.db2.gz GHTRGRKKVSTJRR-LZCIBIBXSA-N 1 0 309.369 3.744 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922585524 1020143981 /nfs/dbraw/zinc/14/39/81/1020143981.db2.gz GHTRGRKKVSTJRR-YEODSOHDSA-N 1 0 309.369 3.744 20 5 DHBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000093445084 1020152086 /nfs/dbraw/zinc/15/20/86/1020152086.db2.gz CJXVVDXTPFSAER-QGZVFWFLSA-N 1 0 311.385 3.944 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)c(Cl)c1 ZINC000390906307 1020234561 /nfs/dbraw/zinc/23/45/61/1020234561.db2.gz RWQQKNRBBKNJTE-JTQLQIEISA-N 1 0 304.724 3.773 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000330711153 1020239145 /nfs/dbraw/zinc/23/91/45/1020239145.db2.gz PSEHKBWKZBGJJS-GDBMZVCRSA-N 1 0 318.417 3.713 20 5 DHBDRO CC[C@H](C)[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179322601 1020252569 /nfs/dbraw/zinc/25/25/69/1020252569.db2.gz DHHFQIOPUBKELL-NSHDSACASA-N 1 0 305.403 3.949 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926948449 1032888423 /nfs/dbraw/zinc/88/84/23/1032888423.db2.gz IOPFLDMSWPDDFP-KGYLQXTDSA-N 1 0 316.323 3.704 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)CCC2 ZINC000926948978 1032889831 /nfs/dbraw/zinc/88/98/31/1032889831.db2.gz NALGYTGYNUQDOI-GDLCADMTSA-N 1 0 314.307 3.760 20 5 DHBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000553421952 1020300793 /nfs/dbraw/zinc/30/07/93/1020300793.db2.gz MYTMUJPLRPJMPY-PODYEWJSSA-N 1 0 312.369 3.534 20 5 DHBDRO CCCC[NH+]1CCC(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122961575 1020329883 /nfs/dbraw/zinc/32/98/83/1020329883.db2.gz ZNBFFPPKMKLGML-HNNXBMFYSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000122957975 1020330384 /nfs/dbraw/zinc/33/03/84/1020330384.db2.gz WDLORRDNSOWLMN-TZMCWYRMSA-N 1 0 314.385 3.891 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000766006480 1020338913 /nfs/dbraw/zinc/33/89/13/1020338913.db2.gz LANOPHMMPXBOEU-STQMWFEESA-N 1 0 321.421 3.584 20 5 DHBDRO Cc1cccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000302214416 1020420626 /nfs/dbraw/zinc/42/06/26/1020420626.db2.gz ZQBIRRAGVULVKZ-UHFFFAOYSA-N 1 0 308.341 3.767 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)cc1 ZINC000364407290 1020449818 /nfs/dbraw/zinc/44/98/18/1020449818.db2.gz JKUASHXHBXLVAO-UHFFFAOYSA-N 1 0 324.380 3.616 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000765846814 1020493937 /nfs/dbraw/zinc/49/39/37/1020493937.db2.gz YUDOQCZPCPTDMG-ZWKOTPCHSA-N 1 0 314.385 3.678 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000236648329 1020599016 /nfs/dbraw/zinc/59/90/16/1020599016.db2.gz SVHVTAYXUNSYLS-UHFFFAOYSA-N 1 0 306.406 3.503 20 5 DHBDRO Cc1ccc([C@@H](C)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000480658309 1020811719 /nfs/dbraw/zinc/81/17/19/1020811719.db2.gz AWQRZOPEQBDETG-JKSUJKDBSA-N 1 0 319.449 3.818 20 5 DHBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001218027964 1020831150 /nfs/dbraw/zinc/83/11/50/1020831150.db2.gz ROKSPQOPBATUPK-UFBFGSQYSA-N 1 0 319.188 3.669 20 5 DHBDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000580740461 1020854948 /nfs/dbraw/zinc/85/49/48/1020854948.db2.gz PJKPUUWVJXUHDI-CZUORRHYSA-N 1 0 314.385 3.986 20 5 DHBDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000310831754 1021038759 /nfs/dbraw/zinc/03/87/59/1021038759.db2.gz YZAUKNHYDADLNF-LBPRGKRZSA-N 1 0 313.195 3.636 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC000858576038 1032952602 /nfs/dbraw/zinc/95/26/02/1032952602.db2.gz GRCHUDOHHLYXBD-IINYFYTJSA-N 1 0 303.387 3.780 20 5 DHBDRO CCOC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000188684901 1021096133 /nfs/dbraw/zinc/09/61/33/1021096133.db2.gz HIWCNBZVOFBSEF-GDBMZVCRSA-N 1 0 320.433 3.711 20 5 DHBDRO Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180422102 1021111897 /nfs/dbraw/zinc/11/18/97/1021111897.db2.gz LXAXVAJSVMVOBF-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180447024 1021116042 /nfs/dbraw/zinc/11/60/42/1021116042.db2.gz BPILLYXRQNNRGM-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000180700797 1021147847 /nfs/dbraw/zinc/14/78/47/1021147847.db2.gz MBMRDASMYMHXLX-STQMWFEESA-N 1 0 322.405 3.674 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000452097602 1021201939 /nfs/dbraw/zinc/20/19/39/1021201939.db2.gz YPJPCASYYLYFLP-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000776273854 1021215160 /nfs/dbraw/zinc/21/51/60/1021215160.db2.gz AZCGGTHKQWXVTC-JKSUJKDBSA-N 1 0 318.398 3.527 20 5 DHBDRO CC[C@@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177162093 1021220819 /nfs/dbraw/zinc/22/08/19/1021220819.db2.gz OHASXPCZORMQLU-INIZCTEOSA-N 1 0 303.362 3.748 20 5 DHBDRO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000090585614 1021233213 /nfs/dbraw/zinc/23/32/13/1021233213.db2.gz IGDCFXTZXPQTQP-HOTGVXAUSA-N 1 0 319.449 3.613 20 5 DHBDRO CCC[C@@]1(C)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000743404568 1021287020 /nfs/dbraw/zinc/28/70/20/1021287020.db2.gz AGWDFIFGOMVMSS-KRWDZBQOSA-N 1 0 316.405 3.804 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)c(Cl)c1 ZINC000280420809 1021310789 /nfs/dbraw/zinc/31/07/89/1021310789.db2.gz BMWGQCPABJSHAX-VIFPVBQESA-N 1 0 304.724 3.773 20 5 DHBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000917620706 1021322301 /nfs/dbraw/zinc/32/23/01/1021322301.db2.gz VLZJOGDQRKPGLA-MRXNPFEDSA-N 1 0 314.389 3.557 20 5 DHBDRO CCC(CC)[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000918178804 1021476395 /nfs/dbraw/zinc/47/63/95/1021476395.db2.gz JZJXJIPWLUHPSW-UHFFFAOYSA-N 1 0 302.378 3.555 20 5 DHBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 ZINC000850342359 1021481216 /nfs/dbraw/zinc/48/12/16/1021481216.db2.gz PZELFCJDNMWHAV-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000850400916 1021509240 /nfs/dbraw/zinc/50/92/40/1021509240.db2.gz QKGJDILDAFRSJG-HNNXBMFYSA-N 1 0 312.797 3.543 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1nccs1 ZINC000414491695 1021515062 /nfs/dbraw/zinc/51/50/62/1021515062.db2.gz CWHSZIHTUXNUHL-OBIHZWKSSA-N 1 0 303.387 3.805 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CS1 ZINC000414499522 1021516030 /nfs/dbraw/zinc/51/60/30/1021516030.db2.gz KFZSVAPJIFALTO-YPMHNXCESA-N 1 0 318.398 3.838 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000290269284 1021623273 /nfs/dbraw/zinc/62/32/73/1021623273.db2.gz LHOKGZCAGGFGAK-JEBQAFNWSA-N 1 0 314.385 3.758 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000619549304 1021786664 /nfs/dbraw/zinc/78/66/64/1021786664.db2.gz BPOHYQIRIGDFEU-CYBMUJFWSA-N 1 0 309.435 3.865 20 5 DHBDRO CC[N@@H+](Cc1ccc(C)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000746029528 1021831521 /nfs/dbraw/zinc/83/15/21/1021831521.db2.gz RZCINPWDOSUXOM-UHFFFAOYSA-N 1 0 324.384 3.733 20 5 DHBDRO CC(C)C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000746056009 1021837900 /nfs/dbraw/zinc/83/79/00/1021837900.db2.gz OQBIELUOJVNDKK-UHFFFAOYSA-N 1 0 316.405 3.803 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000851806409 1022008976 /nfs/dbraw/zinc/00/89/76/1022008976.db2.gz OTVZOKLQOYOSRQ-INIZCTEOSA-N 1 0 300.333 3.551 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000290647478 1022115716 /nfs/dbraw/zinc/11/57/16/1022115716.db2.gz YXBNLWWKZRHBPJ-KQLJCGTASA-N 1 0 306.365 3.536 20 5 DHBDRO CCC[C@H]([NH2+]C1CCC(C)(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000766480991 1022129385 /nfs/dbraw/zinc/12/93/85/1022129385.db2.gz YBOXWHUAXHNSDL-WIHSUSGWSA-N 1 0 306.406 3.719 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852598747 1022146855 /nfs/dbraw/zinc/14/68/55/1022146855.db2.gz YNXOJINPNQGFSP-CXAGYDPISA-N 1 0 322.380 3.515 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893179355 1022168329 /nfs/dbraw/zinc/16/83/29/1022168329.db2.gz PJXRIZJDGBHKSA-VIFPVBQESA-N 1 0 323.780 3.746 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C/C(=C/F)CCc2ccc(F)cc2)C1 ZINC001168980638 1022197959 /nfs/dbraw/zinc/19/79/59/1022197959.db2.gz FDNSZEFTOILCFA-YLJPPSQVSA-N 1 0 324.371 3.647 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C(F)(F)F ZINC001168979246 1022197969 /nfs/dbraw/zinc/19/79/69/1022197969.db2.gz XSPQUOUGRDIBQX-OLZOCXBDSA-N 1 0 316.323 3.549 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC001168958319 1022200735 /nfs/dbraw/zinc/20/07/35/1022200735.db2.gz MRYSBMVCTYWCDB-CRAIPNDOSA-N 1 0 310.397 3.811 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cc(Cl)ccc2Cl)C1 ZINC001168964666 1022201413 /nfs/dbraw/zinc/20/14/13/1022201413.db2.gz VBLMDCLHBRLTCZ-GXFFZTMASA-N 1 0 317.216 3.571 20 5 DHBDRO Cc1c(C[N@@H+]2CCCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000609322704 1022202121 /nfs/dbraw/zinc/20/21/21/1022202121.db2.gz JBTPUJNQUZRLTR-UHFFFAOYSA-N 1 0 302.399 3.913 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2c(Cl)cccc2Cl)C1 ZINC001168966539 1022203243 /nfs/dbraw/zinc/20/32/43/1022203243.db2.gz JEEQGZIJXWQZBR-WDEREUQCSA-N 1 0 317.216 3.571 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc2c(c1)CCCC2 ZINC001168968382 1022203433 /nfs/dbraw/zinc/20/34/33/1022203433.db2.gz YLEXYJDLCSUWIZ-IYOUNJFTSA-N 1 0 302.418 3.661 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2c(Cl)cccc2Cl)C1 ZINC001168966538 1022203759 /nfs/dbraw/zinc/20/37/59/1022203759.db2.gz JEEQGZIJXWQZBR-QWRGUYRKSA-N 1 0 317.216 3.571 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001168973519 1022206218 /nfs/dbraw/zinc/20/62/18/1022206218.db2.gz OWGPLCBSYWIAFU-WDMOLILDSA-N 1 0 316.323 3.801 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(F)c3)CCC2)C1 ZINC001168997023 1022209845 /nfs/dbraw/zinc/20/98/45/1022209845.db2.gz BBEDGIRLQDAHOF-NVXWUHKLSA-N 1 0 320.408 3.574 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CC2CC2)c2ccc(F)cc2)C1 ZINC001168997566 1022211181 /nfs/dbraw/zinc/21/11/81/1022211181.db2.gz DLZHWHUKDLZKSI-KBRIMQKVSA-N 1 0 306.381 3.702 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1Cl ZINC001169003566 1022212570 /nfs/dbraw/zinc/21/25/70/1022212570.db2.gz OEEPAAHQOFDBFR-MXWKQRLJSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC001169012838 1022215088 /nfs/dbraw/zinc/21/50/88/1022215088.db2.gz SEWUFRZNKIRYOK-SUMWQHHRSA-N 1 0 322.836 3.965 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3cccc(Cl)c3)CC2)C1 ZINC001169011561 1022215556 /nfs/dbraw/zinc/21/55/56/1022215556.db2.gz KZIRHQBBRVCFSM-GUYCJALGSA-N 1 0 322.836 3.965 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@@H]2c2ccccc2F)C1 ZINC001169030233 1022219487 /nfs/dbraw/zinc/21/94/87/1022219487.db2.gz XAZPJCZDPWPBBP-JKIFEVAISA-N 1 0 306.381 3.798 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC001169039253 1022221431 /nfs/dbraw/zinc/22/14/31/1022221431.db2.gz OPOQLNQEQRNXCK-JZXOWHBKSA-N 1 0 320.408 3.526 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Cc3cccc(F)c3)CC2)C1 ZINC001169039292 1022222087 /nfs/dbraw/zinc/22/20/87/1022222087.db2.gz PHRVDYATTPULCG-WMZOPIPTSA-N 1 0 320.408 3.526 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Sc3ccccc3)CC2)C1 ZINC001169039967 1022224665 /nfs/dbraw/zinc/22/46/65/1022224665.db2.gz WLIWZDHJDBLYAO-GJZGRUSLSA-N 1 0 320.458 3.689 20 5 DHBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169048698 1022228656 /nfs/dbraw/zinc/22/86/56/1022228656.db2.gz AQLFKEAVWFOZLV-QMTHXVAHSA-N 1 0 317.216 3.871 20 5 DHBDRO CC[C@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104688356 1022231542 /nfs/dbraw/zinc/23/15/42/1022231542.db2.gz DCCOZHUQXXINHH-LBPRGKRZSA-N 1 0 303.362 3.523 20 5 DHBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169144965 1022275525 /nfs/dbraw/zinc/27/55/25/1022275525.db2.gz BMVFAKJZDPRNIR-SJCJKPOMSA-N 1 0 323.412 3.998 20 5 DHBDRO C[N@H+](CCCCC1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000282143266 1022279955 /nfs/dbraw/zinc/27/99/55/1022279955.db2.gz ZTLNLVKTFZPEPD-UHFFFAOYSA-N 1 0 306.406 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800984 1022352136 /nfs/dbraw/zinc/35/21/36/1022352136.db2.gz ZJHDIHBMHQWWKD-QGZVFWFLSA-N 1 0 314.410 3.885 20 5 DHBDRO C[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c2ccccc21 ZINC001169381817 1022379856 /nfs/dbraw/zinc/37/98/56/1022379856.db2.gz TXRBYKZHCVRUJU-BZNIZROVSA-N 1 0 309.369 3.858 20 5 DHBDRO CC[C@H](COC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000610010020 1022402261 /nfs/dbraw/zinc/40/22/61/1022402261.db2.gz PQOAVNLCENMCDJ-GFCCVEGCSA-N 1 0 320.414 3.838 20 5 DHBDRO CCc1ccc(CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC001169666403 1022493488 /nfs/dbraw/zinc/49/34/88/1022493488.db2.gz LICVHUJQALTOOZ-UHFFFAOYSA-N 1 0 312.413 3.874 20 5 DHBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(C)c([N+](=O)[O-])cn1 ZINC001169699597 1022509603 /nfs/dbraw/zinc/50/96/03/1022509603.db2.gz ZTBWWPHMRTVGAW-CQSZACIVSA-N 1 0 312.373 3.538 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000509436464 1022556531 /nfs/dbraw/zinc/55/65/31/1022556531.db2.gz CCXQFZOPLHMLOR-AFCDSYGPSA-N 1 0 324.380 3.591 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)CCCC2 ZINC000417355130 1022700237 /nfs/dbraw/zinc/70/02/37/1022700237.db2.gz FJVLISBYDCNOBR-DHSIGJKJSA-N 1 0 318.417 3.503 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CC(C)C)OC)cc1[N+](=O)[O-] ZINC000417368373 1022711085 /nfs/dbraw/zinc/71/10/85/1022711085.db2.gz OOWSIMIKTHRPCZ-DZGCQCFKSA-N 1 0 324.421 3.705 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417401253 1022727846 /nfs/dbraw/zinc/72/78/46/1022727846.db2.gz LGUXIYFBEIHZJG-MSOLQXFVSA-N 1 0 312.369 3.907 20 5 DHBDRO CC[C@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000616487746 1022735214 /nfs/dbraw/zinc/73/52/14/1022735214.db2.gz XHWCKVPJZGJFAT-KRWDZBQOSA-N 1 0 316.357 3.514 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000068836925 1022769317 /nfs/dbraw/zinc/76/93/17/1022769317.db2.gz DJOYLPZSBUOPCW-MRXNPFEDSA-N 1 0 319.792 3.963 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1NCc1cccc(Cn2ccnc2)c1 ZINC000080553370 1022769964 /nfs/dbraw/zinc/76/99/64/1022769964.db2.gz FKPPHLUNGPVVQZ-UHFFFAOYSA-N 1 0 322.368 3.760 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1NC1CC[NH+](CC2CC2)CC1 ZINC000804359701 1022816655 /nfs/dbraw/zinc/81/66/55/1022816655.db2.gz CQWBKRLPRJYNNU-UHFFFAOYSA-N 1 0 309.797 3.535 20 5 DHBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccc1F ZINC000769029613 1023071360 /nfs/dbraw/zinc/07/13/60/1023071360.db2.gz LYDHWJSDCPBUGK-RMKNXTFCSA-N 1 0 314.360 3.922 20 5 DHBDRO Cc1ccc(C[N@H+](C)CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000769030581 1023072033 /nfs/dbraw/zinc/07/20/33/1023072033.db2.gz VUDBCXIIWLJNTD-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc2ccccc21 ZINC000783254615 1023099338 /nfs/dbraw/zinc/09/93/38/1023099338.db2.gz HFOHXRFHNQGWDC-SFHVURJKSA-N 1 0 324.384 3.685 20 5 DHBDRO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])c2cnccc12)C(C)C ZINC000015131541 1023199004 /nfs/dbraw/zinc/19/90/04/1023199004.db2.gz VGWWKCDRQHMUDK-UHFFFAOYSA-N 1 0 316.405 3.674 20 5 DHBDRO CC[C@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000769786566 1023214608 /nfs/dbraw/zinc/21/46/08/1023214608.db2.gz JZZPWRIQQOTGLY-SFHVURJKSA-N 1 0 324.384 3.886 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCSC(F)(F)F)cccc1[N+](=O)[O-] ZINC000178418627 1023595776 /nfs/dbraw/zinc/59/57/76/1023595776.db2.gz JVLRIWXEDKIKHD-SECBINFHSA-N 1 0 308.325 3.807 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000313740639 1023636820 /nfs/dbraw/zinc/63/68/20/1023636820.db2.gz ASQXRPRHYOMSKO-NSHDSACASA-N 1 0 314.817 3.566 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC(C(F)F)C2)cc(C(F)(F)F)c1 ZINC000787297038 1023780325 /nfs/dbraw/zinc/78/03/25/1023780325.db2.gz YTHPXNHQLQTVQF-UHFFFAOYSA-N 1 0 324.249 3.747 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1c(C)noc1C ZINC000787405478 1023793662 /nfs/dbraw/zinc/79/36/62/1023793662.db2.gz CHGCTOQKYDALQR-WQLSENKSSA-N 1 0 315.373 3.735 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(C)s1 ZINC000049183464 1023839254 /nfs/dbraw/zinc/83/92/54/1023839254.db2.gz CHORQBPCEXZSSC-LLVKDONJSA-N 1 0 306.387 3.824 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1F ZINC000788487021 1023893425 /nfs/dbraw/zinc/89/34/25/1023893425.db2.gz BCFCSAIJRVFGET-LSDHHAIUSA-N 1 0 310.394 3.594 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788499519 1023895902 /nfs/dbraw/zinc/89/59/02/1023895902.db2.gz VNNZOXPYNZJBJM-SJKOYZFVSA-N 1 0 311.385 3.905 20 5 DHBDRO C[C@H]([NH2+]CCCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788509734 1023897828 /nfs/dbraw/zinc/89/78/28/1023897828.db2.gz ZHKSDHASCFIDJK-AWEZNQCLSA-N 1 0 313.401 3.851 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788521191 1023900249 /nfs/dbraw/zinc/90/02/49/1023900249.db2.gz SZXLWQJAIPKBMM-CYBMUJFWSA-N 1 0 313.401 3.805 20 5 DHBDRO CC(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000788534635 1023908119 /nfs/dbraw/zinc/90/81/19/1023908119.db2.gz HMGTUTMKFZWOFC-HOTGVXAUSA-N 1 0 320.414 3.504 20 5 DHBDRO C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788642844 1023918042 /nfs/dbraw/zinc/91/80/42/1023918042.db2.gz DZYAFQGVQJSSPY-MNOVXSKESA-N 1 0 305.403 3.520 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788760391 1023930347 /nfs/dbraw/zinc/93/03/47/1023930347.db2.gz ANFPCJVXASTSJA-SECBINFHSA-N 1 0 323.755 3.820 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788748746 1023934523 /nfs/dbraw/zinc/93/45/23/1023934523.db2.gz AFUBVUXQOFFCGE-IINYFYTJSA-N 1 0 317.414 3.967 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788748745 1023934707 /nfs/dbraw/zinc/93/47/07/1023934707.db2.gz AFUBVUXQOFFCGE-HZMBPMFUSA-N 1 0 317.414 3.967 20 5 DHBDRO C[C@@H]([NH2+][C@H]1C[C@H](c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788800999 1023935655 /nfs/dbraw/zinc/93/56/55/1023935655.db2.gz KEIMCMKRIVSJBT-DAXOMENPSA-N 1 0 311.385 3.774 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788822285 1023940534 /nfs/dbraw/zinc/94/05/34/1023940534.db2.gz LHIPDRDMNCXPDO-GFCCVEGCSA-N 1 0 324.384 3.552 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788822021 1023941103 /nfs/dbraw/zinc/94/11/03/1023941103.db2.gz HXGGHRZTSKQJTL-WDEREUQCSA-N 1 0 313.348 3.653 20 5 DHBDRO CCC[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH3+])(CC)CC1 ZINC000925758969 1024003017 /nfs/dbraw/zinc/00/30/17/1024003017.db2.gz JAFCOMCQMWJPFH-MRXNPFEDSA-N 1 0 305.422 3.639 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000266516139 1024041486 /nfs/dbraw/zinc/04/14/86/1024041486.db2.gz GQVXGZNBQFIFSI-OAHLLOKOSA-N 1 0 317.433 3.606 20 5 DHBDRO Cc1cc([C@@H](C)[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)c(C)s1 ZINC000876913587 1033181295 /nfs/dbraw/zinc/18/12/95/1033181295.db2.gz JELTZBPNALOOHP-QFWMXSHPSA-N 1 0 320.418 3.524 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000789519150 1024105730 /nfs/dbraw/zinc/10/57/30/1024105730.db2.gz WVHJAJJBYTWATO-NSHDSACASA-N 1 0 305.765 3.802 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)COCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000268807110 1024166059 /nfs/dbraw/zinc/16/60/59/1024166059.db2.gz ACFYPBOTYIAQHU-MFKMUULPSA-N 1 0 320.311 3.603 20 5 DHBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268905355 1024191214 /nfs/dbraw/zinc/19/12/14/1024191214.db2.gz LRXWVSSTXAUUGM-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000130727359 1024210375 /nfs/dbraw/zinc/21/03/75/1024210375.db2.gz MIOFOBHZNVTOQZ-ZWKOTPCHSA-N 1 0 314.385 3.678 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCn1cnc2ccccc21 ZINC000531697697 1024275096 /nfs/dbraw/zinc/27/50/96/1024275096.db2.gz QGOKUZBYTHDEEG-AWEZNQCLSA-N 1 0 324.384 3.604 20 5 DHBDRO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000531717332 1024289638 /nfs/dbraw/zinc/28/96/38/1024289638.db2.gz HEAMKEVRCSROAI-CHWSQXEVSA-N 1 0 302.378 3.784 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CC(F)(F)C1 ZINC000883255086 1024323074 /nfs/dbraw/zinc/32/30/74/1024323074.db2.gz KPTUVORRTHSJIL-GFCCVEGCSA-N 1 0 312.360 3.941 20 5 DHBDRO COc1ccc(C2CC2)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000883258420 1024329750 /nfs/dbraw/zinc/32/97/50/1024329750.db2.gz ALEYDHLZXDQNKX-UHFFFAOYSA-N 1 0 312.369 3.771 20 5 DHBDRO C[C@@H](CCOCc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000342249636 1024335999 /nfs/dbraw/zinc/33/59/99/1024335999.db2.gz PBSVTZWUZHQJJZ-ZDUSSCGKSA-N 1 0 320.414 3.741 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCC2(F)F)c(F)c1 ZINC000883266413 1024340424 /nfs/dbraw/zinc/34/04/24/1024340424.db2.gz ZOBKQGZZBAZFQC-NSHDSACASA-N 1 0 302.296 3.649 20 5 DHBDRO C[C@@H](CCCc1cccnc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000453116034 1024342764 /nfs/dbraw/zinc/34/27/64/1024342764.db2.gz XPXDLBQKLFMBGV-HNNXBMFYSA-N 1 0 313.401 3.533 20 5 DHBDRO C[C@H]([NH2+]CC[C@H]1CCCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883274728 1024343904 /nfs/dbraw/zinc/34/39/04/1024343904.db2.gz SRIUEGOVEOHLMK-CMPLNLGQSA-N 1 0 313.348 3.653 20 5 DHBDRO COc1ccccc1CC(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000105495046 1024392177 /nfs/dbraw/zinc/39/21/77/1024392177.db2.gz UQCKDTVDOVREMS-UHFFFAOYSA-N 1 0 320.414 3.776 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)CCCc2cccnc2)cccc1[N+](=O)[O-] ZINC000453217985 1024406943 /nfs/dbraw/zinc/40/69/43/1024406943.db2.gz RRONVPQNFBTNRX-AWEZNQCLSA-N 1 0 313.401 3.799 20 5 DHBDRO COc1c(C)cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000791000025 1024416538 /nfs/dbraw/zinc/41/65/38/1024416538.db2.gz RHXIRVUEUJSVLC-UHFFFAOYSA-N 1 0 314.385 3.818 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000270701518 1024421601 /nfs/dbraw/zinc/42/16/01/1024421601.db2.gz YHAWKWJLLDVYGQ-LKEBIXNSSA-N 1 0 318.417 3.791 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2c3ccccc3NC2(C)C)cc1[N+](=O)[O-] ZINC000883464633 1024441296 /nfs/dbraw/zinc/44/12/96/1024441296.db2.gz SDAAENBVAQIGHT-KRWDZBQOSA-N 1 0 311.385 3.938 20 5 DHBDRO CC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453367958 1024490937 /nfs/dbraw/zinc/49/09/37/1024490937.db2.gz MOZJWUTUGVYFCW-IRXDYDNUSA-N 1 0 304.390 3.548 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000271571835 1024542847 /nfs/dbraw/zinc/54/28/47/1024542847.db2.gz YUKWFGOFQNWHLQ-ZBFHGGJFSA-N 1 0 318.417 3.607 20 5 DHBDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000453580728 1024543057 /nfs/dbraw/zinc/54/30/57/1024543057.db2.gz LBIOAPTWSJBQEE-NSHDSACASA-N 1 0 312.797 3.543 20 5 DHBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCO1 ZINC000271569226 1024543522 /nfs/dbraw/zinc/54/35/22/1024543522.db2.gz PKCQJNHSAGAGPQ-UWWQBHOKSA-N 1 0 320.433 3.709 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000532204588 1024577687 /nfs/dbraw/zinc/57/76/87/1024577687.db2.gz GOVJTYSJWXIDMM-AWEZNQCLSA-N 1 0 317.433 3.571 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1[C@@H](C)CCC[C@@H]1C ZINC000532231288 1024583359 /nfs/dbraw/zinc/58/33/59/1024583359.db2.gz JVWCBXJMUOBKHJ-JYJNAYRXSA-N 1 0 319.449 3.817 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CSc3ccccc32)cc1 ZINC000317728923 1024632828 /nfs/dbraw/zinc/63/28/28/1024632828.db2.gz OERFYFOPQKXLOV-CQSZACIVSA-N 1 0 314.410 3.616 20 5 DHBDRO CCc1noc(CC)c1C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000166981418 1024671727 /nfs/dbraw/zinc/67/17/27/1024671727.db2.gz CMVPUPURGXKUBR-HNNXBMFYSA-N 1 0 317.389 3.949 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170297824 1024730336 /nfs/dbraw/zinc/73/03/36/1024730336.db2.gz SSOQAFNUMOLYBH-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCc2nccs2)c2cc([N+](=O)[O-])ccc21 ZINC000279106599 1024732726 /nfs/dbraw/zinc/73/27/26/1024732726.db2.gz OWUCVFLMVRKHBC-AWEZNQCLSA-N 1 0 317.414 3.606 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170336312 1024745912 /nfs/dbraw/zinc/74/59/12/1024745912.db2.gz WGJFXUKGLQQJSZ-DYVFJYSZSA-N 1 0 324.396 3.749 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170336310 1024747289 /nfs/dbraw/zinc/74/72/89/1024747289.db2.gz WGJFXUKGLQQJSZ-CXAGYDPISA-N 1 0 324.396 3.749 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001170306602 1024748756 /nfs/dbraw/zinc/74/87/56/1024748756.db2.gz YJKALVSYXQWGPQ-OQUILHJVSA-N 1 0 318.417 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@H+](C)CC2CCCC2)c([N+](=O)[O-])c1 ZINC001170352805 1024748813 /nfs/dbraw/zinc/74/88/13/1024748813.db2.gz QRSKCHYHAHDOJI-CYBMUJFWSA-N 1 0 306.406 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC001170354509 1024751123 /nfs/dbraw/zinc/75/11/23/1024751123.db2.gz MLSJOLTUOUYIPX-XJKSGUPXSA-N 1 0 306.406 3.655 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC001170345419 1024757042 /nfs/dbraw/zinc/75/70/42/1024757042.db2.gz KEAITHCXTSCCPG-CYBMUJFWSA-N 1 0 306.406 3.656 20 5 DHBDRO CC(C)[N@H+](CC1CC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728896317 1024774569 /nfs/dbraw/zinc/77/45/69/1024774569.db2.gz HNWKBMJTONBMAP-UHFFFAOYSA-N 1 0 314.389 3.536 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CC2(C)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279180223 1024775036 /nfs/dbraw/zinc/77/50/36/1024775036.db2.gz VMINFBYXFRFHHJ-MRXNPFEDSA-N 1 0 318.417 3.724 20 5 DHBDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000342685396 1024851902 /nfs/dbraw/zinc/85/19/02/1024851902.db2.gz HPQVPCDXLMLTKL-XHSDSOJGSA-N 1 0 317.433 3.603 20 5 DHBDRO Cc1ccc(CCC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000793009895 1024863034 /nfs/dbraw/zinc/86/30/34/1024863034.db2.gz NLRIWCILHOQHQH-UHFFFAOYSA-N 1 0 319.792 3.674 20 5 DHBDRO CC(C)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000269682205 1024899226 /nfs/dbraw/zinc/89/92/26/1024899226.db2.gz RIPQAVBZCRBMOA-ROUUACIJSA-N 1 0 314.385 3.615 20 5 DHBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000542053493 1024939492 /nfs/dbraw/zinc/93/94/92/1024939492.db2.gz URIMHSUVFAEPFD-QEJZJMRPSA-N 1 0 304.390 3.614 20 5 DHBDRO Cc1c(C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)cccc1[N+](=O)[O-] ZINC000353192299 1024979004 /nfs/dbraw/zinc/97/90/04/1024979004.db2.gz LLBRHXLODOAYDA-LBPRGKRZSA-N 1 0 310.357 3.630 20 5 DHBDRO C[C@H]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000793346717 1024989302 /nfs/dbraw/zinc/98/93/02/1024989302.db2.gz JCJNTJQNDGBBQB-LSDHHAIUSA-N 1 0 317.433 3.589 20 5 DHBDRO C[C@H](CCO)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000121320433 1025084897 /nfs/dbraw/zinc/08/48/97/1025084897.db2.gz UWFKQAMVVMANEY-VXGBXAGGSA-N 1 0 320.414 3.745 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1Cl ZINC000793624439 1025135489 /nfs/dbraw/zinc/13/54/89/1025135489.db2.gz NDHKJTGTYIUSRH-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO Cc1ccc(CN2CC(C)(C)[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000353699348 1025203988 /nfs/dbraw/zinc/20/39/88/1025203988.db2.gz RQTXSNDIBFWMCC-QGZVFWFLSA-N 1 0 311.385 3.881 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000927016865 1033271248 /nfs/dbraw/zinc/27/12/48/1033271248.db2.gz LRAKTARQSROVJO-CJNGLKHVSA-N 1 0 304.390 3.737 20 5 DHBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000897451939 1025342558 /nfs/dbraw/zinc/34/25/58/1025342558.db2.gz RZOJHKQJZNMHPY-FNORWQNLSA-N 1 0 318.417 3.650 20 5 DHBDRO COCc1csc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897461154 1025361585 /nfs/dbraw/zinc/36/15/85/1025361585.db2.gz MCGVFHFMRWSAAL-GFCCVEGCSA-N 1 0 320.414 3.696 20 5 DHBDRO C[C@H](C[NH2+]Cc1scnc1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897463088 1025366450 /nfs/dbraw/zinc/36/64/50/1025366450.db2.gz AZAPQGJCVUXXKG-LLVKDONJSA-N 1 0 317.414 3.822 20 5 DHBDRO Cc1nc(C)c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897470192 1025458473 /nfs/dbraw/zinc/45/84/73/1025458473.db2.gz ZUWDQXQEYIHOJH-SNVBAGLBSA-N 1 0 305.403 3.561 20 5 DHBDRO COc1cccc(NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000355347117 1025685134 /nfs/dbraw/zinc/68/51/34/1025685134.db2.gz WNBXSLCONIPZDS-UHFFFAOYSA-N 1 0 321.421 3.527 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H](C)c1cscn1 ZINC000573626199 1025737229 /nfs/dbraw/zinc/73/72/29/1025737229.db2.gz YOTZRZHSPZKXRZ-BCMYLCSRSA-N 1 0 303.387 3.805 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)cccc1[N+](=O)[O-] ZINC000886700505 1025810187 /nfs/dbraw/zinc/81/01/87/1025810187.db2.gz ATLWHEMQPIUVCJ-UONOGXRCSA-N 1 0 304.390 3.513 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cccc1[N+](=O)[O-] ZINC000806162377 1025820833 /nfs/dbraw/zinc/82/08/33/1025820833.db2.gz VUJXEHYQKHIIIL-ZDUSSCGKSA-N 1 0 317.776 3.729 20 5 DHBDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512399 1026051890 /nfs/dbraw/zinc/05/18/90/1026051890.db2.gz DBTCWWDRCYYGHY-MRXNPFEDSA-N 1 0 312.369 3.907 20 5 DHBDRO COc1ccccc1CC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000513441814 1026508686 /nfs/dbraw/zinc/50/86/86/1026508686.db2.gz BKXXIEVWGQKLDS-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COc3ccccc32)cc1Cl ZINC000809790379 1026628118 /nfs/dbraw/zinc/62/81/18/1026628118.db2.gz CYSXMYYOBBYRIM-LBPRGKRZSA-N 1 0 318.760 3.514 20 5 DHBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000366477636 1026767929 /nfs/dbraw/zinc/76/79/29/1026767929.db2.gz OCVBGGOIBGKAPT-HNNXBMFYSA-N 1 0 312.797 3.639 20 5 DHBDRO CCSCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168132382 1026812374 /nfs/dbraw/zinc/81/23/74/1026812374.db2.gz VSDLMDYPLVIAGT-SNVBAGLBSA-N 1 0 302.827 3.870 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cccc([N+](=O)[O-])c1 ZINC000421873525 1027083127 /nfs/dbraw/zinc/08/31/27/1027083127.db2.gz HQWLANLBDSYREK-JSGCOSHPSA-N 1 0 306.431 3.779 20 5 DHBDRO Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000811812189 1027090783 /nfs/dbraw/zinc/09/07/83/1027090783.db2.gz OFERYRMZHDYSHT-MNOVXSKESA-N 1 0 309.797 3.594 20 5 DHBDRO COCC1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000295677370 1027387422 /nfs/dbraw/zinc/38/74/22/1027387422.db2.gz KQNCXXMVANTAQZ-VQCLRJIVSA-N 1 0 306.406 3.759 20 5 DHBDRO CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H](C)OC ZINC000812807593 1027430297 /nfs/dbraw/zinc/43/02/97/1027430297.db2.gz RVWFJNJKOKJONP-SECBINFHSA-N 1 0 321.204 3.758 20 5 DHBDRO Cc1noc(C[N@H+]2CCC[C@@H]2[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000932274827 1027439506 /nfs/dbraw/zinc/43/95/06/1027439506.db2.gz KQUFMIWVWIPPCU-SWLSCSKDSA-N 1 0 315.373 3.659 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1COc3ccccc3C1)CCC2 ZINC000575081585 1027452983 /nfs/dbraw/zinc/45/29/83/1027452983.db2.gz FIAYCVMUSQDNLU-QAPCUYQASA-N 1 0 324.380 3.566 20 5 DHBDRO Cc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000562489000 1027458092 /nfs/dbraw/zinc/45/80/92/1027458092.db2.gz PGJKDFVAOXHDJY-GFCCVEGCSA-N 1 0 302.296 3.678 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c(F)c1 ZINC000296047860 1027526995 /nfs/dbraw/zinc/52/69/95/1027526995.db2.gz TXDBVNYAIYJALN-CQSZACIVSA-N 1 0 315.348 3.509 20 5 DHBDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000296076720 1027533450 /nfs/dbraw/zinc/53/34/50/1027533450.db2.gz XAFZZWRJBJSLJI-QWHCGFSZSA-N 1 0 302.378 3.531 20 5 DHBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000296076713 1027535118 /nfs/dbraw/zinc/53/51/18/1027535118.db2.gz XAFZZWRJBJSLJI-OLZOCXBDSA-N 1 0 302.378 3.531 20 5 DHBDRO C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423449244 1027547078 /nfs/dbraw/zinc/54/70/78/1027547078.db2.gz REUFQYQBIJWJNL-WOPDTQHZSA-N 1 0 319.430 3.710 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000576109784 1027563433 /nfs/dbraw/zinc/56/34/33/1027563433.db2.gz KHRNKXJGJSQZIT-AWEZNQCLSA-N 1 0 313.401 3.927 20 5 DHBDRO CCC[C@@H](N[C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423533884 1027578662 /nfs/dbraw/zinc/57/86/62/1027578662.db2.gz UNPSDNPEBIVCLN-IAGOWNOFSA-N 1 0 305.422 3.543 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000778949886 1027633301 /nfs/dbraw/zinc/63/33/01/1027633301.db2.gz DFQFQJNWURGQOX-QWRGUYRKSA-N 1 0 302.296 3.848 20 5 DHBDRO Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000577032142 1027694768 /nfs/dbraw/zinc/69/47/68/1027694768.db2.gz IIZMLKCMNMFRQS-ZDUSSCGKSA-N 1 0 316.405 3.592 20 5 DHBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CC1(C)C ZINC000577298475 1027743571 /nfs/dbraw/zinc/74/35/71/1027743571.db2.gz OECBDSUQLXKAOB-XHDPSFHLSA-N 1 0 301.390 3.643 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000933492628 1027746400 /nfs/dbraw/zinc/74/64/00/1027746400.db2.gz DWDCLCLBXBLQRI-LLVKDONJSA-N 1 0 316.332 3.520 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335924 1027970625 /nfs/dbraw/zinc/97/06/25/1027970625.db2.gz IAHMTCQSNRWURC-OLZOCXBDSA-N 1 0 317.414 3.677 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000601305428 1028072020 /nfs/dbraw/zinc/07/20/20/1028072020.db2.gz XRFYXPKZWHKNMY-ZDUSSCGKSA-N 1 0 312.369 3.518 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934836989 1028123537 /nfs/dbraw/zinc/12/35/37/1028123537.db2.gz QHVVXEJQXOOQKY-OAGGEKHMSA-N 1 0 318.417 3.794 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000564248199 1028381163 /nfs/dbraw/zinc/38/11/63/1028381163.db2.gz XHWNSHYZXQUMIN-GOEBONIOSA-N 1 0 320.433 3.607 20 5 DHBDRO COCC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000579374408 1028394421 /nfs/dbraw/zinc/39/44/21/1028394421.db2.gz REDLTHJSMWIBDK-LSDHHAIUSA-N 1 0 316.357 3.543 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000449216692 1028459705 /nfs/dbraw/zinc/45/97/05/1028459705.db2.gz UOKJQNSCRFOFDQ-XHDPSFHLSA-N 1 0 317.389 3.872 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccc2[nH]ccc21 ZINC000449306096 1028528504 /nfs/dbraw/zinc/52/85/04/1028528504.db2.gz JOWSYLYECTVZCT-AWEZNQCLSA-N 1 0 323.396 3.839 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000369882196 1028541983 /nfs/dbraw/zinc/54/19/83/1028541983.db2.gz JKCXDEUZBCIXJZ-FZKQIMNGSA-N 1 0 312.369 3.559 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000369882195 1028542672 /nfs/dbraw/zinc/54/26/72/1028542672.db2.gz JKCXDEUZBCIXJZ-ACJLOTCBSA-N 1 0 312.369 3.559 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000815564998 1028546838 /nfs/dbraw/zinc/54/68/38/1028546838.db2.gz ZUAUFUITJSTCTH-MNOVXSKESA-N 1 0 305.403 3.959 20 5 DHBDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000815566871 1028547122 /nfs/dbraw/zinc/54/71/22/1028547122.db2.gz HUOJYCJVLUGVMR-NWDGAFQWSA-N 1 0 317.364 3.770 20 5 DHBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449487931 1028696563 /nfs/dbraw/zinc/69/65/63/1028696563.db2.gz ZOVILNYQQILDJP-YPMHNXCESA-N 1 0 317.414 3.854 20 5 DHBDRO CC(C)[C@@H]1C[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000449497735 1028710432 /nfs/dbraw/zinc/71/04/32/1028710432.db2.gz RKWYZDQIZVYMCF-CBCNTLDJSA-N 1 0 318.417 3.649 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H](C)O ZINC000449546769 1028762977 /nfs/dbraw/zinc/76/29/77/1028762977.db2.gz WIPCJSCNURLFBC-FZMZJTMJSA-N 1 0 320.414 3.572 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](C)O ZINC000449546767 1028763040 /nfs/dbraw/zinc/76/30/40/1028763040.db2.gz WIPCJSCNURLFBC-BXUZGUMPSA-N 1 0 320.414 3.572 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@H](c3cccs3)C2)c1 ZINC000449618300 1028854654 /nfs/dbraw/zinc/85/46/54/1028854654.db2.gz AWBDWEVOCXYGDG-ZFWWWQNUSA-N 1 0 318.398 3.666 20 5 DHBDRO CN1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000449646212 1028877917 /nfs/dbraw/zinc/87/79/17/1028877917.db2.gz BAFDOSVZUHLWKK-QGZVFWFLSA-N 1 0 311.385 3.656 20 5 DHBDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449673283 1028899162 /nfs/dbraw/zinc/89/91/62/1028899162.db2.gz ZCWKVDXDAWFBSX-LLVKDONJSA-N 1 0 320.776 3.675 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000449735341 1028958684 /nfs/dbraw/zinc/95/86/84/1028958684.db2.gz TWACHGYBKASDFB-MRXNPFEDSA-N 1 0 306.431 3.622 20 5 DHBDRO COCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000816638842 1028969040 /nfs/dbraw/zinc/96/90/40/1028969040.db2.gz ZIIISKXNQJIMFN-UHFFFAOYSA-N 1 0 312.797 3.545 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCOCC2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000568007887 1028991607 /nfs/dbraw/zinc/99/16/07/1028991607.db2.gz SNILIVIPZLWYPD-QGZVFWFLSA-N 1 0 318.417 3.724 20 5 DHBDRO CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000568817463 1029128987 /nfs/dbraw/zinc/12/89/87/1029128987.db2.gz PYIBYSOECFDUMD-SUMWQHHRSA-N 1 0 319.449 3.636 20 5 DHBDRO CNC(=O)[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000817414088 1029152583 /nfs/dbraw/zinc/15/25/83/1029152583.db2.gz BVSXHJHVJFZIAY-KRWDZBQOSA-N 1 0 318.420 3.561 20 5 DHBDRO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H](C)CO ZINC000569151297 1029184336 /nfs/dbraw/zinc/18/43/36/1029184336.db2.gz LVMBRZLNHKMRFX-LBPRGKRZSA-N 1 0 320.414 3.526 20 5 DHBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000190928047 1029216406 /nfs/dbraw/zinc/21/64/06/1029216406.db2.gz AQVCGGMMBDVVCH-QWHCGFSZSA-N 1 0 316.357 3.512 20 5 DHBDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000155354197 1029227268 /nfs/dbraw/zinc/22/72/68/1029227268.db2.gz YHNNYBLOPAGSDI-AWEZNQCLSA-N 1 0 308.422 3.743 20 5 DHBDRO Cc1cnc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000374231263 1029248598 /nfs/dbraw/zinc/24/85/98/1029248598.db2.gz VGHIXKLONUKQBH-AWEZNQCLSA-N 1 0 317.414 3.739 20 5 DHBDRO C[NH+](C)CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)C ZINC000569941401 1029288237 /nfs/dbraw/zinc/28/82/37/1029288237.db2.gz OLYOXWWGQTXGPW-RDJZCZTQSA-N 1 0 319.449 3.538 20 5 DHBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186832588 1029504628 /nfs/dbraw/zinc/50/46/28/1029504628.db2.gz OKWGBXASYPIDSM-JQFCIGGWSA-N 1 0 306.406 3.839 20 5 DHBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1=CCCCC1 ZINC000819238141 1029510036 /nfs/dbraw/zinc/51/00/36/1029510036.db2.gz BBIJBWGCAADTFC-QGZVFWFLSA-N 1 0 318.417 3.744 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000450597481 1029569029 /nfs/dbraw/zinc/56/90/29/1029569029.db2.gz HVBHVTXIOALXEZ-GFCCVEGCSA-N 1 0 310.344 3.995 20 5 DHBDRO CO[C@@H](CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000530330873 1029819494 /nfs/dbraw/zinc/81/94/94/1029819494.db2.gz ICWIAAWUJWURFE-MFKMUULPSA-N 1 0 320.311 3.521 20 5 DHBDRO CCC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000451275810 1029834505 /nfs/dbraw/zinc/83/45/05/1029834505.db2.gz NITYJGXOZGFHBS-UHFFFAOYSA-N 1 0 319.405 3.544 20 5 DHBDRO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000451412481 1029871134 /nfs/dbraw/zinc/87/11/34/1029871134.db2.gz WRDJUKOEVREVJV-YPMHNXCESA-N 1 0 316.323 3.800 20 5 DHBDRO CCO[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000451542040 1029907765 /nfs/dbraw/zinc/90/77/65/1029907765.db2.gz MRHMNXWELSJVMV-GRDNDAEWSA-N 1 0 306.406 3.711 20 5 DHBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)C[N@@H+]1C1CC1 ZINC000865600424 1029932840 /nfs/dbraw/zinc/93/28/40/1029932840.db2.gz MSSCZHZOJOBLPH-ZJUUUORDSA-N 1 0 311.332 3.570 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000120823546 1030092616 /nfs/dbraw/zinc/09/26/16/1030092616.db2.gz LFFCVPDZJWDYHL-KCXAZCMYSA-N 1 0 318.373 3.741 20 5 DHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000530952918 1030094442 /nfs/dbraw/zinc/09/44/42/1030094442.db2.gz ACUZVRDGWVXWRY-FUHWJXTLSA-N 1 0 319.449 3.585 20 5 DHBDRO C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000822812647 1030132692 /nfs/dbraw/zinc/13/26/92/1030132692.db2.gz JGVMJBIFQZGUPH-KOLCDFICSA-N 1 0 303.189 3.829 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000822812648 1030132872 /nfs/dbraw/zinc/13/28/72/1030132872.db2.gz JGVMJBIFQZGUPH-MWLCHTKSSA-N 1 0 303.189 3.829 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C1CCC1 ZINC000924796937 1030189456 /nfs/dbraw/zinc/18/94/56/1030189456.db2.gz DQXPWKJSIDPGAN-QWHCGFSZSA-N 1 0 314.389 3.928 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267034 1030190694 /nfs/dbraw/zinc/19/06/94/1030190694.db2.gz YPSIRSXLIMMHRL-VHSXEESVSA-N 1 0 321.352 3.621 20 5 DHBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C12CCC2 ZINC000357793192 1030193679 /nfs/dbraw/zinc/19/36/79/1030193679.db2.gz GRJAFCZXXGBMFT-IAGOWNOFSA-N 1 0 318.417 3.683 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCSC1)CCC2 ZINC000866402777 1030280101 /nfs/dbraw/zinc/28/01/01/1030280101.db2.gz LWNTYFSFDRSKIF-BLLLJJGKSA-N 1 0 306.431 3.705 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000533353175 1030296395 /nfs/dbraw/zinc/29/63/95/1030296395.db2.gz WAPVPBGEBYQGBT-UHFFFAOYSA-N 1 0 312.369 3.643 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H]1CCCS1 ZINC000866480122 1030315116 /nfs/dbraw/zinc/31/51/16/1030315116.db2.gz FJQLTAVZSYTGFW-YPMHNXCESA-N 1 0 310.419 3.540 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCCNc3ccccc32)cc1[N+](=O)[O-] ZINC000866539554 1030359906 /nfs/dbraw/zinc/35/99/06/1030359906.db2.gz CUOHUOCPMQBGHL-QGZVFWFLSA-N 1 0 311.385 3.940 20 5 DHBDRO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000866622512 1030411622 /nfs/dbraw/zinc/41/16/22/1030411622.db2.gz NOSGOKLTYOZIBZ-CZUORRHYSA-N 1 0 304.390 3.737 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)COC3)cccc1[N+](=O)[O-] ZINC000358301450 1030429862 /nfs/dbraw/zinc/42/98/62/1030429862.db2.gz PQQDOMTXPKDKLS-CYBMUJFWSA-N 1 0 312.369 3.784 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1(Br)CC1 ZINC000925691888 1030455673 /nfs/dbraw/zinc/45/56/73/1030455673.db2.gz KPDFMQQFQOCDRZ-VHSXEESVSA-N 1 0 313.195 3.561 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CO)c1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000358376791 1030460721 /nfs/dbraw/zinc/46/07/21/1030460721.db2.gz HYRIIYYXPBAMQP-GJZGRUSLSA-N 1 0 320.414 3.739 20 5 DHBDRO COc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000291653500 1030583626 /nfs/dbraw/zinc/58/36/26/1030583626.db2.gz DBLSGZZGZUWRGV-UHFFFAOYSA-N 1 0 300.358 3.628 20 5 DHBDRO C[C@H]1C[C@@H](c2cccnc2)N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000358829493 1030642407 /nfs/dbraw/zinc/64/24/07/1030642407.db2.gz RINUEXYAJMIXIV-SJCJKPOMSA-N 1 0 315.348 3.712 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(OC)n1 ZINC000926267815 1030679261 /nfs/dbraw/zinc/67/92/61/1030679261.db2.gz ACXPPFRBZOUUFL-CQSZACIVSA-N 1 0 315.373 3.548 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC2(CCCC2)O1 ZINC000558740487 1030761102 /nfs/dbraw/zinc/76/11/02/1030761102.db2.gz LRMSQPNWYIVVJP-KRWDZBQOSA-N 1 0 318.417 3.561 20 5 DHBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000359087160 1030770926 /nfs/dbraw/zinc/77/09/26/1030770926.db2.gz WRNCPFBLEKKMQQ-CYBMUJFWSA-N 1 0 320.437 3.531 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC000926797295 1030934828 /nfs/dbraw/zinc/93/48/28/1030934828.db2.gz SDGZSKBTIGCNOF-ZDUSSCGKSA-N 1 0 314.389 3.676 20 5 DHBDRO Cc1cnc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000926961058 1031020455 /nfs/dbraw/zinc/02/04/55/1031020455.db2.gz SUKPLLUOTLGOIC-KRWDZBQOSA-N 1 0 311.385 3.774 20 5 DHBDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000927021264 1031036721 /nfs/dbraw/zinc/03/67/21/1031036721.db2.gz MLNBNSKWWKEWEU-DGCLKSJQSA-N 1 0 312.435 3.518 20 5 DHBDRO CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)C2CC2)cc1OC ZINC000359587583 1031046008 /nfs/dbraw/zinc/04/60/08/1031046008.db2.gz FJMQAILPMXFFAL-GFCCVEGCSA-N 1 0 322.405 3.623 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc2c1OCC2 ZINC000927092182 1031084976 /nfs/dbraw/zinc/08/49/76/1031084976.db2.gz ZIWXJBDOOYFCEO-ZDUSSCGKSA-N 1 0 312.369 3.689 20 5 DHBDRO CCc1onc(C)c1C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000927143398 1031117121 /nfs/dbraw/zinc/11/71/21/1031117121.db2.gz ZCQRMIGZHDVWMW-HNNXBMFYSA-N 1 0 303.362 3.695 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C2([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000927160543 1031124539 /nfs/dbraw/zinc/12/45/39/1031124539.db2.gz CRPIHKYHLHWGMB-CJNGLKHVSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1cc(NC[C@H](c2ccsc2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000359838199 1031158862 /nfs/dbraw/zinc/15/88/62/1031158862.db2.gz IXGSZOCFGLKWSG-OAHLLOKOSA-N 1 0 323.393 3.819 20 5 DHBDRO CC(C)[N@H+](CC[C@@H]1CCCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000347392385 1031216938 /nfs/dbraw/zinc/21/69/38/1031216938.db2.gz LCBMRXYNYALYEF-KRWDZBQOSA-N 1 0 306.406 3.764 20 5 DHBDRO C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000844631253 1031258948 /nfs/dbraw/zinc/25/89/48/1031258948.db2.gz MNFRMKQLYJAGSX-ZLKJLUDKSA-N 1 0 300.761 3.950 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000536696464 1031400766 /nfs/dbraw/zinc/40/07/66/1031400766.db2.gz WZGXBKCQQYYHKI-FKQXODTLSA-N 1 0 318.442 3.968 20 5 DHBDRO CSCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872038288 1031421021 /nfs/dbraw/zinc/42/10/21/1031421021.db2.gz MOOATAAILHOAIP-JTQLQIEISA-N 1 0 300.449 3.720 20 5 DHBDRO CCc1cnc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872037527 1031421613 /nfs/dbraw/zinc/42/16/13/1031421613.db2.gz CYCNSCKMIUNKJU-SNVBAGLBSA-N 1 0 323.393 3.646 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000872041550 1031425656 /nfs/dbraw/zinc/42/56/56/1031425656.db2.gz UFEFHKWOEGYAJI-FZWSLVFFSA-N 1 0 324.446 3.661 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000872044004 1031430884 /nfs/dbraw/zinc/43/08/84/1031430884.db2.gz PCXPAQQRDMUZMB-AVGNSLFASA-N 1 0 324.446 3.782 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCSCC1 ZINC000872046612 1031433113 /nfs/dbraw/zinc/43/31/13/1031433113.db2.gz JRYDXGBLMDIVMZ-JTQLQIEISA-N 1 0 312.460 3.863 20 5 DHBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872048050 1031436078 /nfs/dbraw/zinc/43/60/78/1031436078.db2.gz WVSHZUBAIQUXIB-ZOWXZIJZSA-N 1 0 310.369 3.588 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049441 1031438521 /nfs/dbraw/zinc/43/85/21/1031438521.db2.gz SSHPKZDXRLJZNZ-VHSXEESVSA-N 1 0 302.296 3.962 20 5 DHBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000226223770 1031441497 /nfs/dbraw/zinc/44/14/97/1031441497.db2.gz VTXLSLKBUIXNEA-UHFFFAOYSA-N 1 0 317.311 3.510 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060603 1031454737 /nfs/dbraw/zinc/45/47/37/1031454737.db2.gz RWOGTIVXIKRODU-JHJVBQTASA-N 1 0 310.369 3.590 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000536848102 1031454951 /nfs/dbraw/zinc/45/49/51/1031454951.db2.gz XQIUKXQRBHEGAL-ZIAGYGMSSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872062423 1031456466 /nfs/dbraw/zinc/45/64/66/1031456466.db2.gz MQJCVXCRPDHVFX-KOLCDFICSA-N 1 0 323.393 3.953 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CC1CCC1 ZINC000872070257 1031464960 /nfs/dbraw/zinc/46/49/60/1031464960.db2.gz YHDQOXRVCLZGLE-YPMHNXCESA-N 1 0 324.446 3.518 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F ZINC000536883843 1031466407 /nfs/dbraw/zinc/46/64/07/1031466407.db2.gz ZITCIXKJKPGOLX-WDEREUQCSA-N 1 0 320.311 3.521 20 5 DHBDRO C[C@H]([NH2+]CCC1CC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075435 1031471599 /nfs/dbraw/zinc/47/15/99/1031471599.db2.gz ATXXKSRTTUIAQY-VIFPVBQESA-N 1 0 302.296 3.820 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000872078793 1031473776 /nfs/dbraw/zinc/47/37/76/1031473776.db2.gz JYFGTHXSBVZPDA-DCAQKATOSA-N 1 0 312.460 3.861 20 5 DHBDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872076882 1031474760 /nfs/dbraw/zinc/47/47/60/1031474760.db2.gz UTWYALJNLWPLGC-XEZPLFJOSA-N 1 0 324.396 3.836 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078900 1031474812 /nfs/dbraw/zinc/47/48/12/1031474812.db2.gz DSVPJDRCSBZRAI-GFCCVEGCSA-N 1 0 317.364 3.757 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1(CO)CCC1 ZINC000872084669 1031480742 /nfs/dbraw/zinc/48/07/42/1031480742.db2.gz UBEGLIUTAZTWQG-LBPRGKRZSA-N 1 0 324.446 3.520 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000872086376 1031483767 /nfs/dbraw/zinc/48/37/67/1031483767.db2.gz WEKUHOGWEPXYHU-RYUDHWBXSA-N 1 0 303.337 3.583 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000872087268 1031483777 /nfs/dbraw/zinc/48/37/77/1031483777.db2.gz HUVIOMNXLKEVOY-CHWSQXEVSA-N 1 0 324.446 3.784 20 5 DHBDRO C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093208 1031489749 /nfs/dbraw/zinc/48/97/49/1031489749.db2.gz HGWVBGYHZAIGDJ-SWLSCSKDSA-N 1 0 322.380 3.876 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129825 1031520772 /nfs/dbraw/zinc/52/07/72/1031520772.db2.gz WPUAYWSJTKLDDS-DVOMOZLQSA-N 1 0 306.406 3.839 20 5 DHBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000537306674 1031562840 /nfs/dbraw/zinc/56/28/40/1031562840.db2.gz KCMCLNHONIPERR-CZPYZCIJSA-N 1 0 306.406 3.613 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872260178 1031564235 /nfs/dbraw/zinc/56/42/35/1031564235.db2.gz KLKHDAYUZDWAIS-QGZVFWFLSA-N 1 0 304.390 3.518 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1F ZINC000872280071 1031572697 /nfs/dbraw/zinc/57/26/97/1031572697.db2.gz JJCPCXKGCAZRQN-OAHLLOKOSA-N 1 0 322.380 3.658 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc([C@@H](C)O)cc1 ZINC000873020754 1031693565 /nfs/dbraw/zinc/69/35/65/1031693565.db2.gz CESYULXGPJYBTC-CQSZACIVSA-N 1 0 314.385 3.555 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000873016296 1031694269 /nfs/dbraw/zinc/69/42/69/1031694269.db2.gz IXSWYMQCCLMESI-UHFFFAOYSA-N 1 0 319.449 3.564 20 5 DHBDRO Cc1c(C[NH2+]CCc2csc(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000873035077 1031696242 /nfs/dbraw/zinc/69/62/42/1031696242.db2.gz DZRBSTOMJAZSOS-UHFFFAOYSA-N 1 0 319.430 3.815 20 5 DHBDRO Cc1nc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)sc1C ZINC000873077108 1031704102 /nfs/dbraw/zinc/70/41/02/1031704102.db2.gz JRTXTHFNTJZXQV-UHFFFAOYSA-N 1 0 319.430 3.617 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000873099922 1031709807 /nfs/dbraw/zinc/70/98/07/1031709807.db2.gz GDHWVHFTRFOLRK-PBHICJAKSA-N 1 0 306.406 3.505 20 5 DHBDRO Cc1cnc([C@@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000873105606 1031712903 /nfs/dbraw/zinc/71/29/03/1031712903.db2.gz ZJHBBZUROUVINQ-JTQLQIEISA-N 1 0 305.403 3.561 20 5 DHBDRO COCC(C)(C)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000873153003 1031727121 /nfs/dbraw/zinc/72/71/21/1031727121.db2.gz RVXVGXWLTBUSQT-GXDHUFHOSA-N 1 0 306.406 3.650 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873155926 1031730023 /nfs/dbraw/zinc/73/00/23/1031730023.db2.gz IJNMWQFMMARDMN-QGKJEJKUSA-N 1 0 316.401 3.545 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCS1 ZINC000897792852 1031837142 /nfs/dbraw/zinc/83/71/42/1031837142.db2.gz GXKZNPNNMQIIES-RISCZKNCSA-N 1 0 306.431 3.846 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000846105282 1031878277 /nfs/dbraw/zinc/87/82/77/1031878277.db2.gz QSRSIBFOEVCMDA-LBPRGKRZSA-N 1 0 317.216 3.967 20 5 DHBDRO CCc1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000930637179 1031898400 /nfs/dbraw/zinc/89/84/00/1031898400.db2.gz KHTNQHXMJIYTCA-AWEZNQCLSA-N 1 0 315.373 3.525 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCC(F)(F)C2)c(F)c1 ZINC000898017807 1031919084 /nfs/dbraw/zinc/91/90/84/1031919084.db2.gz UCSFRXUYDSBOGJ-SNVBAGLBSA-N 1 0 302.296 3.649 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898321590 1032019115 /nfs/dbraw/zinc/01/91/15/1032019115.db2.gz SWTNKFXFNVAEIT-AEFFLSMTSA-N 1 0 309.369 3.718 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898326282 1032024036 /nfs/dbraw/zinc/02/40/36/1032024036.db2.gz VGKLMHBDLZPWPH-LKIHTYOGSA-N 1 0 309.369 3.744 20 5 DHBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000539286195 1033314843 /nfs/dbraw/zinc/31/48/43/1033314843.db2.gz FPWYPRPYOVORFB-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO Cc1cccc(C(C)(C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c1 ZINC000539311764 1033316928 /nfs/dbraw/zinc/31/69/28/1033316928.db2.gz HYSKSNASNXKDBQ-UHFFFAOYSA-N 1 0 314.385 3.807 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927029152 1033339307 /nfs/dbraw/zinc/33/93/07/1033339307.db2.gz OQVXDJNFPVNSIB-GYSYKLTISA-N 1 0 312.410 3.539 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000877607498 1033378858 /nfs/dbraw/zinc/37/88/58/1033378858.db2.gz GQYFLEVIVVXMNZ-AWEZNQCLSA-N 1 0 318.417 3.603 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(c2ccon2)CC1 ZINC000877638418 1033393896 /nfs/dbraw/zinc/39/38/96/1033393896.db2.gz FSJGNLMRNAADIY-UHFFFAOYSA-N 1 0 315.373 3.579 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000927035251 1033394543 /nfs/dbraw/zinc/39/45/43/1033394543.db2.gz GNMIOVSMSUNSRU-DOMZBBRYSA-N 1 0 318.442 3.990 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC3(C1)CCCC3)CC2 ZINC001172905830 1033437846 /nfs/dbraw/zinc/43/78/46/1033437846.db2.gz VBANRZVLNWBCGT-INIZCTEOSA-N 1 0 300.402 3.718 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1nccs1 ZINC001172902071 1033438152 /nfs/dbraw/zinc/43/81/52/1033438152.db2.gz UTYHRAKCWRAWGQ-RISCZKNCSA-N 1 0 317.414 3.650 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)CC2 ZINC001172902522 1033438199 /nfs/dbraw/zinc/43/81/99/1033438199.db2.gz ZERVYFDDEFBFJT-RLLQIKCJSA-N 1 0 322.408 3.988 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC3(C1)CC(F)(F)C3)CC2 ZINC001172909206 1033440394 /nfs/dbraw/zinc/44/03/94/1033440394.db2.gz QRBNXORTXDBYJN-AWEZNQCLSA-N 1 0 322.355 3.573 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccn1 ZINC001172895398 1033460964 /nfs/dbraw/zinc/46/09/64/1033460964.db2.gz CLNCAZNUMONDCA-CZUORRHYSA-N 1 0 311.385 3.588 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H](CF)C1)CC2 ZINC001172916529 1033464443 /nfs/dbraw/zinc/46/44/43/1033464443.db2.gz TXCOHBFKUBVYKL-XJKSGUPXSA-N 1 0 306.381 3.524 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H](C(F)F)C1)CC2 ZINC001172916101 1033465125 /nfs/dbraw/zinc/46/51/25/1033465125.db2.gz QQGCRXDVSDRBPB-LSDHHAIUSA-N 1 0 324.371 3.819 20 5 DHBDRO Cc1csc([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000877814850 1033465263 /nfs/dbraw/zinc/46/52/63/1033465263.db2.gz YPBDCWQLVCPNJJ-CQSZACIVSA-N 1 0 317.414 3.658 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)cccc1[N+](=O)[O-] ZINC000478503870 1033496775 /nfs/dbraw/zinc/49/67/75/1033496775.db2.gz BITKAQRWEROTOI-HZPDHXFCSA-N 1 0 306.406 3.585 20 5 DHBDRO Cc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000152863676 1033546661 /nfs/dbraw/zinc/54/66/61/1033546661.db2.gz RLWJGZLIHMAKOV-UHFFFAOYSA-N 1 0 300.333 3.821 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC2CCCC2)c1F ZINC001173177212 1033581946 /nfs/dbraw/zinc/58/19/46/1033581946.db2.gz RJKUFIAPPISSIA-GFCCVEGCSA-N 1 0 324.396 3.843 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)C2CCCC2)c1F ZINC001173190616 1033583517 /nfs/dbraw/zinc/58/35/17/1033583517.db2.gz ZRIAAEDLQNNRLN-VXGBXAGGSA-N 1 0 324.396 3.842 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](C)[C@@H]2C)c1F ZINC001173190929 1033584853 /nfs/dbraw/zinc/58/48/53/1033584853.db2.gz XRAHTWCNTUHFJO-AVGNSLFASA-N 1 0 324.396 3.794 20 5 DHBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001173215702 1033596948 /nfs/dbraw/zinc/59/69/48/1033596948.db2.gz YSGFJEDQOCIPPM-CYBMUJFWSA-N 1 0 302.349 3.763 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1c(F)cccc1F ZINC001173217304 1033597522 /nfs/dbraw/zinc/59/75/22/1033597522.db2.gz SFLRLCGTRFSWBD-NSHDSACASA-N 1 0 306.312 3.594 20 5 DHBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC001173215703 1033598236 /nfs/dbraw/zinc/59/82/36/1033598236.db2.gz YSGFJEDQOCIPPM-ZDUSSCGKSA-N 1 0 302.349 3.763 20 5 DHBDRO Cc1c(F)ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1F ZINC001173217892 1033598337 /nfs/dbraw/zinc/59/83/37/1033598337.db2.gz HGZMMSGICIPLFQ-LLVKDONJSA-N 1 0 320.339 3.902 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(OC2CCC2)CC1 ZINC001173220970 1033600212 /nfs/dbraw/zinc/60/02/12/1033600212.db2.gz DUAKMSPNDYTTNM-CQSZACIVSA-N 1 0 318.417 3.559 20 5 DHBDRO COC1CCC(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173219293 1033600225 /nfs/dbraw/zinc/60/02/25/1033600225.db2.gz ANPNAPFPRLSGQJ-SYJJWHGVSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2cnccc21 ZINC001173220602 1033600263 /nfs/dbraw/zinc/60/02/63/1033600263.db2.gz DDJIVKXFPWUFEO-CQSZACIVSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H]1c1ccc(F)cc1 ZINC001173218594 1033600935 /nfs/dbraw/zinc/60/09/35/1033600935.db2.gz KUADYRICLKLFNC-UUWFMWQGSA-N 1 0 314.360 3.811 20 5 DHBDRO COc1ccccc1C[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226005 1033602388 /nfs/dbraw/zinc/60/23/88/1033602388.db2.gz GYLPQSNMOUOKTK-CQSZACIVSA-N 1 0 314.385 3.666 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccccc2C1 ZINC001173221793 1033602870 /nfs/dbraw/zinc/60/28/70/1033602870.db2.gz PVENXLZRZZTPOH-KSSFIOAISA-N 1 0 310.397 3.673 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2c1cccc2O ZINC001173225411 1033604032 /nfs/dbraw/zinc/60/40/32/1033604032.db2.gz JVIWVZHHFIYQNT-SJCJKPOMSA-N 1 0 312.369 3.509 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCc2cnccc21 ZINC001173227519 1033604634 /nfs/dbraw/zinc/60/46/34/1033604634.db2.gz GPWIEMNRSKDWGL-UGSOOPFHSA-N 1 0 311.385 3.588 20 5 DHBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001173226861 1033606102 /nfs/dbraw/zinc/60/61/02/1033606102.db2.gz CHVFSZHVYBMUCW-KSSFIOAISA-N 1 0 313.401 3.908 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1F ZINC001173227226 1033606137 /nfs/dbraw/zinc/60/61/37/1033606137.db2.gz OQOCDWGBYDQYMG-CYBMUJFWSA-N 1 0 302.349 3.797 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(F)c(F)c1 ZINC001173234349 1033608028 /nfs/dbraw/zinc/60/80/28/1033608028.db2.gz OFOFLXZMVACBNY-LBPRGKRZSA-N 1 0 320.339 3.636 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001173234936 1033609574 /nfs/dbraw/zinc/60/95/74/1033609574.db2.gz RBWIEGQZINOIJC-XIKOKIGWSA-N 1 0 314.360 3.942 20 5 DHBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173214571 1033614175 /nfs/dbraw/zinc/61/41/75/1033614175.db2.gz PFYZVTVAVLNFOQ-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO COC1CCC(C)(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000479450033 1033760305 /nfs/dbraw/zinc/76/03/05/1033760305.db2.gz HXJKXEZRAUYIKK-IGEOTXOUSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](CCO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000479494251 1033782401 /nfs/dbraw/zinc/78/24/01/1033782401.db2.gz CJXRWJWBFMHZJM-WMLDXEAASA-N 1 0 320.433 3.885 20 5 DHBDRO CC(C)(CCO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000174579257 1033943260 /nfs/dbraw/zinc/94/32/60/1033943260.db2.gz VROBSFUDCSHKKQ-UHFFFAOYSA-N 1 0 320.414 3.574 20 5 DHBDRO Cc1csc([C@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880010432 1034183808 /nfs/dbraw/zinc/18/38/08/1034183808.db2.gz UEKLCQWLWFWZRN-OCCSQVGLSA-N 1 0 317.414 3.910 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([C@@H](C)O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178552872 1034245172 /nfs/dbraw/zinc/24/51/72/1034245172.db2.gz PLCNNOUKTZQECX-FZKQIMNGSA-N 1 0 314.385 3.889 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCCCO2)CC1 ZINC000880453767 1034336183 /nfs/dbraw/zinc/33/61/83/1034336183.db2.gz RAOQQXFGIOCCPQ-AWEZNQCLSA-N 1 0 304.390 3.691 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880465338 1034338609 /nfs/dbraw/zinc/33/86/09/1034338609.db2.gz CGQJRHXVAVZDGT-OCCSQVGLSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000880470866 1034340338 /nfs/dbraw/zinc/34/03/38/1034340338.db2.gz QLSYUIAVDHZVDM-OCCSQVGLSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[N@H+](CC1CCC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000794682614 1034342044 /nfs/dbraw/zinc/34/20/44/1034342044.db2.gz IMJNZNMQWKLNPN-UHFFFAOYSA-N 1 0 322.796 3.677 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000480667065 1034378293 /nfs/dbraw/zinc/37/82/93/1034378293.db2.gz QVDVADOSLSCJNQ-NXEZZACHSA-N 1 0 320.311 3.843 20 5 DHBDRO C[C@@H](N[C@@H](C)C[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000480699961 1034412156 /nfs/dbraw/zinc/41/21/56/1034412156.db2.gz QEMKHQOXWYIYNX-LSDHHAIUSA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCC[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000183980848 1034433969 /nfs/dbraw/zinc/43/39/69/1034433969.db2.gz VUKQZZBNAIUHKI-GJZGRUSLSA-N 1 0 306.406 3.903 20 5 DHBDRO C[C@@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000555422292 1034689942 /nfs/dbraw/zinc/68/99/42/1034689942.db2.gz SDYZMKQGHRNBGP-ZDUSSCGKSA-N 1 0 303.406 3.564 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000600136948 1034760695 /nfs/dbraw/zinc/76/06/95/1034760695.db2.gz GWGSUHLIGNTBLT-UHFFFAOYSA-N 1 0 315.373 3.573 20 5 DHBDRO Cc1ccc([C@@H](C)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000600155837 1034777271 /nfs/dbraw/zinc/77/72/71/1034777271.db2.gz IRWGBYQPWBITFP-ZDUSSCGKSA-N 1 0 324.384 3.673 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000555794054 1034905211 /nfs/dbraw/zinc/90/52/11/1034905211.db2.gz QVVJIILTNXTOCL-PBHICJAKSA-N 1 0 306.406 3.711 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159614620 1035074434 /nfs/dbraw/zinc/07/44/34/1035074434.db2.gz NRHADEVAGQGZCS-CYBMUJFWSA-N 1 0 319.449 3.863 20 5 DHBDRO O=[N+]([O-])c1ccc(F)c(Nc2c[nH+]ccc2N2CCCCC2)c1 ZINC001175736012 1035096482 /nfs/dbraw/zinc/09/64/82/1035096482.db2.gz TYQMQYKEDHRTQT-UHFFFAOYSA-N 1 0 316.336 3.863 20 5 DHBDRO Cc1ccc([C@H](C)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000482630803 1035149306 /nfs/dbraw/zinc/14/93/06/1035149306.db2.gz MVVDWHQVVZKENP-JYJNAYRXSA-N 1 0 319.449 3.817 20 5 DHBDRO C[N+](C)(C)CCCO[C@H]1CCc2c1cccc2Br ZINC001224622525 1035181996 /nfs/dbraw/zinc/18/19/96/1035181996.db2.gz HOGYPTCMUKIDOO-HNNXBMFYSA-N 1 0 313.259 3.549 20 5 DHBDRO C[N+](C)(C)CCCO[C@@H]1CCc2c1cccc2Br ZINC001224622526 1035182072 /nfs/dbraw/zinc/18/20/72/1035182072.db2.gz HOGYPTCMUKIDOO-OAHLLOKOSA-N 1 0 313.259 3.549 20 5 DHBDRO CCCC(O)(CCC)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000483293700 1035248892 /nfs/dbraw/zinc/24/88/92/1035248892.db2.gz DGFSYDWXUYFRFO-MRXNPFEDSA-N 1 0 308.422 3.967 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000483714164 1035292303 /nfs/dbraw/zinc/29/23/03/1035292303.db2.gz UHRYTAWEPVELCF-BBRMVZONSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000903322479 1035297969 /nfs/dbraw/zinc/29/79/69/1035297969.db2.gz DKJMOAIFNZDVNL-WRSVWVKZSA-N 1 0 318.417 3.902 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCCC2 ZINC000483830598 1035302743 /nfs/dbraw/zinc/30/27/43/1035302743.db2.gz CWYJNVINFWNONA-RRQGHBQHSA-N 1 0 318.417 3.983 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC001177736901 1035390655 /nfs/dbraw/zinc/39/06/55/1035390655.db2.gz FJZNJXBGCZSPTM-CYBMUJFWSA-N 1 0 314.385 3.638 20 5 DHBDRO CCO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC001178601213 1035439314 /nfs/dbraw/zinc/43/93/14/1035439314.db2.gz LANIMUZCRFHPDP-SFHVURJKSA-N 1 0 314.385 3.771 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC001178605778 1035439486 /nfs/dbraw/zinc/43/94/86/1035439486.db2.gz PTFRJDDUKNCPMS-UHFFFAOYSA-N 1 0 314.316 3.812 20 5 DHBDRO CO[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC(C)C ZINC001178978380 1035456098 /nfs/dbraw/zinc/45/60/98/1035456098.db2.gz WGVVPNQWPCJKAT-DZXKJOIRSA-N 1 0 306.406 3.649 20 5 DHBDRO CO[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001179243527 1035471177 /nfs/dbraw/zinc/47/11/77/1035471177.db2.gz QDGADGJZAZDFGG-RXEWJAMOSA-N 1 0 318.417 3.793 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC1 ZINC000494509611 1035534304 /nfs/dbraw/zinc/53/43/04/1035534304.db2.gz CXXDNCYFXOGZIV-CYBMUJFWSA-N 1 0 302.296 3.892 20 5 DHBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001193079965 1035552309 /nfs/dbraw/zinc/55/23/09/1035552309.db2.gz AJAAYIVLKGCWOM-YOEHRIQHSA-N 1 0 306.406 3.922 20 5 DHBDRO CC(C)(CN1Cc2ccc([N+](=O)[O-])cc2C1)Oc1ccccc1 ZINC001180071949 1035583646 /nfs/dbraw/zinc/58/36/46/1035583646.db2.gz LJDKYSYULLHRRD-UHFFFAOYSA-N 1 0 312.369 3.768 20 5 DHBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535560997 1035687483 /nfs/dbraw/zinc/68/74/83/1035687483.db2.gz XDQVQLDQKGKLBN-MRXNPFEDSA-N 1 0 315.373 3.870 20 5 DHBDRO C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089888653 1035763886 /nfs/dbraw/zinc/76/38/86/1035763886.db2.gz YDCHOYQJCZRFFA-ZDUSSCGKSA-N 1 0 315.373 3.872 20 5 DHBDRO CC[C@@H](C)C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089897264 1035768226 /nfs/dbraw/zinc/76/82/26/1035768226.db2.gz UTLCKQJMSNCRBJ-GFCCVEGCSA-N 1 0 303.362 3.728 20 5 DHBDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001194191562 1035868135 /nfs/dbraw/zinc/86/81/35/1035868135.db2.gz MXWIPGOONZEGEQ-HZPDHXFCSA-N 1 0 324.396 3.807 20 5 DHBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001181267928 1035877956 /nfs/dbraw/zinc/87/79/56/1035877956.db2.gz WOQQHJUBRWRWFK-VXGBXAGGSA-N 1 0 302.378 3.530 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000595095270 1035926222 /nfs/dbraw/zinc/92/62/22/1035926222.db2.gz VITPTGGTHATUSV-NOZJJQNGSA-N 1 0 314.332 3.545 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000540173991 1035996126 /nfs/dbraw/zinc/99/61/26/1035996126.db2.gz BDMURUSQUGIZMY-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000773974021 1036091354 /nfs/dbraw/zinc/09/13/54/1036091354.db2.gz CSRIPLOCVNWYJH-SUMWQHHRSA-N 1 0 306.406 3.529 20 5 DHBDRO Cc1ccc(C[NH2+]C2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000130336138 1036278010 /nfs/dbraw/zinc/27/80/10/1036278010.db2.gz UAFBRGOMADDQMB-UHFFFAOYSA-N 1 0 306.406 3.729 20 5 DHBDRO C[C@H]([NH2+]C(C)(C)CNc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000609132439 1036386929 /nfs/dbraw/zinc/38/69/29/1036386929.db2.gz WGFWQLHSKYXAFV-ZDUSSCGKSA-N 1 0 314.389 3.531 20 5 DHBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1Cc2ccccc2C1 ZINC000542001954 1036485814 /nfs/dbraw/zinc/48/58/14/1036485814.db2.gz XOWSOIKYKPBSIO-UHFFFAOYSA-N 1 0 316.788 3.847 20 5 DHBDRO CCc1noc(C)c1C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271811251 1036549628 /nfs/dbraw/zinc/54/96/28/1036549628.db2.gz ROIBDCNFIPZWJM-HNNXBMFYSA-N 1 0 303.362 3.695 20 5 DHBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000774618106 1036572506 /nfs/dbraw/zinc/57/25/06/1036572506.db2.gz JNGWLWZYKFPFMQ-DYVFJYSZSA-N 1 0 314.389 3.536 20 5 DHBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000271851044 1036577880 /nfs/dbraw/zinc/57/78/80/1036577880.db2.gz XPFAYEAYTLYHQH-PXAZEXFGSA-N 1 0 312.369 3.942 20 5 DHBDRO CC(C)[C@@H]1CCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636537 1036602193 /nfs/dbraw/zinc/60/21/93/1036602193.db2.gz VGWWANJSYGJETO-AWEZNQCLSA-N 1 0 322.796 3.676 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000495421607 1036632846 /nfs/dbraw/zinc/63/28/46/1036632846.db2.gz STSKZBGWKJQAQJ-WFASDCNBSA-N 1 0 306.406 3.900 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000271941060 1036717349 /nfs/dbraw/zinc/71/73/49/1036717349.db2.gz AQJLLGZQVMQARZ-YSVLISHTSA-N 1 0 306.406 3.839 20 5 DHBDRO Cc1cccn2c(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cnc12 ZINC000492193197 1036783267 /nfs/dbraw/zinc/78/32/67/1036783267.db2.gz NHAWQHVCURYZCM-UHFFFAOYSA-N 1 0 324.384 3.576 20 5 DHBDRO C[C@@H]([NH2+][C@@H](CO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000089210141 1036923150 /nfs/dbraw/zinc/92/31/50/1036923150.db2.gz UAECQGMMKONMTE-BZNIZROVSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@H](COCC1CCCCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001198000821 1036923078 /nfs/dbraw/zinc/92/30/78/1036923078.db2.gz KASGFFHCSMZOPF-CQSZACIVSA-N 1 0 306.406 3.670 20 5 DHBDRO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000090586628 1037123222 /nfs/dbraw/zinc/12/32/22/1037123222.db2.gz MWEQXBYTKOBGDY-JKSUJKDBSA-N 1 0 319.449 3.613 20 5 DHBDRO CCC1(CC)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774888094 1037169734 /nfs/dbraw/zinc/16/97/34/1037169734.db2.gz RYGOFURAHAGDFP-UHFFFAOYSA-N 1 0 307.350 3.515 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000776019950 1037332886 /nfs/dbraw/zinc/33/28/86/1037332886.db2.gz USVKGFQKFGPWLL-MSOLQXFVSA-N 1 0 320.433 3.967 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccccc2F)cc1Cl ZINC000761515331 1037341819 /nfs/dbraw/zinc/34/18/19/1037341819.db2.gz JLPDOWHXXUOVPR-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000489286721 1037343087 /nfs/dbraw/zinc/34/30/87/1037343087.db2.gz FAQBZCKAILXJNE-UHFFFAOYSA-N 1 0 320.776 3.889 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)cc1Cl ZINC000761526512 1037347180 /nfs/dbraw/zinc/34/71/80/1037347180.db2.gz NXRBTNDHBIZLTJ-ZBFHGGJFSA-N 1 0 316.788 3.969 20 5 DHBDRO Cc1cc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c(F)cc1[N+](=O)[O-] ZINC001186368109 1037374007 /nfs/dbraw/zinc/37/40/07/1037374007.db2.gz MOGTUWJHGGLFSB-HNNXBMFYSA-N 1 0 309.385 3.575 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000122790578 1037401108 /nfs/dbraw/zinc/40/11/08/1037401108.db2.gz INYYUIDIXRRBEN-UONOGXRCSA-N 1 0 314.385 3.972 20 5 DHBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122790182 1037410114 /nfs/dbraw/zinc/41/01/14/1037410114.db2.gz INYYUIDIXRRBEN-KBPBESRZSA-N 1 0 314.385 3.972 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090727878 1037441982 /nfs/dbraw/zinc/44/19/82/1037441982.db2.gz LDYWFEPBNXEYMP-NWDGAFQWSA-N 1 0 317.389 3.962 20 5 DHBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCc2ccccc2C1 ZINC000490400244 1037706561 /nfs/dbraw/zinc/70/65/61/1037706561.db2.gz LZADOAJVEZRIQK-MRXNPFEDSA-N 1 0 314.360 3.723 20 5 DHBDRO CC[NH+](CC)CC[C@@H](C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC001187921188 1037754550 /nfs/dbraw/zinc/75/45/50/1037754550.db2.gz PTPBKPNDUYWXQL-CYBMUJFWSA-N 1 0 316.405 3.675 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccsc1 ZINC000029622864 1037830280 /nfs/dbraw/zinc/83/02/80/1037830280.db2.gz GPWTWEOCGBFFRG-AWEZNQCLSA-N 1 0 320.418 3.546 20 5 DHBDRO C[C@H](CCc1ccccc1)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001201823133 1037910986 /nfs/dbraw/zinc/91/09/86/1037910986.db2.gz VAHDSGXFTLPYKE-MRXNPFEDSA-N 1 0 312.413 3.996 20 5 DHBDRO COc1ccccc1CC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000609194667 1038070175 /nfs/dbraw/zinc/07/01/75/1038070175.db2.gz BNSFZBZSUIEFLF-CQSZACIVSA-N 1 0 314.385 3.839 20 5 DHBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1(C)CC1 ZINC000494448888 1038108049 /nfs/dbraw/zinc/10/80/49/1038108049.db2.gz XKKQRVJCPXZKAP-SECBINFHSA-N 1 0 302.296 3.892 20 5 DHBDRO C[C@@H](CC1CC1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494511153 1038127504 /nfs/dbraw/zinc/12/75/04/1038127504.db2.gz NUDIQSOUSZEKLG-VIFPVBQESA-N 1 0 302.296 3.892 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)C(C)(C)C ZINC000164537031 1038205062 /nfs/dbraw/zinc/20/50/62/1038205062.db2.gz VUZIYMUQISHFSZ-CYBMUJFWSA-N 1 0 321.421 3.598 20 5 DHBDRO CCCC[C@H](CC)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001190331235 1038299319 /nfs/dbraw/zinc/29/93/19/1038299319.db2.gz AHCLCHAFEAMDEV-INIZCTEOSA-N 1 0 319.449 3.933 20 5 DHBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001190590204 1038351347 /nfs/dbraw/zinc/35/13/47/1038351347.db2.gz WOWUEVCRUYTVFV-GDBMZVCRSA-N 1 0 306.406 3.874 20 5 DHBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCCC1 ZINC000572319490 1038357392 /nfs/dbraw/zinc/35/73/92/1038357392.db2.gz XBQBCTREPBBWEY-LBPRGKRZSA-N 1 0 301.390 3.787 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@H](F)C3)o2)cc1 ZINC000588930278 1038409518 /nfs/dbraw/zinc/40/95/18/1038409518.db2.gz STOGQOOTEKDCPD-STQMWFEESA-N 1 0 304.321 3.835 20 5 DHBDRO Cc1cc(N2CC[C@@H](C(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589600354 1038516647 /nfs/dbraw/zinc/51/66/47/1038516647.db2.gz XEWBLIWFPBHGHO-SNVBAGLBSA-N 1 0 307.300 3.543 20 5 DHBDRO Cc1cc(N2CC[C@H](C(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589600353 1038516960 /nfs/dbraw/zinc/51/69/60/1038516960.db2.gz XEWBLIWFPBHGHO-JTQLQIEISA-N 1 0 307.300 3.543 20 5 DHBDRO C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590154568 1038594129 /nfs/dbraw/zinc/59/41/29/1038594129.db2.gz OVCVVFKAHNQAGT-SNVBAGLBSA-N 1 0 302.296 3.846 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H](C(F)F)C2)c1 ZINC000590169362 1038597868 /nfs/dbraw/zinc/59/78/68/1038597868.db2.gz YCDDFVQQGHUKGW-MRVPVSSYSA-N 1 0 324.249 3.701 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(Cc2ccsc2)C1 ZINC000598676978 1038833081 /nfs/dbraw/zinc/83/30/81/1038833081.db2.gz CLUPKCWCUQLTGQ-UHFFFAOYSA-N 1 0 302.399 3.639 20 5 DHBDRO Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000573254340 1038889538 /nfs/dbraw/zinc/88/95/38/1038889538.db2.gz ALEAAOGKAAQCTL-CJNGLKHVSA-N 1 0 312.369 3.558 20 5 DHBDRO CC[C@@H](OCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000593664263 1038997627 /nfs/dbraw/zinc/99/76/27/1038997627.db2.gz IPHXWOVDXBJHFJ-GOSISDBHSA-N 1 0 314.385 3.852 20 5 DHBDRO C[C@H](Nc1ccc2cnccc2c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000599050004 1039005921 /nfs/dbraw/zinc/00/59/21/1039005921.db2.gz IQKYVVPKFQILNL-LBPRGKRZSA-N 1 0 316.405 3.531 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CC[C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000599059444 1039015124 /nfs/dbraw/zinc/01/51/24/1039015124.db2.gz XIQAPQRHTRYLCV-DYVFJYSZSA-N 1 0 318.417 3.724 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000046037610 1039061396 /nfs/dbraw/zinc/06/13/96/1039061396.db2.gz SMPVURRXGUBKSE-HNNXBMFYSA-N 1 0 318.398 3.872 20 5 DHBDRO CC(C)[C@@H](CNCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000603633481 1039094500 /nfs/dbraw/zinc/09/45/00/1039094500.db2.gz PFTGKXAXGDYFNJ-GOSISDBHSA-N 1 0 319.449 3.585 20 5 DHBDRO CC(C)C[C@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)N(C)C ZINC000603633474 1039095046 /nfs/dbraw/zinc/09/50/46/1039095046.db2.gz NUPUPSYBZYACAO-MRXNPFEDSA-N 1 0 321.465 3.784 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593717243 1039104597 /nfs/dbraw/zinc/10/45/97/1039104597.db2.gz WTCYBUQOSVGGSP-ACJLOTCBSA-N 1 0 318.417 3.759 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C2CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000593721567 1039107604 /nfs/dbraw/zinc/10/76/04/1039107604.db2.gz PRPZSRCKYHFGAR-LBPRGKRZSA-N 1 0 304.390 3.977 20 5 DHBDRO CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000170958411 1039130997 /nfs/dbraw/zinc/13/09/97/1039130997.db2.gz XGEUFQNBLRRLPT-OAHLLOKOSA-N 1 0 310.369 3.515 20 5 DHBDRO CCC[C@H](C)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599387088 1039147324 /nfs/dbraw/zinc/14/73/24/1039147324.db2.gz HMABMGPSUBKYGS-AWEZNQCLSA-N 1 0 308.426 3.645 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592395856 1039175816 /nfs/dbraw/zinc/17/58/16/1039175816.db2.gz SVQPGTOESVPSIK-FPCVCCKLSA-N 1 0 324.446 3.545 20 5 DHBDRO C[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])CC(F)F ZINC000592392183 1039176178 /nfs/dbraw/zinc/17/61/78/1039176178.db2.gz DXLIITGJFQMJIZ-VXGBXAGGSA-N 1 0 300.349 3.797 20 5 DHBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000603854127 1039188790 /nfs/dbraw/zinc/18/87/90/1039188790.db2.gz QZMXGYFISWVGPW-RYUDHWBXSA-N 1 0 311.813 3.923 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000603859505 1039193618 /nfs/dbraw/zinc/19/36/18/1039193618.db2.gz FLWQNMCBKFHQSI-ZDUSSCGKSA-N 1 0 309.385 3.800 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000592400783 1039434940 /nfs/dbraw/zinc/43/49/40/1039434940.db2.gz VIYDUZKLPJRVAS-LLLHUVSDSA-N 1 0 300.402 3.694 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000592400782 1039436697 /nfs/dbraw/zinc/43/66/97/1039436697.db2.gz VIYDUZKLPJRVAS-DZUCGIPZSA-N 1 0 300.402 3.694 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000604484503 1039481248 /nfs/dbraw/zinc/48/12/48/1039481248.db2.gz YYHSXROKWLIIET-GOSISDBHSA-N 1 0 312.369 3.946 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)c(Cl)c1 ZINC000593667018 1039584189 /nfs/dbraw/zinc/58/41/89/1039584189.db2.gz RDRVGPQAVICFJO-INIZCTEOSA-N 1 0 324.808 3.543 20 5 DHBDRO COCC[C@@](C)(O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000172071743 1039728439 /nfs/dbraw/zinc/72/84/39/1039728439.db2.gz QFGIXXFBWWPYEW-OAQYLSRUSA-N 1 0 323.436 3.870 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccc(F)c(F)c1 ZINC000594500727 1039799776 /nfs/dbraw/zinc/79/97/76/1039799776.db2.gz SJNNLOVOJFXXGG-MRXNPFEDSA-N 1 0 318.323 3.693 20 5 DHBDRO CC[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594512869 1039817320 /nfs/dbraw/zinc/81/73/20/1039817320.db2.gz SFJGSKHTLUCRMK-OKZBNKHCSA-N 1 0 318.417 3.983 20 5 DHBDRO C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000594514883 1039817429 /nfs/dbraw/zinc/81/74/29/1039817429.db2.gz LRMUAGSUKFYWGR-UGSOOPFHSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594514687 1039821324 /nfs/dbraw/zinc/82/13/24/1039821324.db2.gz ZGNLRGJZMXEALU-ZLIFDBKOSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000594514683 1039821449 /nfs/dbraw/zinc/82/14/49/1039821449.db2.gz ZGNLRGJZMXEALU-AFAVFJNCSA-N 1 0 304.390 3.593 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594516862 1039821812 /nfs/dbraw/zinc/82/18/12/1039821812.db2.gz GRTVVOLISWSQBJ-ZOBUZTSGSA-N 1 0 304.390 3.519 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594519306 1039823487 /nfs/dbraw/zinc/82/34/87/1039823487.db2.gz JOEQMHTUSGFDFD-BBWFWOEESA-N 1 0 306.406 3.983 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000594521163 1039831472 /nfs/dbraw/zinc/83/14/72/1039831472.db2.gz SAOSXHFJQWXINV-CJNGLKHVSA-N 1 0 316.401 3.664 20 5 DHBDRO COCc1csc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000594726625 1039900510 /nfs/dbraw/zinc/90/05/10/1039900510.db2.gz MVKMXRCWDUPPGO-NSHDSACASA-N 1 0 306.387 3.654 20 5 DHBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000594969887 1039948038 /nfs/dbraw/zinc/94/80/38/1039948038.db2.gz SDJHQQXEOKFGJV-SAZUREKKSA-N 1 0 316.357 3.512 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnccc1C ZINC000594965776 1039971408 /nfs/dbraw/zinc/97/14/08/1039971408.db2.gz DKCFSAYJPDFNPW-GXDHUFHOSA-N 1 0 311.385 3.534 20 5 DHBDRO C[C@H]([NH2+]C/C=C\CO)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000595068497 1040032013 /nfs/dbraw/zinc/03/20/13/1040032013.db2.gz IESGCZIGHHNAIN-RXNFCKPNSA-N 1 0 318.398 3.522 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000595032665 1040038718 /nfs/dbraw/zinc/03/87/18/1040038718.db2.gz KMPMJXIZRKBTOV-RKDXNWHRSA-N 1 0 306.284 3.595 20 5 DHBDRO CC[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595052818 1040052778 /nfs/dbraw/zinc/05/27/78/1040052778.db2.gz AOJXKVNSXFKLEO-CVEARBPZSA-N 1 0 305.422 3.508 20 5 DHBDRO COCC(C)(C)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595052727 1040055267 /nfs/dbraw/zinc/05/52/67/1040055267.db2.gz URWNNGZPEQPPET-CYBMUJFWSA-N 1 0 324.421 3.707 20 5 DHBDRO CCC[C@@H]([NH2+]CCC1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574877744 1040055283 /nfs/dbraw/zinc/05/52/83/1040055283.db2.gz STIUHNBCZMIQRS-MRXNPFEDSA-N 1 0 306.406 3.842 20 5 DHBDRO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000595081932 1040075290 /nfs/dbraw/zinc/07/52/90/1040075290.db2.gz UXUBSMLEVLTOEZ-JGGQBBKZSA-N 1 0 324.371 3.941 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000595084413 1040076028 /nfs/dbraw/zinc/07/60/28/1040076028.db2.gz FOTYKXAFXLLELM-IRXDYDNUSA-N 1 0 310.353 3.565 20 5 DHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595446960 1040142436 /nfs/dbraw/zinc/14/24/36/1040142436.db2.gz FNVNGYBRUQXHDT-LLVKDONJSA-N 1 0 308.275 3.801 20 5 DHBDRO CO[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595512877 1040158594 /nfs/dbraw/zinc/15/85/94/1040158594.db2.gz XHNVTQXFAAFTDQ-INIZCTEOSA-N 1 0 306.406 3.625 20 5 DHBDRO O=[N+]([O-])c1sccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000063256569 1040162112 /nfs/dbraw/zinc/16/21/12/1040162112.db2.gz RHUZSZJRAPVGQU-UHFFFAOYSA-N 1 0 317.414 3.864 20 5 DHBDRO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000575195644 1040184667 /nfs/dbraw/zinc/18/46/67/1040184667.db2.gz PSPMCDTUIGJUOM-YWPYICTPSA-N 1 0 306.431 3.846 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000595821444 1040248725 /nfs/dbraw/zinc/24/87/25/1040248725.db2.gz YXWZLWXPOGOMNI-LKSINWNRSA-N 1 0 310.369 3.610 20 5 DHBDRO Cc1c(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000595789220 1040255646 /nfs/dbraw/zinc/25/56/46/1040255646.db2.gz PKCMVVVTWPZONM-SFHVURJKSA-N 1 0 318.417 3.684 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831542 1040265367 /nfs/dbraw/zinc/26/53/67/1040265367.db2.gz JVCXIFXZPHJNPB-GOEBONIOSA-N 1 0 312.369 3.809 20 5 DHBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CC1(C)C ZINC000595908743 1040273762 /nfs/dbraw/zinc/27/37/62/1040273762.db2.gz KDSLTQOEYRPTIF-ZDUSSCGKSA-N 1 0 315.373 3.728 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000173841359 1040436927 /nfs/dbraw/zinc/43/69/27/1040436927.db2.gz XCDIZHAATWPWHX-MRXNPFEDSA-N 1 0 322.380 3.658 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]CC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000608836804 1040623413 /nfs/dbraw/zinc/62/34/13/1040623413.db2.gz PSWTWSAAVAHNGL-UHFFFAOYSA-N 1 0 318.373 3.999 20 5 DHBDRO C[C@@H](CNc1ccc([N+](=O)[O-])s1)[N@@H+]1CCc2ccccc2C1 ZINC000064029432 1040642075 /nfs/dbraw/zinc/64/20/75/1040642075.db2.gz YVLPUZNUNLBNFP-LBPRGKRZSA-N 1 0 317.414 3.515 20 5 DHBDRO C[C@H](Cc1ccccn1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000594514880 1040874907 /nfs/dbraw/zinc/87/49/07/1040874907.db2.gz LRMUAGSUKFYWGR-ACJLOTCBSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000594514964 1040874918 /nfs/dbraw/zinc/87/49/18/1040874918.db2.gz NKSLUTRJKVYZGB-LSDHHAIUSA-N 1 0 313.401 3.532 20 5 DHBDRO CC1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC=CC1 ZINC000594508937 1040874953 /nfs/dbraw/zinc/87/49/53/1040874953.db2.gz FBIDWJXNKWSECT-UHFFFAOYSA-N 1 0 315.398 3.917 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCCS1 ZINC000602570894 1041102923 /nfs/dbraw/zinc/10/29/23/1041102923.db2.gz XWSGDQHIEQIYSW-NSHDSACASA-N 1 0 320.336 3.599 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000602578153 1041110932 /nfs/dbraw/zinc/11/09/32/1041110932.db2.gz WAIDDFXXEITAAC-SNVBAGLBSA-N 1 0 324.249 3.891 20 5 DHBDRO CC(C)c1csc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602575862 1041111422 /nfs/dbraw/zinc/11/14/22/1041111422.db2.gz JNSTYNZARKEQCR-UHFFFAOYSA-N 1 0 305.403 3.507 20 5 DHBDRO Cc1ncc([C@@H](C)[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000602609738 1041123645 /nfs/dbraw/zinc/12/36/45/1041123645.db2.gz FQNWERAXCJHHFD-GFCCVEGCSA-N 1 0 314.389 3.588 20 5 DHBDRO CC(C)(C)OC1CC(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602634135 1041136460 /nfs/dbraw/zinc/13/64/60/1041136460.db2.gz OROPARCETRSQHA-UHFFFAOYSA-N 1 0 320.433 3.711 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761280095 1041274647 /nfs/dbraw/zinc/27/46/47/1041274647.db2.gz LTTZCOYXJQZQJK-GXTWGEPZSA-N 1 0 316.405 3.721 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@H](C)C(C)(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761279213 1041275381 /nfs/dbraw/zinc/27/53/81/1041275381.db2.gz IHDVEMAVWGVTLA-GFCCVEGCSA-N 1 0 304.394 3.577 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000602948635 1041320669 /nfs/dbraw/zinc/32/06/69/1041320669.db2.gz CKLSSIRPEMODRP-OAHLLOKOSA-N 1 0 317.433 3.606 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000090217365 185287090 /nfs/dbraw/zinc/28/70/90/185287090.db2.gz JEAZJYNQSFRPIF-NEPJUHHUSA-N 1 0 303.337 3.849 20 5 DHBDRO CC(C)(O)C(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289305895 535273652 /nfs/dbraw/zinc/27/36/52/535273652.db2.gz DIBCFYANLKDXMJ-UHFFFAOYSA-N 1 0 321.204 3.541 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCOCC1 ZINC000271973998 129986080 /nfs/dbraw/zinc/98/60/80/129986080.db2.gz NPEZGZMENZTIPD-KBPBESRZSA-N 1 0 324.446 3.624 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000272628150 130048275 /nfs/dbraw/zinc/04/82/75/130048275.db2.gz MSFIFXIZIMZJAU-JTQLQIEISA-N 1 0 323.755 3.676 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cncs1 ZINC000272644895 130050209 /nfs/dbraw/zinc/05/02/09/130050209.db2.gz OWJATICWWRYUJN-SECBINFHSA-N 1 0 311.794 3.598 20 5 DHBDRO Cc1cc(C2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000272954728 130077707 /nfs/dbraw/zinc/07/77/07/130077707.db2.gz MXEALHPOWAOGCV-ZDUSSCGKSA-N 1 0 314.389 3.567 20 5 DHBDRO COc1ccsc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000274578838 130247271 /nfs/dbraw/zinc/24/72/71/130247271.db2.gz KOSLMFFQLIDSOB-NSHDSACASA-N 1 0 306.387 3.558 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccccc1[N+](=O)[O-] ZINC000274807444 130264403 /nfs/dbraw/zinc/26/44/03/130264403.db2.gz QEIXSVILLCPNHL-ZDUSSCGKSA-N 1 0 314.385 3.673 20 5 DHBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000284076723 131045980 /nfs/dbraw/zinc/04/59/80/131045980.db2.gz LPYQCJGPMFMGBL-NEPJUHHUSA-N 1 0 315.373 3.597 20 5 DHBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000285111671 131139787 /nfs/dbraw/zinc/13/97/87/131139787.db2.gz HZIRLXGQOXLRCM-MRVPVSSYSA-N 1 0 324.249 3.647 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000286947227 131257558 /nfs/dbraw/zinc/25/75/58/131257558.db2.gz BJWNMBUTCCILEL-QRTARXTBSA-N 1 0 306.406 3.698 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCSC1)C1CC1 ZINC000286965293 131258148 /nfs/dbraw/zinc/25/81/48/131258148.db2.gz ICXCIENEJHVFEY-XJKSGUPXSA-N 1 0 320.458 3.649 20 5 DHBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCC(F)(F)CC1 ZINC000286985679 131258738 /nfs/dbraw/zinc/25/87/38/131258738.db2.gz OYXGSMGPJLSYON-UHFFFAOYSA-N 1 0 302.296 3.744 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCSC1 ZINC000287233012 131270398 /nfs/dbraw/zinc/27/03/98/131270398.db2.gz YIWIZXBKGHGYAJ-ZIAGYGMSSA-N 1 0 308.447 3.649 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCSC1 ZINC000287233006 131270524 /nfs/dbraw/zinc/27/05/24/131270524.db2.gz YIWIZXBKGHGYAJ-UONOGXRCSA-N 1 0 308.447 3.649 20 5 DHBDRO CCOC(=O)CC(C)(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000287682073 131294787 /nfs/dbraw/zinc/29/47/87/131294787.db2.gz IFBCRNXVNRXYBR-CYBMUJFWSA-N 1 0 322.405 3.615 20 5 DHBDRO CCOC1(C)CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000298254953 132053052 /nfs/dbraw/zinc/05/30/52/132053052.db2.gz LIZGCABXZCRWJO-CQSZACIVSA-N 1 0 306.406 3.855 20 5 DHBDRO COCc1ccccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119574229 132134314 /nfs/dbraw/zinc/13/43/14/132134314.db2.gz HFKCHEFMSADQQM-AWEZNQCLSA-N 1 0 314.385 3.900 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000119797083 132137273 /nfs/dbraw/zinc/13/72/73/132137273.db2.gz IIGPWFXWAATQNO-CYBMUJFWSA-N 1 0 312.797 3.684 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000170907575 332899957 /nfs/dbraw/zinc/89/99/57/332899957.db2.gz DJZFWDPYOFJASQ-UHFFFAOYSA-N 1 0 312.369 3.772 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000128924603 332015857 /nfs/dbraw/zinc/01/58/57/332015857.db2.gz QJJDFZBDJBRXJK-CQSZACIVSA-N 1 0 322.368 3.631 20 5 DHBDRO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000262083247 332019166 /nfs/dbraw/zinc/01/91/66/332019166.db2.gz HFQRXAALZXNBTF-IJEWVQPXSA-N 1 0 305.422 3.556 20 5 DHBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000559326231 332025851 /nfs/dbraw/zinc/02/58/51/332025851.db2.gz JJSRHJXHGSAKKK-UHFFFAOYSA-N 1 0 314.385 3.937 20 5 DHBDRO CC/C=C\C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449450944 332204908 /nfs/dbraw/zinc/20/49/08/332204908.db2.gz CAVPYDWYQCWKOO-ARJAWSKDSA-N 1 0 303.387 3.774 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000584302235 332230459 /nfs/dbraw/zinc/23/04/59/332230459.db2.gz XDKTZIBBLGFRHX-SJORKVTESA-N 1 0 312.344 3.998 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000559897848 332291127 /nfs/dbraw/zinc/29/11/27/332291127.db2.gz RVNMIBUUHWWOAY-HOCLYGCPSA-N 1 0 320.433 3.743 20 5 DHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000561133460 332415070 /nfs/dbraw/zinc/41/50/70/332415070.db2.gz PHUUZWAUXIILME-MGPQQGTHSA-N 1 0 321.396 3.576 20 5 DHBDRO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000151030298 332484122 /nfs/dbraw/zinc/48/41/22/332484122.db2.gz QZSCZBLISMPRMM-APPDUMDISA-N 1 0 300.333 3.757 20 5 DHBDRO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000151030410 332484137 /nfs/dbraw/zinc/48/41/37/332484137.db2.gz QZSCZBLISMPRMM-GTNSWQLSSA-N 1 0 300.333 3.757 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000181211707 333029795 /nfs/dbraw/zinc/02/97/95/333029795.db2.gz WUXQHSNXYRPHKV-ZDUSSCGKSA-N 1 0 309.410 3.526 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2ccco2)o1 ZINC000518771859 333082081 /nfs/dbraw/zinc/08/20/81/333082081.db2.gz KZQXWNQQJMFTQW-UHFFFAOYSA-N 1 0 312.325 3.780 20 5 DHBDRO Cc1ccc([C@H](C)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000314066641 333085221 /nfs/dbraw/zinc/08/52/21/333085221.db2.gz RZRXVQJFGCBXJL-HNNXBMFYSA-N 1 0 307.438 3.673 20 5 DHBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000462806215 333116371 /nfs/dbraw/zinc/11/63/71/333116371.db2.gz GFPHAOJMRULCPS-OAHLLOKOSA-N 1 0 321.421 3.670 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccs2)cc(C(F)(F)F)c1 ZINC000487184742 333116875 /nfs/dbraw/zinc/11/68/75/333116875.db2.gz HSPCBPZJIKJNHV-UHFFFAOYSA-N 1 0 316.304 3.965 20 5 DHBDRO Cc1cnc(CC[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000182933512 333181493 /nfs/dbraw/zinc/18/14/93/333181493.db2.gz DEZQIHLSYKEGRZ-CYBMUJFWSA-N 1 0 319.430 3.904 20 5 DHBDRO Cc1ccc(OCC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000518780860 333183782 /nfs/dbraw/zinc/18/37/82/333183782.db2.gz CZKWPUJBHAVPKQ-UHFFFAOYSA-N 1 0 314.385 3.689 20 5 DHBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000318885361 333220065 /nfs/dbraw/zinc/22/00/65/333220065.db2.gz NMDMEYQUSLKQMG-JTQLQIEISA-N 1 0 319.327 3.756 20 5 DHBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000390079661 333221981 /nfs/dbraw/zinc/22/19/81/333221981.db2.gz RPQFYHHBEQNCCQ-UHFFFAOYSA-N 1 0 319.327 3.756 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000319086874 333254897 /nfs/dbraw/zinc/25/48/97/333254897.db2.gz QHMXZUMZJVICBJ-HOTGVXAUSA-N 1 0 308.422 3.823 20 5 DHBDRO CSCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185164360 333369199 /nfs/dbraw/zinc/36/91/99/333369199.db2.gz OUBLTLUOTPOPIF-UHFFFAOYSA-N 1 0 302.827 3.871 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000122564705 333448726 /nfs/dbraw/zinc/44/87/26/333448726.db2.gz IAHFWAHOBRAFTC-LLVKDONJSA-N 1 0 314.817 3.566 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000531725100 333544385 /nfs/dbraw/zinc/54/43/85/333544385.db2.gz NBFOZAHTWGRICT-CZUORRHYSA-N 1 0 306.406 3.759 20 5 DHBDRO COC1CCC(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000563415567 333602141 /nfs/dbraw/zinc/60/21/41/333602141.db2.gz CNWLZSZLGJMQAE-KVULBXGLSA-N 1 0 318.417 3.767 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCNc1ccccc1 ZINC000563416827 333602531 /nfs/dbraw/zinc/60/25/31/333602531.db2.gz KBVBYIVSZKRZJU-KRWDZBQOSA-N 1 0 311.385 3.674 20 5 DHBDRO CC(C)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1(O)CCCC1 ZINC000563418566 333603030 /nfs/dbraw/zinc/60/30/30/333603030.db2.gz POCDWEGNNTZYTI-OAHLLOKOSA-N 1 0 318.417 3.503 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CS1 ZINC000414495998 333997256 /nfs/dbraw/zinc/99/72/56/333997256.db2.gz CNJVEIRBADLULH-AAEUAGOBSA-N 1 0 318.398 3.838 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CS1 ZINC000414499521 333998606 /nfs/dbraw/zinc/99/86/06/333998606.db2.gz KFZSVAPJIFALTO-WCQYABFASA-N 1 0 318.398 3.838 20 5 DHBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000414560665 334019462 /nfs/dbraw/zinc/01/94/62/334019462.db2.gz XJQQMHMXTMSVSN-ZFWWWQNUSA-N 1 0 318.398 3.558 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000414586704 334028990 /nfs/dbraw/zinc/02/89/90/334028990.db2.gz PHFJMJCTOXEAAC-HUUCEWRRSA-N 1 0 300.358 3.957 20 5 DHBDRO CCCCCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272498642 334035596 /nfs/dbraw/zinc/03/55/96/334035596.db2.gz GHXVOFJLAGURTC-INIZCTEOSA-N 1 0 316.405 3.588 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cnn1C(C)C ZINC000276428222 334077884 /nfs/dbraw/zinc/07/78/84/334077884.db2.gz WRBPTGBKFNUOSK-ZDUSSCGKSA-N 1 0 316.405 3.574 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cnn1C(C)C ZINC000276428218 334077945 /nfs/dbraw/zinc/07/79/45/334077945.db2.gz WRBPTGBKFNUOSK-CYBMUJFWSA-N 1 0 316.405 3.574 20 5 DHBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CCC1 ZINC000111299082 334318311 /nfs/dbraw/zinc/31/83/11/334318311.db2.gz BRUUHCHJCKGHNL-UHFFFAOYSA-N 1 0 315.373 3.524 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000532016019 334372222 /nfs/dbraw/zinc/37/22/22/334372222.db2.gz WQHYGMIWMHPLKA-GFCCVEGCSA-N 1 0 314.332 3.661 20 5 DHBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](CC1CCCCC1)C(C)(C)C ZINC000343620337 335182071 /nfs/dbraw/zinc/18/20/71/335182071.db2.gz DRBQHHIXKLFXNE-OAHLLOKOSA-N 1 0 322.453 3.803 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1COc3ccccc31)CCC2 ZINC000343994522 335206269 /nfs/dbraw/zinc/20/62/69/335206269.db2.gz SRBXSKRPGXEGNA-KBXCAEBGSA-N 1 0 324.380 3.738 20 5 DHBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444677764 338481682 /nfs/dbraw/zinc/48/16/82/338481682.db2.gz UWJGQWICKBFLMV-GXTWGEPZSA-N 1 0 316.405 3.920 20 5 DHBDRO COc1cc(NCCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000348163512 335559364 /nfs/dbraw/zinc/55/93/64/335559364.db2.gz BKDPSYUPTKIYRH-UHFFFAOYSA-N 1 0 309.410 3.524 20 5 DHBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000166244631 335628976 /nfs/dbraw/zinc/62/89/76/335628976.db2.gz NITMPUDKPHPKAQ-RCBQFDQVSA-N 1 0 304.390 3.593 20 5 DHBDRO C[C@@H]([NH2+]CCOC1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000532225671 335920591 /nfs/dbraw/zinc/92/05/91/335920591.db2.gz UXWYWVPUWPYOFS-CQSZACIVSA-N 1 0 306.406 3.985 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CS1 ZINC000331645788 336143345 /nfs/dbraw/zinc/14/33/45/336143345.db2.gz UMZIWPNQKCRHAV-ZETOZRRWSA-N 1 0 306.431 3.801 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCc2ccc(O)cc2C1 ZINC000332545400 336174168 /nfs/dbraw/zinc/17/41/68/336174168.db2.gz MPOZPYFRZLUJON-CYBMUJFWSA-N 1 0 312.369 3.728 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540041 336223377 /nfs/dbraw/zinc/22/33/77/336223377.db2.gz GMMBQHHVSVAOKB-UONOGXRCSA-N 1 0 324.446 3.709 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1F ZINC000352556123 336224498 /nfs/dbraw/zinc/22/44/98/336224498.db2.gz VVYLQSKWICPGLJ-HNNXBMFYSA-N 1 0 318.348 3.983 20 5 DHBDRO C[C@H]1C[C@H](C)[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000532575220 336256987 /nfs/dbraw/zinc/25/69/87/336256987.db2.gz NGIFWAFTOYBCTD-STQMWFEESA-N 1 0 315.373 3.523 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000527074579 336282699 /nfs/dbraw/zinc/28/26/99/336282699.db2.gz URENYNJASSFZKD-INIZCTEOSA-N 1 0 317.776 3.884 20 5 DHBDRO COCC[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102426403 336287275 /nfs/dbraw/zinc/28/72/75/336287275.db2.gz XXOAIIIJBQSYQM-GFCCVEGCSA-N 1 0 320.414 3.838 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cccc(F)c1[N+](=O)[O-] ZINC000301097881 336289917 /nfs/dbraw/zinc/28/99/17/336289917.db2.gz NQTNNWNYYAKNLD-CYBMUJFWSA-N 1 0 309.385 3.800 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000301112675 336290643 /nfs/dbraw/zinc/29/06/43/336290643.db2.gz ZKIBQJPAJOSBRI-INIZCTEOSA-N 1 0 321.327 3.588 20 5 DHBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301123514 336291117 /nfs/dbraw/zinc/29/11/17/336291117.db2.gz OWJIOXUWMGGCSC-UHFFFAOYSA-N 1 0 311.813 3.925 20 5 DHBDRO C[NH+](C)CCc1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000301189340 336294058 /nfs/dbraw/zinc/29/40/58/336294058.db2.gz LMOSPNKFPHHHPU-UHFFFAOYSA-N 1 0 303.337 3.582 20 5 DHBDRO O=[N+]([O-])c1ccccc1NCc1nccn1CCc1ccccc1 ZINC000301586577 336316692 /nfs/dbraw/zinc/31/66/92/336316692.db2.gz RJYZABRWJBPZRU-UHFFFAOYSA-N 1 0 322.368 3.646 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000301820321 336332254 /nfs/dbraw/zinc/33/22/54/336332254.db2.gz AZOGLEDBFXYNEN-CRAIPNDOSA-N 1 0 311.385 3.761 20 5 DHBDRO Cc1cc(N2C[C@H](C)S[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302159747 336351595 /nfs/dbraw/zinc/35/15/95/336351595.db2.gz JOVVVSMFKHGAPC-RYUDHWBXSA-N 1 0 317.414 3.782 20 5 DHBDRO Cc1cc(NCc2ccccc2CO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302194397 336353332 /nfs/dbraw/zinc/35/33/32/336353332.db2.gz SAROCPXWNCIWGB-UHFFFAOYSA-N 1 0 323.352 3.556 20 5 DHBDRO Cc1cc(N(C)Cc2nccs2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302213929 336354225 /nfs/dbraw/zinc/35/42/25/336354225.db2.gz ZMAOIVHAQYHMQN-UHFFFAOYSA-N 1 0 314.370 3.544 20 5 DHBDRO Cc1cccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000302513503 336360495 /nfs/dbraw/zinc/36/04/95/336360495.db2.gz UHYHMQGWNQGQCA-HNNXBMFYSA-N 1 0 315.373 3.745 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+](C(C)C)CC1 ZINC000302800565 336369925 /nfs/dbraw/zinc/36/99/25/336369925.db2.gz CBUYCXRQOCLUIC-UHFFFAOYSA-N 1 0 311.813 3.841 20 5 DHBDRO CC1(C)CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000563913743 336383258 /nfs/dbraw/zinc/38/32/58/336383258.db2.gz SDEUOTBIBRFVHN-INIZCTEOSA-N 1 0 301.390 3.787 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]3C3CCC3)c2c1 ZINC000571678993 336392377 /nfs/dbraw/zinc/39/23/77/336392377.db2.gz FCGLLKRCHUGUCE-DOTOQJQBSA-N 1 0 313.401 3.787 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(OC2CCC2)CC1 ZINC000418096169 336399105 /nfs/dbraw/zinc/39/91/05/336399105.db2.gz UXCFCFWFBBETPN-GQCTYLIASA-N 1 0 316.401 3.642 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1nccs1 ZINC000353215433 336406774 /nfs/dbraw/zinc/40/67/74/336406774.db2.gz DQPVGYAMQJVCLE-JLHYYAGUSA-N 1 0 317.414 3.677 20 5 DHBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000354093516 336459027 /nfs/dbraw/zinc/45/90/27/336459027.db2.gz QELPOGDFIYMQHR-MRXNPFEDSA-N 1 0 303.337 3.616 20 5 DHBDRO CC[C@H]([NH2+]CC(CC)(CC)C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000354985933 336490323 /nfs/dbraw/zinc/49/03/23/336490323.db2.gz VDQJBUHANVIAPX-HNNXBMFYSA-N 1 0 322.405 3.615 20 5 DHBDRO CC[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358158181 336613928 /nfs/dbraw/zinc/61/39/28/336613928.db2.gz PGPMSBWEQISJEB-IAGOWNOFSA-N 1 0 318.348 3.508 20 5 DHBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000358367901 336626684 /nfs/dbraw/zinc/62/66/84/336626684.db2.gz LPMAADZYXJLCJP-QGZVFWFLSA-N 1 0 314.385 3.887 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000582431075 336974956 /nfs/dbraw/zinc/97/49/56/336974956.db2.gz RJPRAISWPHVUEQ-AEFFLSMTSA-N 1 0 312.369 3.559 20 5 DHBDRO C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000376124919 337027708 /nfs/dbraw/zinc/02/77/08/337027708.db2.gz ABIGMAADEKAUNL-CQSZACIVSA-N 1 0 311.385 3.762 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC23CCOCC3)ccc1Cl ZINC000376404606 337032725 /nfs/dbraw/zinc/03/27/25/337032725.db2.gz BBKFKCCCMHCXLL-OAHLLOKOSA-N 1 0 324.808 3.687 20 5 DHBDRO CSC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000193802227 337080303 /nfs/dbraw/zinc/08/03/03/337080303.db2.gz QZGNBOTTXBNSLM-HNNXBMFYSA-N 1 0 306.431 3.848 20 5 DHBDRO CCc1cnc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000178660109 337165817 /nfs/dbraw/zinc/16/58/17/337165817.db2.gz PFXJHGUSPMVJCC-NSHDSACASA-N 1 0 305.403 3.507 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000321109225 337198750 /nfs/dbraw/zinc/19/87/50/337198750.db2.gz BAWNKVDWQMLWCJ-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO C[C@@H](C[NH+](C)C)Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000584621211 337374797 /nfs/dbraw/zinc/37/47/97/337374797.db2.gz QYWHKEXYAGTIGF-ZDUSSCGKSA-N 1 0 300.358 3.591 20 5 DHBDRO COCC1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000419823387 337492571 /nfs/dbraw/zinc/49/25/71/337492571.db2.gz RZAVNHJFXXMZAD-UVTDQMKNSA-N 1 0 318.417 3.793 20 5 DHBDRO Cc1cncc([C@@H](C)[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000572440106 337645692 /nfs/dbraw/zinc/64/56/92/337645692.db2.gz QCYTUGFSRFSZLZ-CYBMUJFWSA-N 1 0 324.384 3.673 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCC1(O)CCC1)CCCC2 ZINC000421861452 337655920 /nfs/dbraw/zinc/65/59/20/337655920.db2.gz UGXDYQYAWNVKRL-KRWDZBQOSA-N 1 0 318.417 3.647 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCC1(O)CCC1)CCCC2 ZINC000421861453 337655933 /nfs/dbraw/zinc/65/59/33/337655933.db2.gz UGXDYQYAWNVKRL-QGZVFWFLSA-N 1 0 318.417 3.647 20 5 DHBDRO C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc([N+](=O)[O-])cc1 ZINC000423417429 337716606 /nfs/dbraw/zinc/71/66/06/337716606.db2.gz SJBXGFGBKOVDAG-ZDUSSCGKSA-N 1 0 311.385 3.804 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000536837249 337735504 /nfs/dbraw/zinc/73/55/04/337735504.db2.gz DUTXHFBAJZWYAY-KRWDZBQOSA-N 1 0 300.333 3.554 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000536845865 337744080 /nfs/dbraw/zinc/74/40/80/337744080.db2.gz MGDQXWVOVYXZSP-NOLJZWGESA-N 1 0 306.406 3.839 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000536847083 337744304 /nfs/dbraw/zinc/74/43/04/337744304.db2.gz SHVQXYJESRAGSL-KRWDZBQOSA-N 1 0 300.333 3.554 20 5 DHBDRO C[C@@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCS1 ZINC000120400316 337875078 /nfs/dbraw/zinc/87/50/78/337875078.db2.gz JMIJFDHJUKXKPW-WBVHZDCISA-N 1 0 320.458 3.791 20 5 DHBDRO CCC(CC)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000537052009 337884330 /nfs/dbraw/zinc/88/43/30/337884330.db2.gz PABIVFLYCRMJMR-QGZVFWFLSA-N 1 0 316.405 3.558 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000537305115 337929963 /nfs/dbraw/zinc/92/99/63/337929963.db2.gz CIUXWEOLPZLOHO-IAOVAPTHSA-N 1 0 318.417 3.983 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000122956862 337933003 /nfs/dbraw/zinc/93/30/03/337933003.db2.gz BBLPUZBFXWETJY-KGLIPLIRSA-N 1 0 314.385 3.891 20 5 DHBDRO COc1cccc(F)c1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123194961 337957685 /nfs/dbraw/zinc/95/76/85/337957685.db2.gz FCLNHKANBNOJFH-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515389258 337987672 /nfs/dbraw/zinc/98/76/72/337987672.db2.gz SQDCPMVXYBDZQB-PXAZEXFGSA-N 1 0 311.385 3.890 20 5 DHBDRO CN(CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429263149 338075238 /nfs/dbraw/zinc/07/52/38/338075238.db2.gz LCYDARZQPZDXMV-UHFFFAOYSA-N 1 0 313.401 3.556 20 5 DHBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000429680384 338087059 /nfs/dbraw/zinc/08/70/59/338087059.db2.gz HUBVIXNJPFHXNU-HOTGVXAUSA-N 1 0 324.446 3.628 20 5 DHBDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000430081365 338095237 /nfs/dbraw/zinc/09/52/37/338095237.db2.gz AVTRVSZYDXCNND-INIZCTEOSA-N 1 0 304.390 3.614 20 5 DHBDRO Cc1ccc(CCC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000430119271 338097740 /nfs/dbraw/zinc/09/77/40/338097740.db2.gz IKBCLGPAXMDFOS-UHFFFAOYSA-N 1 0 313.401 3.756 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000430211839 338101631 /nfs/dbraw/zinc/10/16/31/338101631.db2.gz BEBHCFHMKAFIJF-MRXNPFEDSA-N 1 0 318.398 3.906 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)CCC2 ZINC000430749369 338113473 /nfs/dbraw/zinc/11/34/73/338113473.db2.gz VKLIZZDWZUGFOQ-IAQYHMDHSA-N 1 0 310.344 3.997 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CCSCc1ccccc1 ZINC000430754954 338113796 /nfs/dbraw/zinc/11/37/96/338113796.db2.gz GTZVUIYSJBLKIY-UHFFFAOYSA-N 1 0 316.426 3.660 20 5 DHBDRO CC(C)(C)OC1CC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000432242632 338150106 /nfs/dbraw/zinc/15/01/06/338150106.db2.gz MOLSOVSEEMOBBS-UHFFFAOYSA-N 1 0 306.406 3.668 20 5 DHBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433173666 338184033 /nfs/dbraw/zinc/18/40/33/338184033.db2.gz HHFGUQJOBHWFIP-CXAGYDPISA-N 1 0 319.449 3.637 20 5 DHBDRO Cc1cncc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433302551 338190540 /nfs/dbraw/zinc/19/05/40/338190540.db2.gz JCOATOPYVLYVTR-QGZVFWFLSA-N 1 0 311.385 3.810 20 5 DHBDRO CCC(CC)(CO)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433305783 338190885 /nfs/dbraw/zinc/19/08/85/338190885.db2.gz QDRCCLVDSXHKCE-MRXNPFEDSA-N 1 0 320.433 3.706 20 5 DHBDRO CC1(C)CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000434713993 338223802 /nfs/dbraw/zinc/22/38/02/338223802.db2.gz MEJKIZZFGXFEPZ-UHFFFAOYSA-N 1 0 314.838 3.966 20 5 DHBDRO C[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000436403100 338270973 /nfs/dbraw/zinc/27/09/73/338270973.db2.gz FZIZHVZGRBONQR-WCQYABFASA-N 1 0 317.414 3.997 20 5 DHBDRO Cc1ccc2c(CC[NH2+]Cc3cccc([N+](=O)[O-])c3)cn(C)c2c1 ZINC000436416442 338271998 /nfs/dbraw/zinc/27/19/98/338271998.db2.gz SQJFMXVTHYJYLC-UHFFFAOYSA-N 1 0 323.396 3.727 20 5 DHBDRO Cc1ccc2cc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)ccc2n1 ZINC000437788777 338321558 /nfs/dbraw/zinc/32/15/58/338321558.db2.gz OQPZSEBNKUTPFD-UHFFFAOYSA-N 1 0 321.380 3.784 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000438482111 338345443 /nfs/dbraw/zinc/34/54/43/338345443.db2.gz KCZQJVVEPHBWTN-LBPRGKRZSA-N 1 0 304.312 3.970 20 5 DHBDRO CCC(CC)(CC)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000440732391 338396177 /nfs/dbraw/zinc/39/61/77/338396177.db2.gz VDIZCFBWRSVMAR-UHFFFAOYSA-N 1 0 310.394 3.541 20 5 DHBDRO COC[C@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000171051320 338526876 /nfs/dbraw/zinc/52/68/76/338526876.db2.gz HXYLTAQRXOIYAN-GFCCVEGCSA-N 1 0 320.414 3.695 20 5 DHBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449141223 338596589 /nfs/dbraw/zinc/59/65/89/338596589.db2.gz KVGXZFUVAKQUIQ-BPLDGKMQSA-N 1 0 308.447 3.790 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC1(F)F ZINC000449491262 338630543 /nfs/dbraw/zinc/63/05/43/338630543.db2.gz GAMVYADFYVUXBU-JSGCOSHPSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC1(F)F ZINC000449491261 338630636 /nfs/dbraw/zinc/63/06/36/338630636.db2.gz GAMVYADFYVUXBU-GXTWGEPZSA-N 1 0 312.360 3.941 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ncccc1C ZINC000449493261 338630987 /nfs/dbraw/zinc/63/09/87/338630987.db2.gz KYSPEKZKEJVZNG-KAMYIIQDSA-N 1 0 311.385 3.534 20 5 DHBDRO CCC[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000451442300 338734781 /nfs/dbraw/zinc/73/47/81/338734781.db2.gz VIQVHJGBHLNANV-HNNXBMFYSA-N 1 0 321.421 3.646 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2csc(C)c2)cc1[N+](=O)[O-] ZINC000453092045 338792824 /nfs/dbraw/zinc/79/28/24/338792824.db2.gz VLDRFRVKKRFXIE-NSHDSACASA-N 1 0 306.387 3.824 20 5 DHBDRO CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000453320987 338824385 /nfs/dbraw/zinc/82/43/85/338824385.db2.gz QGYAXGNRNCOJSV-JJRVBVJISA-N 1 0 306.406 3.697 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453405748 338839299 /nfs/dbraw/zinc/83/92/99/338839299.db2.gz FFPVNUMRPYHLOF-XJKSGUPXSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000459652339 339040614 /nfs/dbraw/zinc/04/06/14/339040614.db2.gz QHWHMWNPJNFZEK-OAHLLOKOSA-N 1 0 313.401 3.799 20 5 DHBDRO C[C@H](C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459786112 339048519 /nfs/dbraw/zinc/04/85/19/339048519.db2.gz BBSVJXBEKNQNPX-OLZOCXBDSA-N 1 0 322.405 3.565 20 5 DHBDRO CCC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000459815352 339049699 /nfs/dbraw/zinc/04/96/99/339049699.db2.gz YFXIOVJDXMOZBE-CYBMUJFWSA-N 1 0 302.378 3.530 20 5 DHBDRO COc1cc(C[NH2+]CCCCC2CCCC2)c([N+](=O)[O-])cc1O ZINC000462745696 339086591 /nfs/dbraw/zinc/08/65/91/339086591.db2.gz LXDWZZXSYQAIIA-UHFFFAOYSA-N 1 0 322.405 3.759 20 5 DHBDRO COc1cc(C[N@H+](C)C2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000463469547 339118939 /nfs/dbraw/zinc/11/89/39/339118939.db2.gz LJODAOPXCASGNP-UHFFFAOYSA-N 1 0 310.369 3.897 20 5 DHBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000464499010 339143662 /nfs/dbraw/zinc/14/36/62/339143662.db2.gz LRNNUIQHHPLEFE-LNSITVRQSA-N 1 0 322.380 3.753 20 5 DHBDRO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000466445793 339205244 /nfs/dbraw/zinc/20/52/44/339205244.db2.gz JYHLMSUUMPDCPT-BXUZGUMPSA-N 1 0 312.797 3.543 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cccc2cc[nH]c21 ZINC000466918221 339221396 /nfs/dbraw/zinc/22/13/96/339221396.db2.gz XCKLTTRRFNCZSV-XBXARRHUSA-N 1 0 307.353 3.879 20 5 DHBDRO COc1cc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1C ZINC000467851278 339247665 /nfs/dbraw/zinc/24/76/65/339247665.db2.gz MDVWPUAGVBOKEA-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000467999682 339250825 /nfs/dbraw/zinc/25/08/25/339250825.db2.gz FEZJHHVVLKDWBM-GOSISDBHSA-N 1 0 312.413 3.994 20 5 DHBDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000468547712 339265921 /nfs/dbraw/zinc/26/59/21/339265921.db2.gz KKFOODLNFQVRCI-MAUKXSAKSA-N 1 0 322.449 3.693 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCS1 ZINC000468612895 339267052 /nfs/dbraw/zinc/26/70/52/339267052.db2.gz SLXZKIUHYYUZQC-LRFDDAOPSA-N 1 0 306.431 3.873 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOCC(C)C ZINC000468626470 339267353 /nfs/dbraw/zinc/26/73/53/339267353.db2.gz FCKPXMFTCODOKN-GDNBJRDFSA-N 1 0 306.406 3.650 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(F)cc1 ZINC000468636056 339267655 /nfs/dbraw/zinc/26/76/55/339267655.db2.gz WONQNQFVNPJRIQ-UKTHLTGXSA-N 1 0 300.333 3.927 20 5 DHBDRO CCCC(O)(CCC)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468650516 339268072 /nfs/dbraw/zinc/26/80/72/339268072.db2.gz YLTGYTRUHJCMPQ-PTNGSMBKSA-N 1 0 320.433 3.919 20 5 DHBDRO CO[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000468735355 339269456 /nfs/dbraw/zinc/26/94/56/339269456.db2.gz SPXYFUNTNJTPIF-RCBBPTIPSA-N 1 0 306.406 3.649 20 5 DHBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000469994231 339307461 /nfs/dbraw/zinc/30/74/61/339307461.db2.gz YJPJFIPTOWPAIW-GFCCVEGCSA-N 1 0 302.296 3.758 20 5 DHBDRO CO[C@H](C)C[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000470179363 339313109 /nfs/dbraw/zinc/31/31/09/339313109.db2.gz WWGZSBIICQKIMR-AAWPKVBNSA-N 1 0 306.406 3.743 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470954775 339332543 /nfs/dbraw/zinc/33/25/43/339332543.db2.gz CCAYTKHMDBMQTM-CKYFFXLPSA-N 1 0 302.296 3.929 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470954776 339332690 /nfs/dbraw/zinc/33/26/90/339332690.db2.gz CCAYTKHMDBMQTM-FOGDFJRCSA-N 1 0 302.296 3.929 20 5 DHBDRO CC[NH+](CC)CCSc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473524542 339386854 /nfs/dbraw/zinc/38/68/54/339386854.db2.gz UYIKAOKGESVRCZ-UHFFFAOYSA-N 1 0 305.403 3.577 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CCC(C)(C)C ZINC000475666375 339458692 /nfs/dbraw/zinc/45/86/92/339458692.db2.gz BUKOGGOTXSLMIJ-HOCLYGCPSA-N 1 0 322.449 3.693 20 5 DHBDRO Cc1c([C@@H](C)NCC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000477907467 339504111 /nfs/dbraw/zinc/50/41/11/339504111.db2.gz BAGAMBVEMTUAOX-OAHLLOKOSA-N 1 0 319.449 3.676 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(Cc3ccccc3)CCC2)c(F)c1 ZINC000478223789 339510803 /nfs/dbraw/zinc/51/08/03/339510803.db2.gz GGEUZWLKDXQGKO-UHFFFAOYSA-N 1 0 314.360 3.989 20 5 DHBDRO Cc1c(C[NH2+][C@H](c2ccc(F)cn2)C(C)C)cccc1[N+](=O)[O-] ZINC000478505372 339516803 /nfs/dbraw/zinc/51/68/03/339516803.db2.gz GDWLXEOEOIHHEH-KRWDZBQOSA-N 1 0 317.364 3.924 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000479484064 339537441 /nfs/dbraw/zinc/53/74/41/339537441.db2.gz HCMVUDNHRHRRMM-MSOLQXFVSA-N 1 0 320.433 3.967 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)c1 ZINC000479878156 339552528 /nfs/dbraw/zinc/55/25/28/339552528.db2.gz ZMZRSPGKUHAGPS-UHFFFAOYSA-N 1 0 314.360 3.989 20 5 DHBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000480660838 339581719 /nfs/dbraw/zinc/58/17/19/339581719.db2.gz IYUGKAIFHNZGNF-ZWNOBZJWSA-N 1 0 316.323 3.704 20 5 DHBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000480660836 339581760 /nfs/dbraw/zinc/58/17/60/339581760.db2.gz IYUGKAIFHNZGNF-GXFFZTMASA-N 1 0 316.323 3.704 20 5 DHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000482144682 339624494 /nfs/dbraw/zinc/62/44/94/339624494.db2.gz RBRNWMUNKYQIQP-DLBZAZTESA-N 1 0 319.449 3.585 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000483714623 339672448 /nfs/dbraw/zinc/67/24/48/339672448.db2.gz PINVVOZZNKECJY-XOKHGSTOSA-N 1 0 318.417 3.902 20 5 DHBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000483873024 339677577 /nfs/dbraw/zinc/67/75/77/339677577.db2.gz SZHFRKGJWDBJTM-YLQAJVPDSA-N 1 0 306.406 3.757 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000484481188 339687286 /nfs/dbraw/zinc/68/72/86/339687286.db2.gz DBESNXJQZGAHTR-RCCFBDPRSA-N 1 0 320.433 3.967 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c(F)c1 ZINC000500449826 340059039 /nfs/dbraw/zinc/05/90/39/340059039.db2.gz BZSXJSHZWOFQLN-JTQLQIEISA-N 1 0 302.296 3.649 20 5 DHBDRO COCC[C@H]1CCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000502456628 340104373 /nfs/dbraw/zinc/10/43/73/340104373.db2.gz ZKTRXTPAFIVKCK-SJLPKXTDSA-N 1 0 320.433 3.712 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000502559023 340107756 /nfs/dbraw/zinc/10/77/56/340107756.db2.gz LNFWKOPQYSGIJM-ZLKJLUDKSA-N 1 0 314.332 3.796 20 5 DHBDRO CCSCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000502573854 340108136 /nfs/dbraw/zinc/10/81/36/340108136.db2.gz FNHAAZPDXABZOE-HNNXBMFYSA-N 1 0 308.447 3.649 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000503911331 340136543 /nfs/dbraw/zinc/13/65/43/340136543.db2.gz PFLSSBQWEOICBC-MPKXVKKWSA-N 1 0 314.332 3.714 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccc(Cl)o3)c2c1 ZINC000516599050 340174207 /nfs/dbraw/zinc/17/42/07/340174207.db2.gz TXWXOXUACZFDND-UHFFFAOYSA-N 1 0 319.748 3.655 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000506468467 340195153 /nfs/dbraw/zinc/19/51/53/340195153.db2.gz DMMIJKWVCURDSO-UHFFFAOYSA-N 1 0 314.360 3.941 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000162956258 340195533 /nfs/dbraw/zinc/19/55/33/340195533.db2.gz GZZYOHSDJGZNKE-ZENOOKHLSA-N 1 0 312.369 3.810 20 5 DHBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000507242552 340215171 /nfs/dbraw/zinc/21/51/71/340215171.db2.gz GSWDZCLFEMLRSU-UHFFFAOYSA-N 1 0 300.305 3.571 20 5 DHBDRO CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000507767090 340230519 /nfs/dbraw/zinc/23/05/19/340230519.db2.gz ACQRGBHBTDWHKN-POHAHGRESA-N 1 0 308.381 3.755 20 5 DHBDRO Cc1ccc(OCCC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000507952095 340236403 /nfs/dbraw/zinc/23/64/03/340236403.db2.gz SGTUVSCYHIMJIU-UHFFFAOYSA-N 1 0 314.385 3.770 20 5 DHBDRO CCC(CC)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOC ZINC000508520062 340245538 /nfs/dbraw/zinc/24/55/38/340245538.db2.gz XRCOJIDWJYFFHP-NTMALXAHSA-N 1 0 306.406 3.745 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000509446198 340269834 /nfs/dbraw/zinc/26/98/34/340269834.db2.gz GUIUPVSSVGDTTK-INIZCTEOSA-N 1 0 320.433 3.749 20 5 DHBDRO CCCC[C@H](CC)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000509604104 340274530 /nfs/dbraw/zinc/27/45/30/340274530.db2.gz UOSMNEVNRHKMAT-LBPRGKRZSA-N 1 0 310.394 3.615 20 5 DHBDRO O=[N+]([O-])c1ccccc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000302862707 340284695 /nfs/dbraw/zinc/28/46/95/340284695.db2.gz SGWIYRSFEUFQPU-INIZCTEOSA-N 1 0 311.385 3.671 20 5 DHBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000512317501 340356847 /nfs/dbraw/zinc/35/68/47/340356847.db2.gz CDDRTFYTLAQSPP-HNNXBMFYSA-N 1 0 314.360 3.723 20 5 DHBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512868751 340381761 /nfs/dbraw/zinc/38/17/61/340381761.db2.gz HXGOHNIDXPCUNS-RISCZKNCSA-N 1 0 318.398 3.696 20 5 DHBDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000513678175 340418946 /nfs/dbraw/zinc/41/89/46/340418946.db2.gz JDQBKKTVFKJTHN-GFCCVEGCSA-N 1 0 320.339 3.984 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)SC ZINC000537952388 340792869 /nfs/dbraw/zinc/79/28/69/340792869.db2.gz CRVZSUNBLSRVTP-NEPJUHHUSA-N 1 0 314.476 3.807 20 5 DHBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000538430095 340823430 /nfs/dbraw/zinc/82/34/30/340823430.db2.gz ROLKEJYPXKMQDU-FUHWJXTLSA-N 1 0 319.449 3.585 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000539059373 340869216 /nfs/dbraw/zinc/86/92/16/340869216.db2.gz BVEIGBVUGGDZOS-CYBMUJFWSA-N 1 0 312.369 3.784 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000539060879 340869363 /nfs/dbraw/zinc/86/93/63/340869363.db2.gz JYIMVEMOEKFBHW-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000539070546 340870396 /nfs/dbraw/zinc/87/03/96/340870396.db2.gz MZMNNSDSWANGET-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO CCOc1ccccc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000539077931 340871121 /nfs/dbraw/zinc/87/11/21/340871121.db2.gz OTICUIMDDKXRGC-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCSCC(F)(F)F ZINC000540161899 340919246 /nfs/dbraw/zinc/91/92/46/340919246.db2.gz BACAVSMZUDOKTL-JTQLQIEISA-N 1 0 322.352 3.849 20 5 DHBDRO Cc1ccc(OCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000540173480 340920561 /nfs/dbraw/zinc/92/05/61/340920561.db2.gz GLQFSJWIQKDSED-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO Cc1ccccc1OCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540189546 340922398 /nfs/dbraw/zinc/92/23/98/340922398.db2.gz BADMTGCGUMVNOK-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccco1 ZINC000129606271 340975551 /nfs/dbraw/zinc/97/55/51/340975551.db2.gz OJIROHXNIOWDPV-YOEHRIQHSA-N 1 0 314.385 3.731 20 5 DHBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)O1 ZINC000542485065 341009627 /nfs/dbraw/zinc/00/96/27/341009627.db2.gz HOFSBPZENCDOBT-ZDUSSCGKSA-N 1 0 312.797 3.684 20 5 DHBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000544185322 341073386 /nfs/dbraw/zinc/07/33/86/341073386.db2.gz ZTFGACNQUGYVOF-YVEFUNNKSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1cccc([C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000544192377 341074073 /nfs/dbraw/zinc/07/40/73/341074073.db2.gz QDRXOGUDKZLMEA-OAHLLOKOSA-N 1 0 302.399 3.954 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C/C(C)=C/c1ccccc1 ZINC000237192322 341208884 /nfs/dbraw/zinc/20/88/84/341208884.db2.gz IHHBBQKMTFOHFZ-GXDHUFHOSA-N 1 0 312.369 3.797 20 5 DHBDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000237716490 341218757 /nfs/dbraw/zinc/21/87/57/341218757.db2.gz QXEBIXWJSYROOZ-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO CC(C)n1ccnc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135221354 341233455 /nfs/dbraw/zinc/23/34/55/341233455.db2.gz CFWLSLORDSUGGZ-UHFFFAOYSA-N 1 0 314.389 3.537 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549227538 341289096 /nfs/dbraw/zinc/28/90/96/341289096.db2.gz BWWFYNSFTMGQEB-CCKFTAQKSA-N 1 0 310.397 3.919 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000549612348 341298939 /nfs/dbraw/zinc/29/89/39/341298939.db2.gz YOHFDOVKVBXENI-LXTVHRRPSA-N 1 0 306.406 3.839 20 5 DHBDRO CCc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000549808073 341303570 /nfs/dbraw/zinc/30/35/70/341303570.db2.gz IITYFJUVKMDODD-UHFFFAOYSA-N 1 0 304.415 3.893 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245605320 341304851 /nfs/dbraw/zinc/30/48/51/341304851.db2.gz QVRJBCLSVUOLPS-YXPYIKCWSA-N 1 0 306.406 3.982 20 5 DHBDRO COC1(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCC1 ZINC000550239894 341313292 /nfs/dbraw/zinc/31/32/92/341313292.db2.gz ZZGVPUBDKJTWAU-KAMYIIQDSA-N 1 0 304.390 3.547 20 5 DHBDRO C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000245845844 341315888 /nfs/dbraw/zinc/31/58/88/341315888.db2.gz IJNBQLTZYIPSSE-STQMWFEESA-N 1 0 315.373 3.870 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1F ZINC000551307533 341337988 /nfs/dbraw/zinc/33/79/88/341337988.db2.gz FDKGZHQFIUXXFA-UKMLZYKCSA-N 1 0 306.381 3.786 20 5 DHBDRO C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000248891428 341389569 /nfs/dbraw/zinc/38/95/69/341389569.db2.gz BYCBXEDJYIXQOZ-LSDHHAIUSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000248891425 341389588 /nfs/dbraw/zinc/38/95/88/341389588.db2.gz BYCBXEDJYIXQOZ-HUUCEWRRSA-N 1 0 305.422 3.510 20 5 DHBDRO COCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000266217863 341586816 /nfs/dbraw/zinc/58/68/16/341586816.db2.gz QKHTVTRAEZZQGQ-CYBMUJFWSA-N 1 0 300.358 3.592 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C(C)(C)O1 ZINC000567367189 341599055 /nfs/dbraw/zinc/59/90/55/341599055.db2.gz XPIRFORXKPFOJG-UKRRQHHQSA-N 1 0 304.390 3.518 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000568891460 341684570 /nfs/dbraw/zinc/68/45/70/341684570.db2.gz GNOLIFCZCYGDMY-WMLDXEAASA-N 1 0 320.433 3.743 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC1CCCC1)CCC2 ZINC000192768995 341887049 /nfs/dbraw/zinc/88/70/49/341887049.db2.gz LGYIHEAUQXWRCV-KRWDZBQOSA-N 1 0 304.390 3.521 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000349201789 341965601 /nfs/dbraw/zinc/96/56/01/341965601.db2.gz MIOWCRBBMPTJIQ-KCQAQPDRSA-N 1 0 322.405 3.602 20 5 DHBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000337320187 519641343 /nfs/dbraw/zinc/64/13/43/519641343.db2.gz OOMBLBJGODDXAH-UHFFFAOYSA-N 1 0 319.405 3.576 20 5 DHBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267054483 520272900 /nfs/dbraw/zinc/27/29/00/520272900.db2.gz RKWVWWLAEPZIKB-OAHLLOKOSA-N 1 0 310.369 3.515 20 5 DHBDRO CCC[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157781939 520792899 /nfs/dbraw/zinc/79/28/99/520792899.db2.gz IPWNBACPKRIAMS-JQHSSLGASA-N 1 0 318.417 3.983 20 5 DHBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000267398070 521006555 /nfs/dbraw/zinc/00/65/55/521006555.db2.gz FINHXNLJGSOLSV-ZDUSSCGKSA-N 1 0 300.358 3.844 20 5 DHBDRO CCC[C@H]([NH2+]CCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000156012351 521158635 /nfs/dbraw/zinc/15/86/35/521158635.db2.gz UPXOHHXOUBGFSL-KRWDZBQOSA-N 1 0 317.389 3.873 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000156772545 521170565 /nfs/dbraw/zinc/17/05/65/521170565.db2.gz HDFJJLSGAGZDBJ-JQFCIGGWSA-N 1 0 306.406 3.983 20 5 DHBDRO CCOC1CC(CC[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000189260994 521647273 /nfs/dbraw/zinc/64/72/73/521647273.db2.gz ZXCPBPOZWNXHAJ-QWFMPGPPSA-N 1 0 306.406 3.841 20 5 DHBDRO COc1cc(C[NH2+]C[C@@H]2CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000339577821 522459641 /nfs/dbraw/zinc/45/96/41/522459641.db2.gz RNIZCPWLKXSYEL-ZDUSSCGKSA-N 1 0 322.405 3.528 20 5 DHBDRO CC[C@H]([NH2+]CC1(SC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181162184 522572363 /nfs/dbraw/zinc/57/23/63/522572363.db2.gz OUMCVGBOQZXKBE-HNNXBMFYSA-N 1 0 324.446 3.548 20 5 DHBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000181236622 523459479 /nfs/dbraw/zinc/45/94/79/523459479.db2.gz JLSKSOIVOCHPIX-CHWSQXEVSA-N 1 0 302.378 3.531 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000160583115 525310943 /nfs/dbraw/zinc/31/09/43/525310943.db2.gz PLPSORVIMGYKGA-NSHDSACASA-N 1 0 320.414 3.745 20 5 DHBDRO C[C@H]([NH2+]CCCCNc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000162906139 525335990 /nfs/dbraw/zinc/33/59/90/525335990.db2.gz FLSLFZMDLKTSIT-AWEZNQCLSA-N 1 0 314.389 3.533 20 5 DHBDRO CSC1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000227993125 525340607 /nfs/dbraw/zinc/34/06/07/525340607.db2.gz OUPKJMCOSNGTMV-UHFFFAOYSA-N 1 0 303.387 3.759 20 5 DHBDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000162935933 525638461 /nfs/dbraw/zinc/63/84/61/525638461.db2.gz RBXQBSIVHFHBKC-CSFVBSKPSA-N 1 0 316.401 3.593 20 5 DHBDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000162936050 525695402 /nfs/dbraw/zinc/69/54/02/525695402.db2.gz RBXQBSIVHFHBKC-QCPWZWHMSA-N 1 0 316.401 3.593 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cccc1[N+](=O)[O-] ZINC000126608393 525894675 /nfs/dbraw/zinc/89/46/75/525894675.db2.gz LWIFSGGVGPZRNY-WZYMTQMTSA-N 1 0 317.433 3.569 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000266748669 526118201 /nfs/dbraw/zinc/11/82/01/526118201.db2.gz PLASEFGPNBKUJJ-HZPDHXFCSA-N 1 0 317.433 3.606 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266947809 527355748 /nfs/dbraw/zinc/35/57/48/527355748.db2.gz SIXYVIRAYBSGMW-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000112978300 527387169 /nfs/dbraw/zinc/38/71/69/527387169.db2.gz RHCZDLCMEAPTOO-UHFFFAOYSA-N 1 0 312.369 3.713 20 5 DHBDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000297219890 535065700 /nfs/dbraw/zinc/06/57/00/535065700.db2.gz HEAMKEVRCSROAI-QWHCGFSZSA-N 1 0 302.378 3.784 20 5 DHBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000297217618 536903972 /nfs/dbraw/zinc/90/39/72/536903972.db2.gz HBUNIXDHAMXPBG-RYUDHWBXSA-N 1 0 316.357 3.721 20 5 DHBDRO CC[C@H]1CCC[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000425996524 1013066248 /nfs/dbraw/zinc/06/62/48/1013066248.db2.gz QQHUZNBSENIXBN-GJZGRUSLSA-N 1 0 320.437 3.645 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000610271250 1013548151 /nfs/dbraw/zinc/54/81/51/1013548151.db2.gz UEJZHOPKVVLBKY-UHFFFAOYSA-N 1 0 324.384 3.584 20 5 DHBDRO COc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000237240112 1014533278 /nfs/dbraw/zinc/53/32/78/1014533278.db2.gz OAECJAQDEQDABE-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)C(F)(F)F ZINC000581263608 1014661179 /nfs/dbraw/zinc/66/11/79/1014661179.db2.gz WTVAGYBYTKVWAT-UHFFFAOYSA-N 1 0 320.311 3.672 20 5 DHBDRO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000126344309 1014664106 /nfs/dbraw/zinc/66/41/06/1014664106.db2.gz DKHWHORWLSRIJI-UHFFFAOYSA-N 1 0 305.403 3.949 20 5 DHBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000581380040 1014753399 /nfs/dbraw/zinc/75/33/99/1014753399.db2.gz GCAYJVXBHPIMCN-JOYOIKCWSA-N 1 0 302.296 3.760 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000442855953 1014757904 /nfs/dbraw/zinc/75/79/04/1014757904.db2.gz CLLPVAAYTXRATD-NSHDSACASA-N 1 0 320.776 3.847 20 5 DHBDRO C[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276269677 1014911078 /nfs/dbraw/zinc/91/10/78/1014911078.db2.gz ZJRVJEKPWRQYTL-GRYCIOLGSA-N 1 0 316.361 3.579 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCCCC2)c1F ZINC001173175244 1033581847 /nfs/dbraw/zinc/58/18/47/1033581847.db2.gz MEHUNGOENPWEAW-NSHDSACASA-N 1 0 310.369 3.596 20 5 DHBDRO Cc1ccc(C(C)(C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000759183906 1014966933 /nfs/dbraw/zinc/96/69/33/1014966933.db2.gz CYVCRRVYRUSZHL-UHFFFAOYSA-N 1 0 319.792 3.977 20 5 DHBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000522269024 1014993478 /nfs/dbraw/zinc/99/34/78/1014993478.db2.gz RBRIHUDWDSVSEC-UHFFFAOYSA-N 1 0 306.312 3.548 20 5 DHBDRO COCC1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000414313312 1015472384 /nfs/dbraw/zinc/47/23/84/1015472384.db2.gz OSDFJQIJHINKJX-LEHRNKBSSA-N 1 0 318.417 3.767 20 5 DHBDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581623 1015629405 /nfs/dbraw/zinc/62/94/05/1015629405.db2.gz DBBLQQJYWZTZSH-CQSZACIVSA-N 1 0 303.362 3.747 20 5 DHBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581134 1015629538 /nfs/dbraw/zinc/62/95/38/1015629538.db2.gz PVCCMVRWQAUVMG-BXUZGUMPSA-N 1 0 303.362 3.747 20 5 DHBDRO COc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000060773956 1015649481 /nfs/dbraw/zinc/64/94/81/1015649481.db2.gz KITHGGMUEFOBKD-UHFFFAOYSA-N 1 0 320.776 3.589 20 5 DHBDRO CCOc1cc(CN2CCC[C@@H]2c2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000276931228 1015757753 /nfs/dbraw/zinc/75/77/53/1015757753.db2.gz QWQQXWHLGLAAHF-OAHLLOKOSA-N 1 0 315.373 3.659 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](c3ccccc3)C3CC3)nc2c1 ZINC000341849273 1015769881 /nfs/dbraw/zinc/76/98/81/1015769881.db2.gz ZECFPIQNGBGIKN-SFHVURJKSA-N 1 0 322.368 3.712 20 5 DHBDRO CCCOc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000323518296 1015788944 /nfs/dbraw/zinc/78/89/44/1015788944.db2.gz SRMMHURMPYXDPI-UHFFFAOYSA-N 1 0 314.385 3.982 20 5 DHBDRO CCOc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276987949 1015838666 /nfs/dbraw/zinc/83/86/66/1015838666.db2.gz ZPFAQDWAEVAVAO-CYBMUJFWSA-N 1 0 300.358 3.844 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2COc3c2cccc3Cl)cc1 ZINC000610811057 1015853473 /nfs/dbraw/zinc/85/34/73/1015853473.db2.gz CKIUTJHKQNLMDS-OAHLLOKOSA-N 1 0 318.760 3.514 20 5 DHBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000538726636 1016157782 /nfs/dbraw/zinc/15/77/82/1016157782.db2.gz LHRLRIBXBAYTPF-LBPRGKRZSA-N 1 0 318.398 3.544 20 5 DHBDRO C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178532434 1016326345 /nfs/dbraw/zinc/32/63/45/1016326345.db2.gz OHRGGJJWTJOJLB-CJNGLKHVSA-N 1 0 307.438 3.612 20 5 DHBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCCC1 ZINC000159415173 1035048261 /nfs/dbraw/zinc/04/82/61/1035048261.db2.gz IGFIHYHGMQIFSV-UHFFFAOYSA-N 1 0 313.195 3.732 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc3c2NCC3)C2CC2)cc1 ZINC000346823193 1016568097 /nfs/dbraw/zinc/56/80/97/1016568097.db2.gz NBEKHMOBXZWDSB-UHFFFAOYSA-N 1 0 323.396 3.727 20 5 DHBDRO COc1ccc(C[NH2+]C2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000281608405 1016629697 /nfs/dbraw/zinc/62/96/97/1016629697.db2.gz AWWLQSRBIQHFFH-UHFFFAOYSA-N 1 0 314.332 3.517 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCCc3c(O)cccc32)cccc1[N+](=O)[O-] ZINC000192349987 1016678337 /nfs/dbraw/zinc/67/83/37/1016678337.db2.gz TUXCFEOWPQEKMV-MRXNPFEDSA-N 1 0 312.369 3.776 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000281742562 1016704406 /nfs/dbraw/zinc/70/44/06/1016704406.db2.gz RREQCVAFGLHJSJ-SECBINFHSA-N 1 0 304.724 3.773 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)c(Cl)c1 ZINC000281844841 1016756379 /nfs/dbraw/zinc/75/63/79/1016756379.db2.gz AVYKUXCLPVIYGM-HNNXBMFYSA-N 1 0 324.808 3.687 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000444230377 1016887380 /nfs/dbraw/zinc/88/73/80/1016887380.db2.gz YEZZQRCAMOGLEM-CYBMUJFWSA-N 1 0 322.405 3.710 20 5 DHBDRO CCOC(C[N@H+](CC)[C@H](C)c1cc([N+](=O)[O-])ccc1C)OCC ZINC000846977028 1032176463 /nfs/dbraw/zinc/17/64/63/1032176463.db2.gz YFUCYFJULBIJLG-CQSZACIVSA-N 1 0 324.421 3.685 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000927029726 1033348157 /nfs/dbraw/zinc/34/81/57/1033348157.db2.gz FCXKQLHLAUKUTK-SGMGOOAPSA-N 1 0 324.446 3.928 20 5 DHBDRO Cc1nn(CN2CCC[C@H]2c2ccccc2C)c(C)c1[N+](=O)[O-] ZINC000054566156 1032345259 /nfs/dbraw/zinc/34/52/59/1032345259.db2.gz ZNPVFDSLLHYZNF-INIZCTEOSA-N 1 0 314.389 3.511 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000248706185 1017261114 /nfs/dbraw/zinc/26/11/14/1017261114.db2.gz HQUNHWIFQGLCRD-LBRJOISOSA-N 1 0 316.401 3.511 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(C(F)F)CC2)o1 ZINC000475216529 1017087259 /nfs/dbraw/zinc/08/72/59/1017087259.db2.gz OUMZAYZWWORXPB-UHFFFAOYSA-N 1 0 322.311 3.990 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282769484 1032479016 /nfs/dbraw/zinc/47/90/16/1032479016.db2.gz UTLDFKWMALFIHT-YXMMZVCTSA-N 1 0 316.401 3.547 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000773141927 1032573752 /nfs/dbraw/zinc/57/37/52/1032573752.db2.gz YIDOLKMFKARWMD-BTQDYEIMSA-N 1 0 324.471 3.625 20 5 DHBDRO C[C@@H]1C[C@@H](Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000557589813 1011927018 /nfs/dbraw/zinc/92/70/18/1011927018.db2.gz ZHLJVTIAUDQWAM-SCZZXKLOSA-N 1 0 318.204 3.796 20 5 DHBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430201450 1012325082 /nfs/dbraw/zinc/32/50/82/1012325082.db2.gz JPMADDVDMWXRFV-ZBFHGGJFSA-N 1 0 324.446 3.757 20 5 DHBDRO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000515190868 1012573256 /nfs/dbraw/zinc/57/32/56/1012573256.db2.gz PEWMJFIKTBMAHR-HUUCEWRRSA-N 1 0 307.438 3.674 20 5 DHBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000515437202 1012627579 /nfs/dbraw/zinc/62/75/79/1012627579.db2.gz RKFDYUVLKPOFCJ-TVQRCGJNSA-N 1 0 302.296 3.892 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000537689250 1032642378 /nfs/dbraw/zinc/64/23/78/1032642378.db2.gz JQEHYCODTUAPJO-DOTOQJQBSA-N 1 0 318.417 3.719 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000515744491 1012708444 /nfs/dbraw/zinc/70/84/44/1012708444.db2.gz LGROBRUHGODFMW-KRWDZBQOSA-N 1 0 314.360 3.941 20 5 DHBDRO C[C@@H](CCC(C)(C)C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515832335 1012729444 /nfs/dbraw/zinc/72/94/44/1012729444.db2.gz SFWWBBHITTWRSX-ZDUSSCGKSA-N 1 0 321.421 3.728 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000475271330 1017110931 /nfs/dbraw/zinc/11/09/31/1017110931.db2.gz CLUHHHASYFDDPY-ZWNOBZJWSA-N 1 0 302.296 3.676 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000925155557 1017548569 /nfs/dbraw/zinc/54/85/69/1017548569.db2.gz WHPJFUCEBYUUSP-GOSISDBHSA-N 1 0 311.385 3.663 20 5 DHBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649904 1017604649 /nfs/dbraw/zinc/60/46/49/1017604649.db2.gz LMPXBTZXZCTSLW-GFCCVEGCSA-N 1 0 302.378 3.626 20 5 DHBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686858 1017615993 /nfs/dbraw/zinc/61/59/93/1017615993.db2.gz UHSZBRBWSILBPI-MLGOLLRUSA-N 1 0 316.405 3.872 20 5 DHBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083198425 1017629035 /nfs/dbraw/zinc/62/90/35/1017629035.db2.gz FRWHYOIVWHMZJY-XUJVJEKNSA-N 1 0 315.373 3.889 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000268791056 1017741757 /nfs/dbraw/zinc/74/17/57/1017741757.db2.gz GCPSGQAYDQLLAU-ZDUSSCGKSA-N 1 0 300.358 3.502 20 5 DHBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)o1 ZINC000572878027 1017748607 /nfs/dbraw/zinc/74/86/07/1017748607.db2.gz LZCYLZDJQCWYBN-VXGBXAGGSA-N 1 0 304.321 3.835 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000356787618 1017749146 /nfs/dbraw/zinc/74/91/46/1017749146.db2.gz PDIPGRAFDKYUEP-UNEWFSDZSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@H]([NH2+][C@H]1Cc2[nH]c3ccccc3c2C1)c1ccccc1[N+](=O)[O-] ZINC000282512352 1017764189 /nfs/dbraw/zinc/76/41/89/1017764189.db2.gz ZBIWABJVYYTQSV-QWHCGFSZSA-N 1 0 321.380 3.894 20 5 DHBDRO Cc1ccc(CN(Cc2cccc([N+](=O)[O-])c2C)C2CC2)o1 ZINC000051967676 1017789834 /nfs/dbraw/zinc/78/98/34/1017789834.db2.gz XWGAHLIWIMFFRX-UHFFFAOYSA-N 1 0 300.358 3.969 20 5 DHBDRO Cc1c([C@H](C)N[C@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000153741953 1018004314 /nfs/dbraw/zinc/00/43/14/1018004314.db2.gz MVCPBLKVTCSHHM-GJZGRUSLSA-N 1 0 317.433 3.571 20 5 DHBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC2(CCCC2)O1 ZINC000558720547 1018074952 /nfs/dbraw/zinc/07/49/52/1018074952.db2.gz WFTVKDJDQFLEKQ-OAHLLOKOSA-N 1 0 304.390 3.518 20 5 DHBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]2c2ccncc2)ccc1Cl ZINC000154077282 1018103557 /nfs/dbraw/zinc/10/35/57/1018103557.db2.gz UPPPDFZCOZSBRI-HNNXBMFYSA-N 1 0 317.776 3.980 20 5 DHBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1C ZINC000446798115 1018252112 /nfs/dbraw/zinc/25/21/12/1018252112.db2.gz WVLWOXZLTYJLJS-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446832329 1018263502 /nfs/dbraw/zinc/26/35/02/1018263502.db2.gz ASTYKTORHJOYLB-GFCCVEGCSA-N 1 0 302.378 3.696 20 5 DHBDRO CC(=Cc1ccccc1)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446833713 1018263606 /nfs/dbraw/zinc/26/36/06/1018263606.db2.gz DTULXQKZBIJEJR-LCYFTJDESA-N 1 0 322.368 3.664 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOC1CCCC1)CCC2 ZINC000447527498 1018404835 /nfs/dbraw/zinc/40/48/35/1018404835.db2.gz FDUHJAKRSRUPOS-GOSISDBHSA-N 1 0 318.417 3.911 20 5 DHBDRO CC(C)[NH+](CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000447511433 1018406328 /nfs/dbraw/zinc/40/63/28/1018406328.db2.gz UHVXBOBIFMQHCW-SFHVURJKSA-N 1 0 319.449 3.681 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOc1ccccc1)CCC2 ZINC000447513766 1018406584 /nfs/dbraw/zinc/40/65/84/1018406584.db2.gz YUPPBSHELFLWTG-GOSISDBHSA-N 1 0 312.369 3.641 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cccc(F)c1)CCC2 ZINC000447507475 1018406993 /nfs/dbraw/zinc/40/69/93/1018406993.db2.gz HYRYGVSVBNAYRZ-SFHVURJKSA-N 1 0 314.360 3.944 20 5 DHBDRO Cc1nc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cs1 ZINC000447540816 1018414599 /nfs/dbraw/zinc/41/45/99/1018414599.db2.gz KOGKKSHVZSFNIG-MRXNPFEDSA-N 1 0 317.414 3.569 20 5 DHBDRO C[C@@H]([NH2+]CCCOc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000764928575 1018432027 /nfs/dbraw/zinc/43/20/27/1018432027.db2.gz OSKBZKUKRDDPBU-CYBMUJFWSA-N 1 0 318.348 3.854 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC3CC3)cs2)c1 ZINC000174606568 1018450547 /nfs/dbraw/zinc/45/05/47/1018450547.db2.gz HYVBXLZHIORCQB-UHFFFAOYSA-N 1 0 303.387 3.608 20 5 DHBDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000583578391 1018570734 /nfs/dbraw/zinc/57/07/34/1018570734.db2.gz OPEJTUOMXSGLGO-KGLIPLIRSA-N 1 0 304.390 3.614 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000921819230 1018900158 /nfs/dbraw/zinc/90/01/58/1018900158.db2.gz WNKFMWJPZAAMME-QGZVFWFLSA-N 1 0 314.389 3.757 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccnn1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000921819229 1018905086 /nfs/dbraw/zinc/90/50/86/1018905086.db2.gz WNKFMWJPZAAMME-KRWDZBQOSA-N 1 0 314.389 3.757 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCCCSC)cc1[N+](=O)[O-] ZINC000153880272 1018934875 /nfs/dbraw/zinc/93/48/75/1018934875.db2.gz IWLWYQFPHQZFOU-LBPRGKRZSA-N 1 0 312.435 3.787 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccc(F)cc21 ZINC000584125732 1018966055 /nfs/dbraw/zinc/96/60/55/1018966055.db2.gz YVFXODSLLMLNLD-GOSISDBHSA-N 1 0 314.360 3.896 20 5 DHBDRO CC[C@H](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001168693469 1019069713 /nfs/dbraw/zinc/06/97/13/1019069713.db2.gz MNEJLQUTXYUCQK-UONOGXRCSA-N 1 0 323.437 3.772 20 5 DHBDRO Cc1cc(C)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000278733999 1019103458 /nfs/dbraw/zinc/10/34/58/1019103458.db2.gz QQQZLIAAUDOCME-UHFFFAOYSA-N 1 0 324.384 3.686 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC=CO3)o2)cc1 ZINC000780567369 1019289225 /nfs/dbraw/zinc/28/92/25/1019289225.db2.gz RZQBTICPDJRHIB-HNNXBMFYSA-N 1 0 314.341 3.637 20 5 DHBDRO COc1cccc(C[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000089623214 1019357299 /nfs/dbraw/zinc/35/72/99/1019357299.db2.gz UXVYIICCVSLDHY-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO CCC1(O)CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000611327521 1019445639 /nfs/dbraw/zinc/44/56/39/1019445639.db2.gz HJINNGXRXQVEFU-BZOOQXSSSA-N 1 0 306.406 3.638 20 5 DHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000611370282 1019456953 /nfs/dbraw/zinc/45/69/53/1019456953.db2.gz FOWLEMNOTJNMAG-JSGCOSHPSA-N 1 0 317.414 3.904 20 5 DHBDRO O=[N+]([O-])c1ccsc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611411512 1019474309 /nfs/dbraw/zinc/47/43/09/1019474309.db2.gz IKYXIPFSYWWCHK-UHFFFAOYSA-N 1 0 323.462 3.749 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)C1CC1 ZINC000611475694 1019498305 /nfs/dbraw/zinc/49/83/05/1019498305.db2.gz ABPSOMWITCXOJA-UONOGXRCSA-N 1 0 310.344 3.693 20 5 DHBDRO CC(C)[N@H+](Cc1ccc(O)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000611526572 1019508055 /nfs/dbraw/zinc/50/80/55/1019508055.db2.gz UYXWUJWLXKOROG-UHFFFAOYSA-N 1 0 300.358 3.711 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000282187658 1019578353 /nfs/dbraw/zinc/57/83/53/1019578353.db2.gz WHZSDFHWAPLOGW-YOEHRIQHSA-N 1 0 318.417 3.903 20 5 DHBDRO COc1ccccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000079121344 1019676567 /nfs/dbraw/zinc/67/65/67/1019676567.db2.gz MGGMPNPATJCYOQ-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@@H](C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000727429299 1019712299 /nfs/dbraw/zinc/71/22/99/1019712299.db2.gz UWUKWTHECSROGY-AWEZNQCLSA-N 1 0 324.384 3.638 20 5 DHBDRO COc1cc(C[N@H+](C)C2CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000347582495 1019729278 /nfs/dbraw/zinc/72/92/78/1019729278.db2.gz QAYCRQNYOHMJIF-UHFFFAOYSA-N 1 0 314.332 3.613 20 5 DHBDRO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000922537397 1020118638 /nfs/dbraw/zinc/11/86/38/1020118638.db2.gz FJWFRGCPSVTLBQ-GFCCVEGCSA-N 1 0 314.389 3.533 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1ccc([N+](=O)[O-])cc1 ZINC000922540482 1020122085 /nfs/dbraw/zinc/12/20/85/1020122085.db2.gz JYLRBWHGYWTPNQ-CHWSQXEVSA-N 1 0 312.369 3.769 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccccc1F ZINC000731670868 1020135009 /nfs/dbraw/zinc/13/50/09/1020135009.db2.gz DNWXPWULRWPSFZ-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154963795 1020173444 /nfs/dbraw/zinc/17/34/44/1020173444.db2.gz LKENAQIYGALXKH-SWLSCSKDSA-N 1 0 319.430 3.610 20 5 DHBDRO CC[C@@H](C)C[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000732183878 1020209379 /nfs/dbraw/zinc/20/93/79/1020209379.db2.gz ULQGZLZBJFLXHX-SNVBAGLBSA-N 1 0 309.391 3.807 20 5 DHBDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000155801092 1020274062 /nfs/dbraw/zinc/27/40/62/1020274062.db2.gz MMXSKTOQQZTWOD-PBHICJAKSA-N 1 0 314.385 3.503 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCS1 ZINC000922843112 1020299250 /nfs/dbraw/zinc/29/92/50/1020299250.db2.gz PMUGGMFBSUFOHW-MWLCHTKSSA-N 1 0 300.811 3.622 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000122922402 1020314515 /nfs/dbraw/zinc/31/45/15/1020314515.db2.gz IPYMKDIUORSNMV-KBPBESRZSA-N 1 0 314.385 3.891 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000122922928 1020314571 /nfs/dbraw/zinc/31/45/71/1020314571.db2.gz IPYMKDIUORSNMV-KGLIPLIRSA-N 1 0 314.385 3.891 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000122922646 1020315736 /nfs/dbraw/zinc/31/57/36/1020315736.db2.gz IPYMKDIUORSNMV-ZIAGYGMSSA-N 1 0 314.385 3.891 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCc2cccnc21 ZINC000922880313 1020327272 /nfs/dbraw/zinc/32/72/72/1020327272.db2.gz CRZAQDCCWXXZIG-KZJSRBBCSA-N 1 0 309.369 3.670 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000766004107 1020332735 /nfs/dbraw/zinc/33/27/35/1020332735.db2.gz CQAMNHFVMXNNTH-STQMWFEESA-N 1 0 321.421 3.584 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000126187271 1020381142 /nfs/dbraw/zinc/38/11/42/1020381142.db2.gz IEOFSTITETWKJG-GUYCJALGSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000555794055 1020383678 /nfs/dbraw/zinc/38/36/78/1020383678.db2.gz QVVJIILTNXTOCL-RHSMWYFYSA-N 1 0 306.406 3.711 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000282680285 1020501209 /nfs/dbraw/zinc/50/12/09/1020501209.db2.gz JQXNPUFDOZDCCR-WMLDXEAASA-N 1 0 318.417 3.903 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000765850250 1020504935 /nfs/dbraw/zinc/50/49/35/1020504935.db2.gz WAKVUYGXTFVPMT-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO C[C@H](Cc1cccs1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774969 1020516515 /nfs/dbraw/zinc/51/65/15/1020516515.db2.gz CVKBMNRUJSHSDX-LLVKDONJSA-N 1 0 308.378 3.858 20 5 DHBDRO C[C@@H]1CC[NH2+]C[C@@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217938895 1020577276 /nfs/dbraw/zinc/57/72/76/1020577276.db2.gz JFKKXISFCKYKSZ-VLIAUNLRSA-N 1 0 306.409 3.903 20 5 DHBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)(C)C ZINC000734509553 1020617543 /nfs/dbraw/zinc/61/75/43/1020617543.db2.gz QTZGAIMGOLLOPX-JTQLQIEISA-N 1 0 316.348 3.968 20 5 DHBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001218026445 1020825352 /nfs/dbraw/zinc/82/53/52/1020825352.db2.gz ZBBFQNWLDIPLHW-PRHODGIISA-N 1 0 319.188 3.669 20 5 DHBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738052040 1020860618 /nfs/dbraw/zinc/86/06/18/1020860618.db2.gz BWTUXHQVBYZTPL-BBRMVZONSA-N 1 0 316.405 3.803 20 5 DHBDRO CC(C)[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000738242752 1020868185 /nfs/dbraw/zinc/86/81/85/1020868185.db2.gz ZGCULJOSBMYYKB-CQSZACIVSA-N 1 0 316.405 3.660 20 5 DHBDRO CCCC[NH+](CCCC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000582376561 1020931225 /nfs/dbraw/zinc/93/12/25/1020931225.db2.gz UOALATZYUCSAQH-UHFFFAOYSA-N 1 0 304.394 3.873 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccns1 ZINC000858577521 1032952014 /nfs/dbraw/zinc/95/20/14/1032952014.db2.gz QWIVHPSMVWWRMH-NWDGAFQWSA-N 1 0 305.403 3.723 20 5 DHBDRO COCC1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000414313314 1021084135 /nfs/dbraw/zinc/08/41/35/1021084135.db2.gz OSDFJQIJHINKJX-RWKZGTHUSA-N 1 0 318.417 3.767 20 5 DHBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC4(C3)CCCCC4)c2c1 ZINC000742163668 1021092042 /nfs/dbraw/zinc/09/20/42/1021092042.db2.gz DCHHUZLXFCAUBS-UHFFFAOYSA-N 1 0 314.389 3.558 20 5 DHBDRO CCOC(C)(C)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000188684931 1021097135 /nfs/dbraw/zinc/09/71/35/1021097135.db2.gz HIWCNBZVOFBSEF-ZBFHGGJFSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000537983624 1032960264 /nfs/dbraw/zinc/96/02/64/1032960264.db2.gz SACRIBXUAWSVQG-CYBMUJFWSA-N 1 0 317.364 3.802 20 5 DHBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278159 1021228744 /nfs/dbraw/zinc/22/87/44/1021228744.db2.gz RVTFIBQZNPFBSJ-IAOVAPTHSA-N 1 0 306.406 3.529 20 5 DHBDRO CC[C@H]([NH2+]CC1(OC)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000480684665 1021271777 /nfs/dbraw/zinc/27/17/77/1021271777.db2.gz UQGIFJCAXKHJLZ-INIZCTEOSA-N 1 0 306.406 3.985 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618568499 1021427123 /nfs/dbraw/zinc/42/71/23/1021427123.db2.gz XKHFJNOYTWPHJM-QLJPJBMISA-N 1 0 315.373 3.928 20 5 DHBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414484896 1021497365 /nfs/dbraw/zinc/49/73/65/1021497365.db2.gz QRGHKFUXYFLOJB-CYBMUJFWSA-N 1 0 318.373 3.617 20 5 DHBDRO C[NH+](C)Cc1ccc(NCc2ccc([N+](=O)[O-])cc2F)c(F)c1 ZINC000414502805 1021514877 /nfs/dbraw/zinc/51/48/77/1021514877.db2.gz VCZLPCFUWVAJTI-UHFFFAOYSA-N 1 0 321.327 3.547 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[C@H](SC)C1 ZINC000850439670 1021535796 /nfs/dbraw/zinc/53/57/96/1021535796.db2.gz QTDNSMBZMJLCJL-GVXVVHGQSA-N 1 0 310.419 3.538 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCSC(C)(C)C ZINC000850443540 1021537954 /nfs/dbraw/zinc/53/79/54/1021537954.db2.gz SUKFLVBXUBYQTE-NSHDSACASA-N 1 0 312.435 3.786 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@@H]2COC3(CCC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000850523304 1021575239 /nfs/dbraw/zinc/57/52/39/1021575239.db2.gz FSOSEOZRCDSONY-LRDDRELGSA-N 1 0 316.401 3.618 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1COC3(CCC3)C1)CCCC2 ZINC000850524039 1021578174 /nfs/dbraw/zinc/57/81/74/1021578174.db2.gz SQUZAROOCQVMAU-WMLDXEAASA-N 1 0 316.401 3.664 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000850528194 1021580018 /nfs/dbraw/zinc/58/00/18/1021580018.db2.gz JKSYEKMFVGRYEH-IWEFOYFVSA-N 1 0 312.369 3.732 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850530285 1021585164 /nfs/dbraw/zinc/58/51/64/1021585164.db2.gz YJGBPBFDIPFKEM-IGNZVWTISA-N 1 0 312.369 3.732 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CC2SCCS2)c2cc([N+](=O)[O-])ccc21 ZINC000850559963 1021605635 /nfs/dbraw/zinc/60/56/35/1021605635.db2.gz HOSSDLKUCGZUNT-ZDUSSCGKSA-N 1 0 324.471 3.713 20 5 DHBDRO COc1cccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000158971813 1021701537 /nfs/dbraw/zinc/70/15/37/1021701537.db2.gz UWTPXULEYCUKCX-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO C[C@@H]([NH2+]CCCOc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000538174317 1033004597 /nfs/dbraw/zinc/00/45/97/1033004597.db2.gz FBRDNHVGZATGCB-CYBMUJFWSA-N 1 0 318.348 3.854 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000619715627 1021845107 /nfs/dbraw/zinc/84/51/07/1021845107.db2.gz UTLDFKWMALFIHT-XQDHMALISA-N 1 0 316.401 3.547 20 5 DHBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000919963795 1021985726 /nfs/dbraw/zinc/98/57/26/1021985726.db2.gz FVHFFUVSUWFOBS-ZIAGYGMSSA-N 1 0 323.412 3.904 20 5 DHBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000122786000 1022057649 /nfs/dbraw/zinc/05/76/49/1022057649.db2.gz XHKUHZLIWVOMFN-KBPBESRZSA-N 1 0 314.385 3.972 20 5 DHBDRO CC1CCC([N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000776580394 1022097437 /nfs/dbraw/zinc/09/74/37/1022097437.db2.gz UVXIXBNZTSCRFH-RWKZGTHUSA-N 1 0 318.417 3.671 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000337493409 1033029840 /nfs/dbraw/zinc/02/98/40/1033029840.db2.gz GSALAIFLUQASPJ-ZDUSSCGKSA-N 1 0 300.333 3.723 20 5 DHBDRO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000893173353 1022145733 /nfs/dbraw/zinc/14/57/33/1022145733.db2.gz MYJXWNZYNOZJPJ-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000195417423 1022180353 /nfs/dbraw/zinc/18/03/53/1022180353.db2.gz RERLJDXSYZWRSA-MRXNPFEDSA-N 1 0 300.358 3.844 20 5 DHBDRO CCNC(=O)[C@@H](C)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000920957150 1022195728 /nfs/dbraw/zinc/19/57/28/1022195728.db2.gz KUZDXBWSHCNVMK-CQSZACIVSA-N 1 0 306.409 3.607 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)C1 ZINC001168980301 1022198063 /nfs/dbraw/zinc/19/80/63/1022198063.db2.gz CSFHZFJRJMHUHD-CSMYWGQOSA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cc(Cl)ccc2Cl)C1 ZINC001168964664 1022201749 /nfs/dbraw/zinc/20/17/49/1022201749.db2.gz VBLMDCLHBRLTCZ-GWCFXTLKSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCC(c3ccccc3)CC2)C1 ZINC001168966319 1022202984 /nfs/dbraw/zinc/20/29/84/1022202984.db2.gz HYJSYKMUWCNANG-LTDKPHRXSA-N 1 0 302.418 3.748 20 5 DHBDRO CC(C)(Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168966819 1022203234 /nfs/dbraw/zinc/20/32/34/1022203234.db2.gz LHMPDJMALWACIG-ZFWWWQNUSA-N 1 0 310.825 3.696 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC001168966306 1022203784 /nfs/dbraw/zinc/20/37/84/1022203784.db2.gz HTHAYAFOQHQTNL-JOYOIKCWSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3cccc(Cl)c3)CC2)C1 ZINC001168997031 1022207720 /nfs/dbraw/zinc/20/77/20/1022207720.db2.gz XCXUKHWMGDLLPL-GOEBONIOSA-N 1 0 322.836 3.698 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccc(F)cc3)CCC2)C1 ZINC001169004934 1022213538 /nfs/dbraw/zinc/21/35/38/1022213538.db2.gz SHHDCXDCCVCVEN-NVXWUHKLSA-N 1 0 320.408 3.574 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3cccc(Cl)c3)CC2)C1 ZINC001169011559 1022215569 /nfs/dbraw/zinc/21/55/69/1022215569.db2.gz KZIRHQBBRVCFSM-CXAGYDPISA-N 1 0 322.836 3.965 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3cccc4ccccc43)CC2)C1 ZINC001168990837 1022219304 /nfs/dbraw/zinc/21/93/04/1022219304.db2.gz DUUPLYOWXQVXBK-ZBFHGGJFSA-N 1 0 310.397 3.864 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@H]2c2ccccc2F)C1 ZINC001169030234 1022219965 /nfs/dbraw/zinc/21/99/65/1022219965.db2.gz XAZPJCZDPWPBBP-KEYYUXOJSA-N 1 0 306.381 3.798 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(CCc3ccccc3)CC2)C1 ZINC001169030422 1022220404 /nfs/dbraw/zinc/22/04/04/1022220404.db2.gz ZUGUKMRQZIDFRO-RTBURBONSA-N 1 0 316.445 3.777 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3cccc(F)c3)CC2)C1 ZINC001169039290 1022222168 /nfs/dbraw/zinc/22/21/68/1022222168.db2.gz PHRVDYATTPULCG-SJLPKXTDSA-N 1 0 320.408 3.526 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccccc3Cl)C2)C1 ZINC001169034558 1022222190 /nfs/dbraw/zinc/22/21/90/1022222190.db2.gz HUURMWDZEYYJFA-MCIONIFRSA-N 1 0 308.809 3.575 20 5 DHBDRO C[N@H+](Cc1cccc(Cl)c1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035291 1022222434 /nfs/dbraw/zinc/22/24/34/1022222434.db2.gz KARLPOILWUESCC-ZYHUDNBSSA-N 1 0 317.216 3.871 20 5 DHBDRO CC[C@@H]1CO[C@](C)(CCC(C)C)[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038910 1022222464 /nfs/dbraw/zinc/22/24/64/1022222464.db2.gz LGCIPCDGLCNJGR-QBPKDAKJSA-N 1 0 312.454 3.695 20 5 DHBDRO C[C@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCc2ccc(Cl)cc21 ZINC001169038870 1022223178 /nfs/dbraw/zinc/22/31/78/1022223178.db2.gz LBVKWXQNSWXWCB-HEHGZKQESA-N 1 0 322.836 3.747 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC001169041143 1022224962 /nfs/dbraw/zinc/22/49/62/1022224962.db2.gz BCDHREXMOVGFAQ-KCXAZCMYSA-N 1 0 308.809 3.922 20 5 DHBDRO C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169025301 1022228794 /nfs/dbraw/zinc/22/87/94/1022228794.db2.gz YLPBGMNUDMRFDE-ZYHUDNBSSA-N 1 0 317.216 3.871 20 5 DHBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169048699 1022229514 /nfs/dbraw/zinc/22/95/14/1022229514.db2.gz AQLFKEAVWFOZLV-YGRLFVJLSA-N 1 0 317.216 3.871 20 5 DHBDRO Cc1cc(C)cc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169046716 1022229741 /nfs/dbraw/zinc/22/97/41/1022229741.db2.gz MGEKNWYCNNRAKY-NJAFHUGGSA-N 1 0 302.418 3.886 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3ccc(F)cc3F)CC2)C1 ZINC001169054897 1022233475 /nfs/dbraw/zinc/23/34/75/1022233475.db2.gz OCNDPVQPCRQWSF-DOMZBBRYSA-N 1 0 324.371 3.590 20 5 DHBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000541385678 1022264846 /nfs/dbraw/zinc/26/48/46/1022264846.db2.gz GZUVEFGKSKGMEP-YVEFUNNKSA-N 1 0 316.357 3.512 20 5 DHBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000763453599 1022291082 /nfs/dbraw/zinc/29/10/82/1022291082.db2.gz PMQAWMMXZNEKEC-HZPDHXFCSA-N 1 0 322.380 3.513 20 5 DHBDRO C[C@H](CNc1ccc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000609512757 1022296497 /nfs/dbraw/zinc/29/64/97/1022296497.db2.gz IKIRIIKLUWCMBN-GFCCVEGCSA-N 1 0 305.403 3.589 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)(C)O ZINC000609707865 1022336995 /nfs/dbraw/zinc/33/69/95/1022336995.db2.gz HOWDCDXEDOHMSX-LLVKDONJSA-N 1 0 320.414 3.572 20 5 DHBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000610133476 1022425413 /nfs/dbraw/zinc/42/54/13/1022425413.db2.gz RVOBAAVCRNJNHL-DJIMGWMZSA-N 1 0 318.417 3.620 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC001169567010 1022454918 /nfs/dbraw/zinc/45/49/18/1022454918.db2.gz LOMMJCXKRRXELL-WFASDCNBSA-N 1 0 306.406 3.908 20 5 DHBDRO CCN(C)C(=O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000185185655 1022465140 /nfs/dbraw/zinc/46/51/40/1022465140.db2.gz XMJGPKUCYVQMCF-UHFFFAOYSA-N 1 0 306.409 3.561 20 5 DHBDRO Cc1ccc2c(ccnc2NC(C)(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001169712093 1022515802 /nfs/dbraw/zinc/51/58/02/1022515802.db2.gz XSJHVXDWDJFXAC-UHFFFAOYSA-N 1 0 316.405 3.594 20 5 DHBDRO C[NH+](C)CCC(C)(C)Nc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001169718150 1022517594 /nfs/dbraw/zinc/51/75/94/1022517594.db2.gz RJDICORWOZZRDD-UHFFFAOYSA-N 1 0 301.390 3.890 20 5 DHBDRO CC(C)(C)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001169723754 1022519552 /nfs/dbraw/zinc/51/95/52/1022519552.db2.gz GXRRGUAXVHLYLR-AWEZNQCLSA-N 1 0 306.406 3.732 20 5 DHBDRO c1cnc2c(c1)cc(NCC13CC[NH+](CC1)CC3)c1cccnc12 ZINC001169802782 1022542094 /nfs/dbraw/zinc/54/20/94/1022542094.db2.gz QGNRIBJWQMCJLJ-UHFFFAOYSA-N 1 0 318.424 3.681 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cc(N(C)C)cc[nH+]1 ZINC000615727253 1022546756 /nfs/dbraw/zinc/54/67/56/1022546756.db2.gz DGTZZZQGMABMRD-LCYFTJDESA-N 1 0 312.373 3.571 20 5 DHBDRO Nc1ccc2cc3ccc(Nc4cc[nH]c(=O)c4)cc3[nH+]c2c1 ZINC001212278282 1022632691 /nfs/dbraw/zinc/63/26/91/1022632691.db2.gz QZMCDOBVUYIDES-UHFFFAOYSA-N 1 0 302.337 3.814 20 5 DHBDRO C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO[C@H]1C1CC1 ZINC000767195744 1022660681 /nfs/dbraw/zinc/66/06/81/1022660681.db2.gz QKNRIEDHBUCLGJ-JKSUJKDBSA-N 1 0 324.808 3.543 20 5 DHBDRO O=C(CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000180218809 1022663554 /nfs/dbraw/zinc/66/35/54/1022663554.db2.gz UBBFHUCXKLYSLW-UHFFFAOYSA-N 1 0 324.380 3.832 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]3OCCC[C@@H]13)CCCC2 ZINC000417316018 1022674332 /nfs/dbraw/zinc/67/43/32/1022674332.db2.gz AHHCXGKUCMNSLF-HPBDAGMYSA-N 1 0 316.401 3.519 20 5 DHBDRO CCC[C@@H](CCO)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314587 1022677934 /nfs/dbraw/zinc/67/79/34/1022677934.db2.gz RLNOTDZBZMPNLP-KSSFIOAISA-N 1 0 320.433 3.751 20 5 DHBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173304006 1022689434 /nfs/dbraw/zinc/68/94/34/1022689434.db2.gz JEEDWCOFJKXKCS-ZBEGNZNMSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417331165 1022689909 /nfs/dbraw/zinc/68/99/09/1022689909.db2.gz LXIYVYHEAXABHF-XUWXXGDYSA-N 1 0 318.417 3.625 20 5 DHBDRO Cc1ccncc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349922 1022693679 /nfs/dbraw/zinc/69/36/79/1022693679.db2.gz NJDWDIYHGNRTJV-SFHVURJKSA-N 1 0 311.385 3.856 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])CC(C)C ZINC000417387332 1022717187 /nfs/dbraw/zinc/71/71/87/1022717187.db2.gz ZAPLVGDQUZQEBN-GDBMZVCRSA-N 1 0 308.422 3.567 20 5 DHBDRO Cc1cc(NC2CC[NH+](C3CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080542998 1022725456 /nfs/dbraw/zinc/72/54/56/1022725456.db2.gz XSDCYIZPVJDUPU-UHFFFAOYSA-N 1 0 309.797 3.595 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000768088825 1022879192 /nfs/dbraw/zinc/87/91/92/1022879192.db2.gz BXJRCQWSMBWQBR-CHWSQXEVSA-N 1 0 318.373 3.868 20 5 DHBDRO CCOc1cc(C[NH2+][C@H](C)c2cnccc2C)ccc1[N+](=O)[O-] ZINC000617219550 1022900129 /nfs/dbraw/zinc/90/01/29/1022900129.db2.gz UKHLFHLZZJSTTJ-CYBMUJFWSA-N 1 0 315.373 3.548 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1Cl ZINC000857065575 1022939681 /nfs/dbraw/zinc/93/96/81/1022939681.db2.gz QXSKWVBEGZLUME-SECBINFHSA-N 1 0 323.607 3.922 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)cc1Cl ZINC000857065576 1022940111 /nfs/dbraw/zinc/94/01/11/1022940111.db2.gz QXSKWVBEGZLUME-VIFPVBQESA-N 1 0 323.607 3.922 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000387404711 1023104718 /nfs/dbraw/zinc/10/47/18/1023104718.db2.gz KEBLCLBZSQUAEZ-ZIAGYGMSSA-N 1 0 306.406 3.909 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNc1ccccc1 ZINC000786817870 1023731102 /nfs/dbraw/zinc/73/11/02/1023731102.db2.gz XCRXBYHERQJBOO-NTCAYCPXSA-N 1 0 311.385 3.700 20 5 DHBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000787308490 1023785604 /nfs/dbraw/zinc/78/56/04/1023785604.db2.gz SEDSLYPLNJMGHG-DZGCQCFKSA-N 1 0 312.410 3.888 20 5 DHBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)C(C)C ZINC000112658123 1023814739 /nfs/dbraw/zinc/81/47/39/1023814739.db2.gz LNKGRBCFTFVUTA-CQSZACIVSA-N 1 0 321.421 3.598 20 5 DHBDRO Cc1nc(N)ccc1CNc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001167785932 1023846335 /nfs/dbraw/zinc/84/63/35/1023846335.db2.gz HPMPNNBUOYUQHQ-UHFFFAOYSA-N 1 0 314.389 3.790 20 5 DHBDRO CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788588314 1023910312 /nfs/dbraw/zinc/91/03/12/1023910312.db2.gz LKBRACKISRXATK-XJKSGUPXSA-N 1 0 313.401 3.849 20 5 DHBDRO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638907 1023917964 /nfs/dbraw/zinc/91/79/64/1023917964.db2.gz JYPHSTDDXWPSRK-SOZUMNATSA-N 1 0 311.385 3.761 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788806945 1023936922 /nfs/dbraw/zinc/93/69/22/1023936922.db2.gz QOPMOAYBOCFILY-GFCCVEGCSA-N 1 0 322.368 3.576 20 5 DHBDRO COC[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000452110149 1023979423 /nfs/dbraw/zinc/97/94/23/1023979423.db2.gz YEJKFAHURGCQDG-HUUCEWRRSA-N 1 0 306.406 3.713 20 5 DHBDRO CCCCC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000876904910 1033178211 /nfs/dbraw/zinc/17/82/11/1033178211.db2.gz ACPKSYYGTAHIQI-AWEZNQCLSA-N 1 0 320.437 3.517 20 5 DHBDRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000893569055 1024122990 /nfs/dbraw/zinc/12/29/90/1024122990.db2.gz MACXEPVLXKNDTL-SECBINFHSA-N 1 0 311.794 3.598 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000268793877 1024163720 /nfs/dbraw/zinc/16/37/20/1024163720.db2.gz CUMGTRUKBLUMPS-SNVBAGLBSA-N 1 0 322.311 3.732 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCn2cnc3ccccc32)cccc1[N+](=O)[O-] ZINC000268816635 1024169609 /nfs/dbraw/zinc/16/96/09/1024169609.db2.gz KPPHCQRVIQUMHV-AWEZNQCLSA-N 1 0 324.384 3.604 20 5 DHBDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268895584 1024189031 /nfs/dbraw/zinc/18/90/31/1024189031.db2.gz OZQMMUJSMNTCPJ-RYUDHWBXSA-N 1 0 320.414 3.745 20 5 DHBDRO CC[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000159225450 1024206479 /nfs/dbraw/zinc/20/64/79/1024206479.db2.gz XGQZYEAYFONEMH-YESZJQIVSA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000221953993 1024224874 /nfs/dbraw/zinc/22/48/74/1024224874.db2.gz FVTCMKZTMZYTKM-NSHDSACASA-N 1 0 305.403 3.561 20 5 DHBDRO CC(C)[N@@H+](Cc1cccs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269694029 1024304901 /nfs/dbraw/zinc/30/49/01/1024304901.db2.gz VYTVYOXMFSVBAK-MRXNPFEDSA-N 1 0 320.414 3.600 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)c1ncccc1C ZINC000568686333 1024308581 /nfs/dbraw/zinc/30/85/81/1024308581.db2.gz RQAPIANEEUIEMV-UHFFFAOYSA-N 1 0 313.401 3.674 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000105477847 1024387175 /nfs/dbraw/zinc/38/71/75/1024387175.db2.gz HGSIECYMLSCXBV-UHFFFAOYSA-N 1 0 322.311 3.794 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000883351850 1024397232 /nfs/dbraw/zinc/39/72/32/1024397232.db2.gz NCQUFVJBPABOAW-XIRDDKMYSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883355927 1024399694 /nfs/dbraw/zinc/39/96/94/1024399694.db2.gz AHWVATRECQRMAL-GDBMZVCRSA-N 1 0 318.417 3.607 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC000883356667 1024401042 /nfs/dbraw/zinc/40/10/42/1024401042.db2.gz SDAQEAICQHQJIQ-UONOGXRCSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270631591 1024412645 /nfs/dbraw/zinc/41/26/45/1024412645.db2.gz MHODMACAZURGEI-LALPHHSUSA-N 1 0 320.414 3.819 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000453246155 1024423175 /nfs/dbraw/zinc/42/31/75/1024423175.db2.gz MJKBGZGAYHHKMJ-UBHSHLNASA-N 1 0 312.360 3.939 20 5 DHBDRO Cc1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000453284318 1024439254 /nfs/dbraw/zinc/43/92/54/1024439254.db2.gz IEIKLXXAQOKSQM-QGZVFWFLSA-N 1 0 311.385 3.810 20 5 DHBDRO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000453321409 1024462215 /nfs/dbraw/zinc/46/22/15/1024462215.db2.gz QUAXBXWRWDGIHK-ZQIUZPCESA-N 1 0 306.406 3.697 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccs1 ZINC000271168758 1024464049 /nfs/dbraw/zinc/46/40/49/1024464049.db2.gz TXKPAJOIJLSJMH-NSHDSACASA-N 1 0 323.443 3.712 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000271295021 1024484292 /nfs/dbraw/zinc/48/42/92/1024484292.db2.gz SOGMOKCIIOUMOH-GXTWGEPZSA-N 1 0 316.357 3.512 20 5 DHBDRO CC[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453367953 1024491834 /nfs/dbraw/zinc/49/18/34/1024491834.db2.gz MOZJWUTUGVYFCW-IAGOWNOFSA-N 1 0 304.390 3.548 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000453406543 1024503738 /nfs/dbraw/zinc/50/37/38/1024503738.db2.gz KRTKSGSHXGXBMZ-MJBXVCDLSA-N 1 0 324.446 3.623 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000453395559 1024512556 /nfs/dbraw/zinc/51/25/56/1024512556.db2.gz XHTPJWFOBFNKCE-ZDUSSCGKSA-N 1 0 306.406 3.577 20 5 DHBDRO CC1(C)C[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000453449282 1024528910 /nfs/dbraw/zinc/52/89/10/1024528910.db2.gz ZUYICESHQOEYEK-DYVFJYSZSA-N 1 0 318.417 3.767 20 5 DHBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCCF)cc1[N+](=O)[O-] ZINC000532270059 1024591771 /nfs/dbraw/zinc/59/17/71/1024591771.db2.gz RWFWSAGAZLETBW-UHFFFAOYSA-N 1 0 317.364 3.812 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)cc1F ZINC000283247061 1024616213 /nfs/dbraw/zinc/61/62/13/1024616213.db2.gz VDAOCZSNFHCEKN-UHFFFAOYSA-N 1 0 320.286 3.898 20 5 DHBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000278944654 1024630781 /nfs/dbraw/zinc/63/07/81/1024630781.db2.gz YGPKYNHYIYOKJE-SECBINFHSA-N 1 0 306.259 3.508 20 5 DHBDRO CCCO[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000108396910 1024640082 /nfs/dbraw/zinc/64/00/82/1024640082.db2.gz CMHLSUQVZIMHFM-INIZCTEOSA-N 1 0 306.406 3.684 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170298249 1024729293 /nfs/dbraw/zinc/72/92/93/1024729293.db2.gz HVVZAPXANDVFEE-DZKIICNBSA-N 1 0 320.433 3.950 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170298250 1024729424 /nfs/dbraw/zinc/72/94/24/1024729424.db2.gz HVVZAPXANDVFEE-IJEWVQPXSA-N 1 0 320.433 3.950 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170317756 1024741208 /nfs/dbraw/zinc/74/12/08/1024741208.db2.gz LDLILXCTCVUXHI-GXTWGEPZSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001170313029 1024741312 /nfs/dbraw/zinc/74/13/12/1024741312.db2.gz JCMAXDKESYCETO-BLLLJJGKSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170335921 1024747032 /nfs/dbraw/zinc/74/70/32/1024747032.db2.gz RAQWCCJVATZKPB-CQSZACIVSA-N 1 0 318.417 3.801 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH+]2CCCCCCC2)c([N+](=O)[O-])c1 ZINC001170348207 1024756849 /nfs/dbraw/zinc/75/68/49/1024756849.db2.gz VPUJEYOAHAUAHQ-CQSZACIVSA-N 1 0 306.406 3.801 20 5 DHBDRO CCOCCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279160676 1024768338 /nfs/dbraw/zinc/76/83/38/1024768338.db2.gz UBFNNWVTJOACTA-MRXNPFEDSA-N 1 0 306.406 3.724 20 5 DHBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749685128 1024771027 /nfs/dbraw/zinc/77/10/27/1024771027.db2.gz AZIPDZWNUYWDRU-JQFCIGGWSA-N 1 0 306.406 3.529 20 5 DHBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279176960 1024775706 /nfs/dbraw/zinc/77/57/06/1024775706.db2.gz VGFXQKMCDVULGU-WBMJQRKESA-N 1 0 320.433 3.704 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000319960209 1024912715 /nfs/dbraw/zinc/91/27/15/1024912715.db2.gz HEIBWRQENOMSPF-ROUUACIJSA-N 1 0 319.449 3.756 20 5 DHBDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000120721124 1025049193 /nfs/dbraw/zinc/04/91/93/1025049193.db2.gz CHYUKIOJFCCJJJ-GLJUWKHASA-N 1 0 314.385 3.758 20 5 DHBDRO CCC[C@@H]([NH2+]CC1(CO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000321697230 1025168188 /nfs/dbraw/zinc/16/81/88/1025168188.db2.gz VRIRSCBXQWHBSK-QGZVFWFLSA-N 1 0 320.433 3.968 20 5 DHBDRO CC[C@]1(C)CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000353685503 1025198595 /nfs/dbraw/zinc/19/85/95/1025198595.db2.gz IGXIIKWGUDIYKA-QGZVFWFLSA-N 1 0 322.405 3.624 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCOCC3)s2)cc1 ZINC000171050740 1025285026 /nfs/dbraw/zinc/28/50/26/1025285026.db2.gz MJHYZRHJHRIKCO-UHFFFAOYSA-N 1 0 318.398 3.592 20 5 DHBDRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000171129200 1025300150 /nfs/dbraw/zinc/30/01/50/1025300150.db2.gz NXJYBYWSULYZEI-CYBMUJFWSA-N 1 0 300.358 3.844 20 5 DHBDRO CCCCOC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000353996845 1025316892 /nfs/dbraw/zinc/31/68/92/1025316892.db2.gz GKBDYRIIZSYHOE-UHFFFAOYSA-N 1 0 306.406 3.684 20 5 DHBDRO CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897459116 1025350050 /nfs/dbraw/zinc/35/00/50/1025350050.db2.gz HPVUHEXFMAPCEI-QLFBSQMISA-N 1 0 306.406 3.636 20 5 DHBDRO C[C@H](C[NH2+]Cc1cccc(Cl)c1N)c1ccccc1[N+](=O)[O-] ZINC000897459129 1025352077 /nfs/dbraw/zinc/35/20/77/1025352077.db2.gz HVSHMOYHNMOTBX-LLVKDONJSA-N 1 0 319.792 3.724 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)C1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000897464799 1025368319 /nfs/dbraw/zinc/36/83/19/1025368319.db2.gz OPBOIRHACRNMRS-STQMWFEESA-N 1 0 308.447 3.820 20 5 DHBDRO C[C@H](c1cccc(Cl)c1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000885960191 1025418658 /nfs/dbraw/zinc/41/86/58/1025418658.db2.gz HVNZZVALNUCXLZ-LLVKDONJSA-N 1 0 305.765 3.836 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000354699650 1025484016 /nfs/dbraw/zinc/48/40/16/1025484016.db2.gz GJBVXELBEIXTHI-TZMCWYRMSA-N 1 0 316.357 3.512 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000136818560 1025486546 /nfs/dbraw/zinc/48/65/46/1025486546.db2.gz DFJAOICZCSCQDL-QZTJIDSGSA-N 1 0 314.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)CC2CCCC2)C2CC2)cc1 ZINC000354727005 1025493381 /nfs/dbraw/zinc/49/33/81/1025493381.db2.gz GLLNYLCPJPLVOL-GOSISDBHSA-N 1 0 318.417 3.500 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000886109315 1025508888 /nfs/dbraw/zinc/50/88/88/1025508888.db2.gz HNKQEBSNFOSXTD-CZUORRHYSA-N 1 0 304.390 3.595 20 5 DHBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000355211479 1025640071 /nfs/dbraw/zinc/64/00/71/1025640071.db2.gz BYPOBDGBZNZAQD-QGZVFWFLSA-N 1 0 306.406 3.719 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H](C)c1cscn1 ZINC000573626202 1025738924 /nfs/dbraw/zinc/73/89/24/1025738924.db2.gz YOTZRZHSPZKXRZ-HUMZTAOYSA-N 1 0 303.387 3.805 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000355534789 1025757577 /nfs/dbraw/zinc/75/75/77/1025757577.db2.gz UGDDADWUBKQHAG-UHFFFAOYSA-N 1 0 318.417 3.721 20 5 DHBDRO C[C@@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000886774105 1025893221 /nfs/dbraw/zinc/89/32/21/1025893221.db2.gz HRAPZLXHPUFKJG-RHSMWYFYSA-N 1 0 318.417 3.985 20 5 DHBDRO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000089511911 1026052662 /nfs/dbraw/zinc/05/26/62/1026052662.db2.gz IUKXHTHBBROFRH-JTQLQIEISA-N 1 0 305.403 3.773 20 5 DHBDRO C[C@H]([N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(C)CC1 ZINC000089909236 1026072985 /nfs/dbraw/zinc/07/29/85/1026072985.db2.gz ZVQRWJVIEAOETA-LBPRGKRZSA-N 1 0 315.373 3.870 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC2CCC2)CC1 ZINC000419281399 1026087354 /nfs/dbraw/zinc/08/73/54/1026087354.db2.gz GRABMIKQXUNRNT-ZDUSSCGKSA-N 1 0 304.390 3.689 20 5 DHBDRO COc1cc(F)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090972130 1026095439 /nfs/dbraw/zinc/09/54/39/1026095439.db2.gz MGAOSVRNMYGJDJ-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO COCc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000122064919 1026169508 /nfs/dbraw/zinc/16/95/08/1026169508.db2.gz LQNYDXBRCPZMGV-CQSZACIVSA-N 1 0 314.385 3.900 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289853376 1026201920 /nfs/dbraw/zinc/20/19/20/1026201920.db2.gz QKURNTJARZUOOC-UHOFOFEASA-N 1 0 304.390 3.545 20 5 DHBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000289946805 1026246360 /nfs/dbraw/zinc/24/63/60/1026246360.db2.gz WISRVNVFIADPBF-RYUDHWBXSA-N 1 0 316.357 3.721 20 5 DHBDRO CCC(CC)[C@@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302138015 1026273593 /nfs/dbraw/zinc/27/35/93/1026273593.db2.gz DPIFAJLATKKAMG-KRWDZBQOSA-N 1 0 317.389 3.660 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C12CCCC2 ZINC000809560653 1026550220 /nfs/dbraw/zinc/55/02/20/1026550220.db2.gz OJBNBVLCQLYHMH-HZPDHXFCSA-N 1 0 322.380 3.561 20 5 DHBDRO CC[C@@H]([NH2+]CCc1nc(C)cs1)c1cccc([N+](=O)[O-])c1 ZINC000063132584 1026648187 /nfs/dbraw/zinc/64/81/87/1026648187.db2.gz PELATGBGQDCIEW-CQSZACIVSA-N 1 0 305.403 3.643 20 5 DHBDRO Cc1csc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000063132630 1026648420 /nfs/dbraw/zinc/64/84/20/1026648420.db2.gz NFSUYXGTCQIRLK-GFCCVEGCSA-N 1 0 305.403 3.561 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000293730250 1026852879 /nfs/dbraw/zinc/85/28/79/1026852879.db2.gz ZFGSFSHERIMQPF-KRWDZBQOSA-N 1 0 318.348 3.983 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H](C4CCCC4)C3)nc2c1 ZINC000420959935 1026892693 /nfs/dbraw/zinc/89/26/93/1026892693.db2.gz FZQNHKZPBSXMGI-CYBMUJFWSA-N 1 0 315.373 3.748 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCOC1CCC1 ZINC000811482764 1027008879 /nfs/dbraw/zinc/00/88/79/1027008879.db2.gz RDHPQQJJPWHITB-UHFFFAOYSA-N 1 0 319.188 3.560 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000237258730 1027048973 /nfs/dbraw/zinc/04/89/73/1027048973.db2.gz DISXYKDORIJUQA-AWEZNQCLSA-N 1 0 314.385 3.714 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355754144 1027105288 /nfs/dbraw/zinc/10/52/88/1027105288.db2.gz ZODQNVVMCJWPQQ-WMLDXEAASA-N 1 0 304.390 3.548 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2ncco2)CC1 ZINC000931445790 1027125228 /nfs/dbraw/zinc/12/52/28/1027125228.db2.gz DPDYGNDWYYRAOQ-ZDUSSCGKSA-N 1 0 315.373 3.832 20 5 DHBDRO C[N@@H+]1CCC[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000228849177 1027127570 /nfs/dbraw/zinc/12/75/70/1027127570.db2.gz UWKHJWJUKFTHCL-VIFPVBQESA-N 1 0 318.204 3.655 20 5 DHBDRO Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000562237797 1027321798 /nfs/dbraw/zinc/32/17/98/1027321798.db2.gz IIZMLKCMNMFRQS-CYBMUJFWSA-N 1 0 316.405 3.592 20 5 DHBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812851054 1027449886 /nfs/dbraw/zinc/44/98/86/1027449886.db2.gz PSDQVJOMANTLGO-RDTXWAMCSA-N 1 0 314.385 3.539 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000575098367 1027452083 /nfs/dbraw/zinc/45/20/83/1027452083.db2.gz GJZLDRGAMNEGHY-HUUCEWRRSA-N 1 0 307.438 3.674 20 5 DHBDRO CC(C)CSCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000562498987 1027463816 /nfs/dbraw/zinc/46/38/16/1027463816.db2.gz RLSCTPWNLOKVOO-INIZCTEOSA-N 1 0 308.447 3.951 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCC(C)(F)F ZINC000295925673 1027492065 /nfs/dbraw/zinc/49/20/65/1027492065.db2.gz FIACFJPWSHFKPP-LBPRGKRZSA-N 1 0 300.349 3.941 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000423362782 1027520626 /nfs/dbraw/zinc/52/06/26/1027520626.db2.gz YEVLDOSUHFRWPW-KPZWWZAWSA-N 1 0 311.385 3.905 20 5 DHBDRO COc1ccc(C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000576554841 1027631420 /nfs/dbraw/zinc/63/14/20/1027631420.db2.gz XUPQOXOOVOLKHT-DOMZBBRYSA-N 1 0 304.390 3.685 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1Cl ZINC000798964806 1027666736 /nfs/dbraw/zinc/66/67/36/1027666736.db2.gz MZMWERRLFGKMKX-ZDUSSCGKSA-N 1 0 317.776 3.633 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)C1CC1 ZINC000577220847 1027728734 /nfs/dbraw/zinc/72/87/34/1027728734.db2.gz YXGULNNHYPVBEF-PMPSAXMXSA-N 1 0 306.381 3.786 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000601136110 1028000310 /nfs/dbraw/zinc/00/03/10/1028000310.db2.gz PCPYRHWLXYIEQP-MSOLQXFVSA-N 1 0 312.369 3.523 20 5 DHBDRO CCC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000601217176 1028029362 /nfs/dbraw/zinc/02/93/62/1028029362.db2.gz CEGORMFRBWAHRU-UHFFFAOYSA-N 1 0 309.435 3.501 20 5 DHBDRO C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000601304039 1028068047 /nfs/dbraw/zinc/06/80/47/1028068047.db2.gz JLEJRKUYNGBPGH-ZLIFDBKOSA-N 1 0 304.390 3.593 20 5 DHBDRO COc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563549160 1028106173 /nfs/dbraw/zinc/10/61/73/1028106173.db2.gz OZTGZQQFAXBXFB-IRXDYDNUSA-N 1 0 324.380 3.868 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000367918647 1028260263 /nfs/dbraw/zinc/26/02/63/1028260263.db2.gz RRWSLCYEGSZVPE-CYBMUJFWSA-N 1 0 314.389 3.567 20 5 DHBDRO C[C@@H]([NH2+]Cc1ccnn1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000449094483 1028368597 /nfs/dbraw/zinc/36/85/97/1028368597.db2.gz ZPNGXRCNMGTOLR-CYBMUJFWSA-N 1 0 314.389 3.757 20 5 DHBDRO COCC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000564420425 1028437987 /nfs/dbraw/zinc/43/79/87/1028437987.db2.gz UMGWBDPEEAJAPC-CLFYSBASSA-N 1 0 318.417 3.795 20 5 DHBDRO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000040445794 1028542242 /nfs/dbraw/zinc/54/22/42/1028542242.db2.gz SDPOENRCVBRHOC-JTQLQIEISA-N 1 0 305.403 3.827 20 5 DHBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000815576595 1028550877 /nfs/dbraw/zinc/55/08/77/1028550877.db2.gz UIWCAIPWEPXSLT-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815581683 1028553649 /nfs/dbraw/zinc/55/36/49/1028553649.db2.gz MONXKJDTHUHDOQ-RAIGVLPGSA-N 1 0 309.435 3.502 20 5 DHBDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815585603 1028555830 /nfs/dbraw/zinc/55/58/30/1028555830.db2.gz MOKNABLNUQLTSS-IACUBPJLSA-N 1 0 323.462 3.892 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000565219695 1028559827 /nfs/dbraw/zinc/55/98/27/1028559827.db2.gz YAELCHIUYXHBTG-MJEQTWJJSA-N 1 0 318.417 3.765 20 5 DHBDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618361 1028572673 /nfs/dbraw/zinc/57/26/73/1028572673.db2.gz JVRRICHIGYNNDV-SKDRFNHKSA-N 1 0 319.327 3.805 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000370681958 1028636508 /nfs/dbraw/zinc/63/65/08/1028636508.db2.gz LLYHPBKDPJWGCC-JFOHDYCDSA-N 1 0 318.417 3.757 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C/C=C\c3ccncc3)C2)cc1 ZINC000449496268 1028711131 /nfs/dbraw/zinc/71/11/31/1028711131.db2.gz GLONTQKYXYMCKX-PBMKKYJASA-N 1 0 323.396 3.883 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccncc3F)C2)cc1 ZINC000449499226 1028712292 /nfs/dbraw/zinc/71/22/92/1028712292.db2.gz LOVPWAIYFZUSDT-CQSZACIVSA-N 1 0 315.348 3.509 20 5 DHBDRO CN1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000449653959 1028889860 /nfs/dbraw/zinc/88/98/60/1028889860.db2.gz UICPEKGRIXPOQC-CQSZACIVSA-N 1 0 317.414 3.717 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CCCc2cccnc21 ZINC000372764471 1028897110 /nfs/dbraw/zinc/89/71/10/1028897110.db2.gz LASUJBVYNLJFFB-QGZVFWFLSA-N 1 0 311.385 3.808 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3C[C@@H]3C(F)F)o2)c1 ZINC000568438904 1029066273 /nfs/dbraw/zinc/06/62/73/1029066273.db2.gz PBIJSTWLKPPVLI-STQMWFEESA-N 1 0 308.284 3.598 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000569238586 1029200080 /nfs/dbraw/zinc/20/00/80/1029200080.db2.gz NORALJIERPLJBB-ZDUSSCGKSA-N 1 0 317.776 3.633 20 5 DHBDRO Cc1cnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000374229975 1029247745 /nfs/dbraw/zinc/24/77/45/1029247745.db2.gz NXRRCZOITKKCPE-AWEZNQCLSA-N 1 0 317.414 3.739 20 5 DHBDRO C[C@@H](CC1CCCCC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819266149 1029526895 /nfs/dbraw/zinc/52/68/95/1029526895.db2.gz FAZYKCOMEDMUNN-GUYCJALGSA-N 1 0 306.406 3.577 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000925229795 1029580323 /nfs/dbraw/zinc/58/03/23/1029580323.db2.gz IMYQHQLKDXTHTD-MLGOLLRUSA-N 1 0 315.373 3.800 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000530325353 1029818166 /nfs/dbraw/zinc/81/81/66/1029818166.db2.gz FBICTFCQMTZCMB-OBFMZJQYSA-N 1 0 304.390 3.544 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CCC(C)(C)C ZINC000530425056 1029842898 /nfs/dbraw/zinc/84/28/98/1029842898.db2.gz ZNRNXNZTPDWIPH-KGLIPLIRSA-N 1 0 308.422 3.741 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451336763 1029850540 /nfs/dbraw/zinc/85/05/40/1029850540.db2.gz FZOOQBUYNIAATA-RNJTYBCJSA-N 1 0 318.417 3.671 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451429036 1029868938 /nfs/dbraw/zinc/86/89/38/1029868938.db2.gz YRIDMKWKCPQNSC-NZPGVSJUSA-N 1 0 318.417 3.590 20 5 DHBDRO CCO[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000451542042 1029908017 /nfs/dbraw/zinc/90/80/17/1029908017.db2.gz MRHMNXWELSJVMV-JKIFEVAISA-N 1 0 306.406 3.711 20 5 DHBDRO C[C@@H]1c2ccccc2CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000530663119 1029949292 /nfs/dbraw/zinc/94/92/92/1029949292.db2.gz KGDWJUVSIHUDJO-CQSZACIVSA-N 1 0 312.369 3.593 20 5 DHBDRO CC(C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000865746421 1030001162 /nfs/dbraw/zinc/00/11/62/1030001162.db2.gz NBKMHOYJKHOBPQ-DZFYGRHCSA-N 1 0 304.390 3.545 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)c1 ZINC000865762468 1030011999 /nfs/dbraw/zinc/01/19/99/1030011999.db2.gz OQQFWGOBZHHWGB-WBMJQRKESA-N 1 0 324.808 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000451835693 1030023280 /nfs/dbraw/zinc/02/32/80/1030023280.db2.gz KGIWWXZBJPJSMJ-QGZVFWFLSA-N 1 0 312.369 3.958 20 5 DHBDRO CSc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000865787265 1030024745 /nfs/dbraw/zinc/02/47/45/1030024745.db2.gz JTOZQGIYDWXIGG-UHFFFAOYSA-N 1 0 308.428 3.976 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000865832617 1030045607 /nfs/dbraw/zinc/04/56/07/1030045607.db2.gz UBCVBTBPBFEBHX-CHWSQXEVSA-N 1 0 300.280 3.582 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCCCCO ZINC000290931460 1030252205 /nfs/dbraw/zinc/25/22/05/1030252205.db2.gz SCMAHINGCBIESD-UHFFFAOYSA-N 1 0 321.204 3.544 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC(F)(F)F ZINC000866376602 1030267756 /nfs/dbraw/zinc/26/77/56/1030267756.db2.gz XJHRLPFZHSNOMW-UWVGGRQHSA-N 1 0 322.302 3.843 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCS1 ZINC000866480024 1030316236 /nfs/dbraw/zinc/31/62/36/1030316236.db2.gz CRJQMNAFZVQTHP-BXUZGUMPSA-N 1 0 312.410 3.540 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000866612522 1030402561 /nfs/dbraw/zinc/40/25/61/1030402561.db2.gz KMOOODHYUZHYKP-IUODEOHRSA-N 1 0 302.378 3.520 20 5 DHBDRO CCC[C@H]([NH2+][C@@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000866612524 1030403469 /nfs/dbraw/zinc/40/34/69/1030403469.db2.gz KMOOODHYUZHYKP-WFASDCNBSA-N 1 0 302.378 3.520 20 5 DHBDRO C[C@@H]([NH2+]CCSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358308975 1030431417 /nfs/dbraw/zinc/43/14/17/1030431417.db2.gz SXFOJEFPSWHXRN-SECBINFHSA-N 1 0 308.325 3.541 20 5 DHBDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000558418738 1030568620 /nfs/dbraw/zinc/56/86/20/1030568620.db2.gz ZTZXUEMVKXHNFN-LBPRGKRZSA-N 1 0 320.414 3.790 20 5 DHBDRO Cc1c(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000358824926 1030637938 /nfs/dbraw/zinc/63/79/38/1030637938.db2.gz NXZZQYULPRKJTD-FZKQIMNGSA-N 1 0 311.385 3.881 20 5 DHBDRO C[C@@]1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000824968085 1030687867 /nfs/dbraw/zinc/68/78/67/1030687867.db2.gz AEGQVKSZXSXSQA-SNVBAGLBSA-N 1 0 309.218 3.720 20 5 DHBDRO C[C@H]1Cc2cc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])ccc2O1 ZINC000926917933 1030992369 /nfs/dbraw/zinc/99/23/69/1030992369.db2.gz FCBMOPMSUCGXCV-SJCJKPOMSA-N 1 0 324.380 3.695 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926919604 1030994117 /nfs/dbraw/zinc/99/41/17/1030994117.db2.gz PMRAFYYHBQAQFL-IAOVAPTHSA-N 1 0 304.390 3.513 20 5 DHBDRO COc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000121949999 1031006031 /nfs/dbraw/zinc/00/60/31/1031006031.db2.gz GEEKDSPKCJTXGH-SJKOYZFVSA-N 1 0 312.369 3.942 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)c1cccc([N+](=O)[O-])c1 ZINC000926941047 1031007364 /nfs/dbraw/zinc/00/73/64/1031007364.db2.gz BMMPSOGTZFWSTQ-MVJTYMMSSA-N 1 0 316.401 3.617 20 5 DHBDRO CC1(C)CC[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000359899129 1031186510 /nfs/dbraw/zinc/18/65/10/1031186510.db2.gz LJUJZVKIWCSMJS-INIZCTEOSA-N 1 0 304.390 3.517 20 5 DHBDRO CC1(C)CC[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000359899130 1031186652 /nfs/dbraw/zinc/18/66/52/1031186652.db2.gz LJUJZVKIWCSMJS-MRXNPFEDSA-N 1 0 304.390 3.517 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOC(C)C ZINC000872019519 1031403328 /nfs/dbraw/zinc/40/33/28/1031403328.db2.gz ZEXDVNDHLSXMAK-LBPRGKRZSA-N 1 0 312.435 3.782 20 5 DHBDRO CC(C)C[NH+]1CCC(N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872021996 1031405551 /nfs/dbraw/zinc/40/55/51/1031405551.db2.gz VBWFMIPGIIYWPU-ZDUSSCGKSA-N 1 0 323.412 3.505 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000872027826 1031412191 /nfs/dbraw/zinc/41/21/91/1031412191.db2.gz MHCRYLNPBKGVKA-YPMHNXCESA-N 1 0 310.419 3.536 20 5 DHBDRO CCc1nc(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000872030188 1031414568 /nfs/dbraw/zinc/41/45/68/1031414568.db2.gz APSVKIVORXWBGX-SNVBAGLBSA-N 1 0 323.393 3.646 20 5 DHBDRO CSC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040511 1031424861 /nfs/dbraw/zinc/42/48/61/1031424861.db2.gz ZPOFDUNBUZRQBQ-UWVGGRQHSA-N 1 0 300.449 3.719 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccncc1 ZINC000872041057 1031425933 /nfs/dbraw/zinc/42/59/33/1031425933.db2.gz PGSAFVYANADFJW-RYUDHWBXSA-N 1 0 303.337 3.583 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000872041631 1031426481 /nfs/dbraw/zinc/42/64/81/1031426481.db2.gz VJTPJJVWKOMFPQ-RISCZKNCSA-N 1 0 310.369 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccncc1 ZINC000872042705 1031427931 /nfs/dbraw/zinc/42/79/31/1031427931.db2.gz DGJALKFJBSEFFF-LBPRGKRZSA-N 1 0 317.414 3.605 20 5 DHBDRO Cc1ccc(OCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000536859921 1031460500 /nfs/dbraw/zinc/46/05/00/1031460500.db2.gz VEWQOGLXCGABQE-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC(F)(F)F ZINC000872065176 1031461012 /nfs/dbraw/zinc/46/10/12/1031461012.db2.gz VCSHBCVKUKJLCQ-QMMMGPOBSA-N 1 0 324.324 3.504 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000872064699 1031461134 /nfs/dbraw/zinc/46/11/34/1031461134.db2.gz KAEAUPKXILSMSW-YWPYICTPSA-N 1 0 324.446 3.518 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000872071243 1031467830 /nfs/dbraw/zinc/46/78/30/1031467830.db2.gz LXPXCYMBPVIKQZ-NRUUGDAUSA-N 1 0 312.460 3.719 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCCCO ZINC000872076320 1031471514 /nfs/dbraw/zinc/47/15/14/1031471514.db2.gz ZHEPMEJACQYBBQ-NEPJUHHUSA-N 1 0 312.435 3.518 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872075225 1031472122 /nfs/dbraw/zinc/47/21/22/1031472122.db2.gz AQAABASSJPOXFJ-NXEZZACHSA-N 1 0 302.296 3.820 20 5 DHBDRO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872076883 1031473627 /nfs/dbraw/zinc/47/36/27/1031473627.db2.gz UTWYALJNLWPLGC-ZENOOKHLSA-N 1 0 324.396 3.836 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000872077320 1031474844 /nfs/dbraw/zinc/47/48/44/1031474844.db2.gz FUIOLLGDKGEGRH-NTZNESFSSA-N 1 0 310.419 3.535 20 5 DHBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CCO1 ZINC000872080798 1031476441 /nfs/dbraw/zinc/47/64/41/1031476441.db2.gz SHNYOVUZQCCVKZ-SGMGOOAPSA-N 1 0 324.446 3.925 20 5 DHBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872080064 1031476625 /nfs/dbraw/zinc/47/66/25/1031476625.db2.gz SKIGOEITZGFNSC-UVWXRNBGSA-N 1 0 310.369 3.588 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000872079977 1031477081 /nfs/dbraw/zinc/47/70/81/1031477081.db2.gz RBWQUDXIWQGRCI-BDAKNGLRSA-N 1 0 308.275 3.973 20 5 DHBDRO CSCC1(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872086223 1031480698 /nfs/dbraw/zinc/48/06/98/1031480698.db2.gz VLVDEGSMEPQXRQ-NSHDSACASA-N 1 0 312.410 3.918 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000872087269 1031483386 /nfs/dbraw/zinc/48/33/86/1031483386.db2.gz HUVIOMNXLKEVOY-OLZOCXBDSA-N 1 0 324.446 3.784 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872091165 1031488652 /nfs/dbraw/zinc/48/86/52/1031488652.db2.gz GATNDSUQMPMFDP-OLZOCXBDSA-N 1 0 322.380 3.591 20 5 DHBDRO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093204 1031490772 /nfs/dbraw/zinc/49/07/72/1031490772.db2.gz HGWVBGYHZAIGDJ-DOMZBBRYSA-N 1 0 322.380 3.876 20 5 DHBDRO CCC(CC)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccs1 ZINC000537077206 1031500001 /nfs/dbraw/zinc/50/00/01/1031500001.db2.gz HZHDJPKCGCQDNL-HNNXBMFYSA-N 1 0 322.434 3.620 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000872129839 1031520048 /nfs/dbraw/zinc/52/00/48/1031520048.db2.gz YIDOLKMFKARWMD-DWZYQQQCSA-N 1 0 324.471 3.625 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000872129826 1031520439 /nfs/dbraw/zinc/52/04/39/1031520439.db2.gz WPUAYWSJTKLDDS-IOASZLSFSA-N 1 0 306.406 3.839 20 5 DHBDRO COCC1(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000293573946 1031521569 /nfs/dbraw/zinc/52/15/69/1031521569.db2.gz BNJIQPOVWKNAJE-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000872135498 1031530627 /nfs/dbraw/zinc/53/06/27/1031530627.db2.gz HVGNJQVVGSHDOR-DOPJRALCSA-N 1 0 314.385 3.758 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2(OC)CCC2)cc1[N+](=O)[O-] ZINC000293647396 1031554491 /nfs/dbraw/zinc/55/44/91/1031554491.db2.gz HOWCVAWTSLIBRK-CYBMUJFWSA-N 1 0 322.405 3.603 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872278252 1031572981 /nfs/dbraw/zinc/57/29/81/1031572981.db2.gz KWVWYPRORRVQTL-SFHVURJKSA-N 1 0 318.417 3.561 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000360975621 1031654917 /nfs/dbraw/zinc/65/49/17/1031654917.db2.gz VFOMEUMNMMWDGA-AWEZNQCLSA-N 1 0 321.421 3.527 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC1 ZINC000930061289 1031688757 /nfs/dbraw/zinc/68/87/57/1031688757.db2.gz QKKOSOSYGCKULN-SHHSBJBSSA-N 1 0 322.355 3.851 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc([C@H](C)O)cc1 ZINC000873020750 1031694565 /nfs/dbraw/zinc/69/45/65/1031694565.db2.gz CESYULXGPJYBTC-AWEZNQCLSA-N 1 0 314.385 3.555 20 5 DHBDRO CCN(C)c1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873048340 1031698066 /nfs/dbraw/zinc/69/80/66/1031698066.db2.gz XMYXCBZJHPXDKN-UHFFFAOYSA-N 1 0 313.401 3.649 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)C[C@@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000873097355 1031708934 /nfs/dbraw/zinc/70/89/34/1031708934.db2.gz OOJHEZOCSYRBRF-IAQYHMDHSA-N 1 0 320.414 3.567 20 5 DHBDRO COc1cc(C)cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000873096265 1031710528 /nfs/dbraw/zinc/71/05/28/1031710528.db2.gz MMYWIQPMGJNIPQ-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCc2cccnc2)C2CC2)cc1 ZINC000930141342 1031712719 /nfs/dbraw/zinc/71/27/19/1031712719.db2.gz YQCAZJNBLXHBLV-UHFFFAOYSA-N 1 0 311.385 3.587 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCOc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC000873111706 1031713048 /nfs/dbraw/zinc/71/30/48/1031713048.db2.gz GCHNMWLFRINQCZ-HNNXBMFYSA-N 1 0 316.332 3.656 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873104809 1031713428 /nfs/dbraw/zinc/71/34/28/1031713428.db2.gz QAQIHXYYTUYLIU-NSHDSACASA-N 1 0 319.430 3.870 20 5 DHBDRO COc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000873140229 1031725260 /nfs/dbraw/zinc/72/52/60/1031725260.db2.gz MCEABSSKFMBCLE-UHFFFAOYSA-N 1 0 300.358 3.510 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873155924 1031731047 /nfs/dbraw/zinc/73/10/47/1031731047.db2.gz IJNMWQFMMARDMN-HVCPWWMTSA-N 1 0 316.401 3.545 20 5 DHBDRO C[C@H](NCc1coc(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000930208949 1031735489 /nfs/dbraw/zinc/73/54/89/1031735489.db2.gz YEDBLJCMDFTSOO-NSHDSACASA-N 1 0 303.362 3.731 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000897746732 1031828846 /nfs/dbraw/zinc/82/88/46/1031828846.db2.gz UYHZRGLDKLNDDB-AGUYFDCRSA-N 1 0 306.431 3.728 20 5 DHBDRO Cc1ccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000846039101 1031832979 /nfs/dbraw/zinc/83/29/79/1031832979.db2.gz UAXCGTOIUACTGS-KGLIPLIRSA-N 1 0 300.761 3.698 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000897781218 1031834056 /nfs/dbraw/zinc/83/40/56/1031834056.db2.gz SLDJZTSMUZUXOQ-UQHVZDHRSA-N 1 0 318.417 3.765 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)cc1Cl ZINC000846042037 1031838492 /nfs/dbraw/zinc/83/84/92/1031838492.db2.gz GFYGPXGPCUFLQI-MRXNPFEDSA-N 1 0 324.808 3.543 20 5 DHBDRO OC1CC2(C[C@H]2[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000897852067 1031857430 /nfs/dbraw/zinc/85/74/30/1031857430.db2.gz IQXGRAZJUFVHRL-ZWVUXNTGSA-N 1 0 303.405 3.996 20 5 DHBDRO CC1(C)CC2(CC([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CO1 ZINC000897973283 1031888470 /nfs/dbraw/zinc/88/84/70/1031888470.db2.gz PWKYTXLIKOGPGJ-UHFFFAOYSA-N 1 0 324.808 3.686 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1cccnc1 ZINC000897966778 1031900799 /nfs/dbraw/zinc/90/07/99/1031900799.db2.gz GTCHVRTZBSAJCC-HUUCEWRRSA-N 1 0 313.401 3.532 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3ccncc3)cc2)cc1 ZINC000361504246 1031959134 /nfs/dbraw/zinc/95/91/34/1031959134.db2.gz OQJPKLMMPAVIOO-UHFFFAOYSA-N 1 0 319.364 3.947 20 5 DHBDRO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC000361641558 1032032071 /nfs/dbraw/zinc/03/20/71/1032032071.db2.gz CKEKVIRUEXFJLQ-XJKSGUPXSA-N 1 0 306.406 3.540 20 5 DHBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957506 1032043808 /nfs/dbraw/zinc/04/38/08/1032043808.db2.gz RITQDLCOJHQUAV-CZUORRHYSA-N 1 0 314.389 3.536 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000136705424 1033312922 /nfs/dbraw/zinc/31/29/22/1033312922.db2.gz TTWPZLZMWDLQNX-ZDUSSCGKSA-N 1 0 324.808 3.830 20 5 DHBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000136813676 1033314968 /nfs/dbraw/zinc/31/49/68/1033314968.db2.gz GYHBSXKKIMTWED-ZBEGNZNMSA-N 1 0 320.776 3.632 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000877522519 1033334283 /nfs/dbraw/zinc/33/42/83/1033334283.db2.gz BHTHHBQWJJOELY-SFHVURJKSA-N 1 0 311.385 3.944 20 5 DHBDRO Cc1c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000877590566 1033372412 /nfs/dbraw/zinc/37/24/12/1033372412.db2.gz AZHAKWTVWROGNW-KRWDZBQOSA-N 1 0 318.417 3.540 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)O1 ZINC000877681272 1033409548 /nfs/dbraw/zinc/40/95/48/1033409548.db2.gz FVLFXVPPGGUZQL-DNSOKLHBSA-N 1 0 319.188 3.557 20 5 DHBDRO Cc1ccccc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899145 1033435232 /nfs/dbraw/zinc/43/52/32/1033435232.db2.gz UOVXCXVASDUJPW-GOSISDBHSA-N 1 0 310.397 3.940 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cscn1 ZINC001172898753 1033435500 /nfs/dbraw/zinc/43/55/00/1033435500.db2.gz IYSKYKSWQQPUHK-SMDDNHRTSA-N 1 0 317.414 3.650 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(F)c1)CC2 ZINC001172899449 1033435583 /nfs/dbraw/zinc/43/55/83/1033435583.db2.gz YHSGPFRODBCCTO-QGZVFWFLSA-N 1 0 314.360 3.771 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCc3cccnc31)CC2 ZINC001172901435 1033435892 /nfs/dbraw/zinc/43/58/92/1033435892.db2.gz NDWOPBXNWLOBJU-AEFFLSMTSA-N 1 0 323.396 3.514 20 5 DHBDRO CCC1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903242 1033436767 /nfs/dbraw/zinc/43/67/67/1033436767.db2.gz FWRYEVLBBSVCJE-KRWDZBQOSA-N 1 0 302.418 3.964 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1nccs1 ZINC001172902069 1033437655 /nfs/dbraw/zinc/43/76/55/1033437655.db2.gz UTYHRAKCWRAWGQ-BXUZGUMPSA-N 1 0 317.414 3.650 20 5 DHBDRO CC1(C)CC(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172902593 1033437855 /nfs/dbraw/zinc/43/78/55/1033437855.db2.gz FILBBSMMAXHAAQ-INIZCTEOSA-N 1 0 302.418 3.868 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccoc1 ZINC001172904268 1033438264 /nfs/dbraw/zinc/43/82/64/1033438264.db2.gz WCDKHPZUDVKURA-LRDDRELGSA-N 1 0 300.358 3.786 20 5 DHBDRO C[N@H+](C1CC(F)(F)C1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907664 1033440121 /nfs/dbraw/zinc/44/01/21/1033440121.db2.gz HIZXUWQLXHXLPD-CYBMUJFWSA-N 1 0 310.344 3.572 20 5 DHBDRO CC1(F)CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172907119 1033440941 /nfs/dbraw/zinc/44/09/41/1033440941.db2.gz DFFFONQEZOIADX-HNNXBMFYSA-N 1 0 306.381 3.666 20 5 DHBDRO CC[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172919319 1033466118 /nfs/dbraw/zinc/46/61/18/1033466118.db2.gz FVNDVBMDCYMMAN-WMLDXEAASA-N 1 0 302.418 3.964 20 5 DHBDRO C[C@H]1CCCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909562 1033482934 /nfs/dbraw/zinc/48/29/34/1033482934.db2.gz SMKHLVPICAIIGW-WMLDXEAASA-N 1 0 302.418 3.964 20 5 DHBDRO Cc1occc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911897 1033484997 /nfs/dbraw/zinc/48/49/97/1033484997.db2.gz KVKZZFFJEMKOHC-MRXNPFEDSA-N 1 0 300.358 3.533 20 5 DHBDRO CCC1CC[NH+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173181354 1033581487 /nfs/dbraw/zinc/58/14/87/1033581487.db2.gz OYHPKSWDYLOTSD-LBPRGKRZSA-N 1 0 324.396 3.796 20 5 DHBDRO CCC[N@H+](CC1CC1)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173187336 1033583838 /nfs/dbraw/zinc/58/38/38/1033583838.db2.gz ZJTZZCSRNVZANB-LBPRGKRZSA-N 1 0 324.396 3.796 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CC23CCCC3)c1F ZINC001173184278 1033585124 /nfs/dbraw/zinc/58/51/24/1033585124.db2.gz PKQHVAWKYYNINB-XHDPSFHLSA-N 1 0 322.380 3.596 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CC2CCCC2)c1F ZINC001173195934 1033586862 /nfs/dbraw/zinc/58/68/62/1033586862.db2.gz KDHSCSSIUBPEMY-LBPRGKRZSA-N 1 0 324.396 3.796 20 5 DHBDRO CC[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173195132 1033587858 /nfs/dbraw/zinc/58/78/58/1033587858.db2.gz CCZFYWMDPYDZFG-QWHCGFSZSA-N 1 0 324.396 3.938 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCCC23CC3)c1F ZINC001173197317 1033590466 /nfs/dbraw/zinc/59/04/66/1033590466.db2.gz SPKFNGAYWWKZQA-GFCCVEGCSA-N 1 0 322.380 3.692 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C[C@@H]2CC2(C)C)c1F ZINC001173198381 1033590646 /nfs/dbraw/zinc/59/06/46/1033590646.db2.gz ZBTPQLBXHSNWLI-NEPJUHHUSA-N 1 0 324.396 3.651 20 5 DHBDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001173224295 1033602473 /nfs/dbraw/zinc/60/24/73/1033602473.db2.gz DGXPCCMLMASIOJ-RDTXWAMCSA-N 1 0 313.401 3.908 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2c1cccc2O ZINC001173225415 1033603457 /nfs/dbraw/zinc/60/34/57/1033603457.db2.gz JVIWVZHHFIYQNT-YVEFUNNKSA-N 1 0 312.369 3.509 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001173227575 1033606471 /nfs/dbraw/zinc/60/64/71/1033606471.db2.gz QXLYWFYMOKJRTA-RDTXWAMCSA-N 1 0 311.385 3.758 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC001173232632 1033608054 /nfs/dbraw/zinc/60/80/54/1033608054.db2.gz SBBKIPKWXXADAJ-CYBMUJFWSA-N 1 0 314.360 3.723 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccccc1F ZINC001173232663 1033608330 /nfs/dbraw/zinc/60/83/30/1033608330.db2.gz SEKRMFMHRYHEOM-AWEZNQCLSA-N 1 0 316.376 3.839 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc2ccccc12 ZINC001173209514 1033610621 /nfs/dbraw/zinc/61/06/21/1033610621.db2.gz CKZDYNPPKRIDFZ-CQSZACIVSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2cc(C[NH3+])ccc21 ZINC001173211203 1033614120 /nfs/dbraw/zinc/61/41/20/1033614120.db2.gz RDLNLJCETIKTSI-CYBMUJFWSA-N 1 0 309.369 3.812 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1ccccc1[N+](=O)[O-] ZINC000878374916 1033681069 /nfs/dbraw/zinc/68/10/69/1033681069.db2.gz ZKDBVRBOKHWZND-OLZOCXBDSA-N 1 0 306.406 3.839 20 5 DHBDRO C[N@H+]1CC=C(CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553516874 1033721613 /nfs/dbraw/zinc/72/16/13/1033721613.db2.gz UBTMQRDAQIDMDL-UHFFFAOYSA-N 1 0 316.188 3.575 20 5 DHBDRO COc1cccc(C2=CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000479563815 1033818577 /nfs/dbraw/zinc/81/85/77/1033818577.db2.gz BSPFMXLXQVHTFK-UHFFFAOYSA-N 1 0 324.380 3.893 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000479863693 1033938483 /nfs/dbraw/zinc/93/84/83/1033938483.db2.gz MMXZVSLGIYBOHP-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO Cc1c([C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000479885824 1033947134 /nfs/dbraw/zinc/94/71/34/1033947134.db2.gz PGTGYGCEPNOWRC-HOCLYGCPSA-N 1 0 319.449 3.818 20 5 DHBDRO CCC(=O)c1ccc(NC[C@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000479914553 1033957157 /nfs/dbraw/zinc/95/71/57/1033957157.db2.gz TZCCOMVEMHFEDZ-AWEZNQCLSA-N 1 0 321.421 3.576 20 5 DHBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccoc1 ZINC001173935915 1033998200 /nfs/dbraw/zinc/99/82/00/1033998200.db2.gz DMJDQKBHFUROQY-UHFFFAOYSA-N 1 0 319.364 3.837 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000480211557 1034135289 /nfs/dbraw/zinc/13/52/89/1034135289.db2.gz XQTCQNBAIFKXCV-JTQLQIEISA-N 1 0 320.311 3.814 20 5 DHBDRO Cc1csc([C@@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000880010433 1034183035 /nfs/dbraw/zinc/18/30/35/1034183035.db2.gz UEKLCQWLWFWZRN-TZMCWYRMSA-N 1 0 317.414 3.910 20 5 DHBDRO C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000177879939 1034190756 /nfs/dbraw/zinc/19/07/56/1034190756.db2.gz DOTXXPSPLSLDJE-CHWSQXEVSA-N 1 0 315.373 3.523 20 5 DHBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000177879951 1034192289 /nfs/dbraw/zinc/19/22/89/1034192289.db2.gz DOTXXPSPLSLDJE-QWHCGFSZSA-N 1 0 315.373 3.523 20 5 DHBDRO CCOc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178648795 1034255807 /nfs/dbraw/zinc/25/58/07/1034255807.db2.gz XZCTVAZFZGEWND-ZDUSSCGKSA-N 1 0 300.358 3.844 20 5 DHBDRO Cc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)c1C ZINC000794642055 1034312529 /nfs/dbraw/zinc/31/25/29/1034312529.db2.gz PKSSZNCPFKCHGC-UHFFFAOYSA-N 1 0 302.349 3.983 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000880470867 1034341392 /nfs/dbraw/zinc/34/13/92/1034341392.db2.gz QLSYUIAVDHZVDM-TZMCWYRMSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000880470864 1034341895 /nfs/dbraw/zinc/34/18/95/1034341895.db2.gz QLSYUIAVDHZVDM-GXTWGEPZSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794687593 1034365436 /nfs/dbraw/zinc/36/54/36/1034365436.db2.gz VZTHXDQNHYPLFD-CQSZACIVSA-N 1 0 316.405 3.721 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cs1 ZINC000880575261 1034368323 /nfs/dbraw/zinc/36/83/23/1034368323.db2.gz WSPSSMINKSZTOI-OAHLLOKOSA-N 1 0 324.446 3.685 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000480667071 1034378928 /nfs/dbraw/zinc/37/89/28/1034378928.db2.gz QVDVADOSLSCJNQ-VHSXEESVSA-N 1 0 320.311 3.843 20 5 DHBDRO C[C@H](C[NH+]1CCCCCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000480699958 1034412483 /nfs/dbraw/zinc/41/24/83/1034412483.db2.gz QEMKHQOXWYIYNX-CABCVRRESA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000554933804 1034421018 /nfs/dbraw/zinc/42/10/18/1034421018.db2.gz PDYLQDGTGREPJQ-QDMKHBRRSA-N 1 0 306.406 3.587 20 5 DHBDRO C[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)C1 ZINC000481190709 1034649587 /nfs/dbraw/zinc/64/95/87/1034649587.db2.gz LRCJBHJQBIQHPR-MDZLAQPJSA-N 1 0 303.362 3.650 20 5 DHBDRO CCSc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000187794949 1034732961 /nfs/dbraw/zinc/73/29/61/1034732961.db2.gz JBCAACDHZWWJJX-LBPRGKRZSA-N 1 0 317.414 3.953 20 5 DHBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC000600137199 1034762440 /nfs/dbraw/zinc/76/24/40/1034762440.db2.gz KCXDIHQCKWEGSX-LBPRGKRZSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000481768362 1034969390 /nfs/dbraw/zinc/96/93/90/1034969390.db2.gz MNZHOGHAZULYKR-BXUZGUMPSA-N 1 0 316.323 3.800 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000481976588 1035038927 /nfs/dbraw/zinc/03/89/27/1035038927.db2.gz ZYVGDHXZXASOHM-GDBMZVCRSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000481976072 1035040218 /nfs/dbraw/zinc/04/02/18/1035040218.db2.gz XROYFRFTWWSINV-HZPDHXFCSA-N 1 0 319.449 3.674 20 5 DHBDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159418233 1035051831 /nfs/dbraw/zinc/05/18/31/1035051831.db2.gz FFTZEXLGWALWSG-JTQLQIEISA-N 1 0 315.211 3.834 20 5 DHBDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159418102 1035051901 /nfs/dbraw/zinc/05/19/01/1035051901.db2.gz FFTZEXLGWALWSG-SNVBAGLBSA-N 1 0 315.211 3.834 20 5 DHBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000567893182 1035065048 /nfs/dbraw/zinc/06/50/48/1035065048.db2.gz IVWVWAUAJFLOQB-VIFPVBQESA-N 1 0 313.195 3.588 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001175688272 1035084985 /nfs/dbraw/zinc/08/49/85/1035084985.db2.gz OJAFLUPMFKTPJQ-INIZCTEOSA-N 1 0 318.417 3.624 20 5 DHBDRO O=[N+]([O-])/C=C/c1ccc(Nc2c[nH+]ccc2N2CCCC2)cc1 ZINC001175903047 1035157521 /nfs/dbraw/zinc/15/75/21/1035157521.db2.gz XZDFQMSIZZOKGS-XYOKQWHBSA-N 1 0 310.357 3.673 20 5 DHBDRO C[C@@H](OCCC[N+](C)(C)C)c1c(F)cccc1Br ZINC001224621242 1035180705 /nfs/dbraw/zinc/18/07/05/1035180705.db2.gz PJWAPERMYDQWTF-LLVKDONJSA-N 1 0 319.238 3.762 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001176029887 1035187817 /nfs/dbraw/zinc/18/78/17/1035187817.db2.gz WSFLJIKGKVNYRQ-ZTFRIQLXSA-N 1 0 300.333 3.941 20 5 DHBDRO CCCC(O)(CCC)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000483294845 1035254982 /nfs/dbraw/zinc/25/49/82/1035254982.db2.gz KKLVAQUOAMFAET-CQSZACIVSA-N 1 0 308.422 3.885 20 5 DHBDRO CC1(C)SC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811503475 1035332451 /nfs/dbraw/zinc/33/24/51/1035332451.db2.gz OAJOLTPITFFGQN-JTQLQIEISA-N 1 0 321.229 3.885 20 5 DHBDRO COc1cc(C[NH2+]C2(C3CCCCC3)CC2)c([N+](=O)[O-])cc1F ZINC001176841560 1035332878 /nfs/dbraw/zinc/33/28/78/1035332878.db2.gz AGKCUBFPBJKMLD-UHFFFAOYSA-N 1 0 322.380 3.945 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cc(F)cc(F)c1 ZINC001177611793 1035384227 /nfs/dbraw/zinc/38/42/27/1035384227.db2.gz JMJJHJYWPBZYOP-UHFFFAOYSA-N 1 0 320.339 3.822 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001177741853 1035390677 /nfs/dbraw/zinc/39/06/77/1035390677.db2.gz DMDHZAKKUWBXLJ-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO COc1ccc(C[NH2+]CCc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC001178003602 1035403756 /nfs/dbraw/zinc/40/37/56/1035403756.db2.gz RRHRRIJAPQCNKR-UHFFFAOYSA-N 1 0 314.385 3.553 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000924798330 1035410333 /nfs/dbraw/zinc/41/03/33/1035410333.db2.gz MJZCLLDGAQDOMV-VXGBXAGGSA-N 1 0 314.341 3.735 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC000924799744 1035435408 /nfs/dbraw/zinc/43/54/08/1035435408.db2.gz UGYYBSWXQCKBCJ-STQMWFEESA-N 1 0 314.389 3.928 20 5 DHBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001193079962 1035552928 /nfs/dbraw/zinc/55/29/28/1035552928.db2.gz AJAAYIVLKGCWOM-PBHICJAKSA-N 1 0 306.406 3.922 20 5 DHBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC001180091458 1035576434 /nfs/dbraw/zinc/57/64/34/1035576434.db2.gz BLWLTARTDVJSEJ-CQSZACIVSA-N 1 0 322.405 3.710 20 5 DHBDRO C[C@@](CO)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000152761649 1035690764 /nfs/dbraw/zinc/69/07/64/1035690764.db2.gz LSDCAOMOYBJKSE-KOEDOTQGSA-N 1 0 318.417 3.529 20 5 DHBDRO C[C@H]1CCCC[C@H]1OCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001193743595 1035714545 /nfs/dbraw/zinc/71/45/45/1035714545.db2.gz QTJMDDUZPJXWLK-MAUKXSAKSA-N 1 0 320.433 3.664 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CCC3CCCCCC3)nc2c1 ZINC001181266052 1035878430 /nfs/dbraw/zinc/87/84/30/1035878430.db2.gz HMPRCYHTQZPTEA-UHFFFAOYSA-N 1 0 316.405 3.921 20 5 DHBDRO C[N@@H+](C/C=C\c1cccc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC001181697938 1035975188 /nfs/dbraw/zinc/97/51/88/1035975188.db2.gz PKUGHBKKISDCDV-ALCCZGGFSA-N 1 0 314.360 3.922 20 5 DHBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC001195010977 1036106205 /nfs/dbraw/zinc/10/62/05/1036106205.db2.gz BJAAIMRSMWQSCU-LBPRGKRZSA-N 1 0 320.339 3.936 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001195214423 1036182207 /nfs/dbraw/zinc/18/22/07/1036182207.db2.gz VCRRKXDHEMPJQP-ZDUSSCGKSA-N 1 0 306.406 3.862 20 5 DHBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000774193734 1036218164 /nfs/dbraw/zinc/21/81/64/1036218164.db2.gz VLEOHNVGXNFVAX-HZSPNIEDSA-N 1 0 308.426 3.547 20 5 DHBDRO CC(C)[N@H+](C/C=C\c1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000495079483 1036229760 /nfs/dbraw/zinc/22/97/60/1036229760.db2.gz NWWDXXKYTQIOKP-ARJAWSKDSA-N 1 0 311.385 3.914 20 5 DHBDRO CCCC[NH+](CCCC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000914785909 1036336850 /nfs/dbraw/zinc/33/68/50/1036336850.db2.gz YBTUATQECOAFSF-UHFFFAOYSA-N 1 0 304.394 3.804 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000541555884 1036362658 /nfs/dbraw/zinc/36/26/58/1036362658.db2.gz PBOFLGCHLWRZFC-SNVBAGLBSA-N 1 0 304.724 3.916 20 5 DHBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001196124641 1036458859 /nfs/dbraw/zinc/45/88/59/1036458859.db2.gz NRXGUJRBPHNGNO-CVEARBPZSA-N 1 0 318.417 3.811 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCCCO1)CCC2 ZINC000193276002 1036460403 /nfs/dbraw/zinc/46/04/03/1036460403.db2.gz ZRHVRDYBXDNBPH-DOTOQJQBSA-N 1 0 304.390 3.521 20 5 DHBDRO CCC(C)(C)CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001183270065 1036561545 /nfs/dbraw/zinc/56/15/45/1036561545.db2.gz QCSBILNXFGYGEK-CYBMUJFWSA-N 1 0 321.421 3.728 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000495370073 1036573344 /nfs/dbraw/zinc/57/33/44/1036573344.db2.gz ZVJISRZWQXLCGE-SWLSCSKDSA-N 1 0 306.406 3.900 20 5 DHBDRO COCC(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000491471934 1036584211 /nfs/dbraw/zinc/58/42/11/1036584211.db2.gz PTMAQMDUBCZVRC-UHFFFAOYSA-N 1 0 318.373 3.617 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCSC2)cc(C(F)(F)F)c1 ZINC000487202309 1036584895 /nfs/dbraw/zinc/58/48/95/1036584895.db2.gz TZYJIJNRYSJKJV-LLVKDONJSA-N 1 0 320.336 3.599 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCSCC3)CC2)c(F)c1 ZINC001196685612 1036596239 /nfs/dbraw/zinc/59/62/39/1036596239.db2.gz ZGLIEKWQCXXQNT-UHFFFAOYSA-N 1 0 324.421 3.843 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)cccc1[N+](=O)[O-] ZINC000271895555 1036626300 /nfs/dbraw/zinc/62/63/00/1036626300.db2.gz UBQWMUBQQRCTLA-HIFRSBDPSA-N 1 0 320.433 3.743 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC2([C@@H](C)CCO)CCC2)cccc1[N+](=O)[O-] ZINC000271895560 1036626545 /nfs/dbraw/zinc/62/65/45/1036626545.db2.gz UBQWMUBQQRCTLA-ZFWWWQNUSA-N 1 0 320.433 3.743 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000495421606 1036631509 /nfs/dbraw/zinc/63/15/09/1036631509.db2.gz STSKZBGWKJQAQJ-SWLSCSKDSA-N 1 0 306.406 3.900 20 5 DHBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001183779476 1036666673 /nfs/dbraw/zinc/66/66/73/1036666673.db2.gz NITMPUDKPHPKAQ-WQVCFCJDSA-N 1 0 304.390 3.593 20 5 DHBDRO CC[C@@H](c1ccc(F)cc1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000495470887 1036667848 /nfs/dbraw/zinc/66/78/48/1036667848.db2.gz REPKIHJXCXNLSH-KRWDZBQOSA-N 1 0 315.348 3.638 20 5 DHBDRO CC[C@H](C[N@H+](CC)Cn1cc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000774701470 1036714384 /nfs/dbraw/zinc/71/43/84/1036714384.db2.gz JDQRCXSVRABTNR-OAHLLOKOSA-N 1 0 316.405 3.573 20 5 DHBDRO Cc1ccc(C[NH2+]CCCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000915225519 1036718984 /nfs/dbraw/zinc/71/89/84/1036718984.db2.gz QUVILSYCFSOWLB-UHFFFAOYSA-N 1 0 314.385 3.852 20 5 DHBDRO C[C@H]1c2sccc2CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC001197431166 1036776171 /nfs/dbraw/zinc/77/61/71/1036776171.db2.gz CRYYTVIGMUHISA-JTQLQIEISA-N 1 0 306.362 3.915 20 5 DHBDRO CS[C@@H]1CCCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492209498 1036785259 /nfs/dbraw/zinc/78/52/59/1036785259.db2.gz LOOSPPXOHLRIIE-LLVKDONJSA-N 1 0 314.838 3.966 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC001184337396 1036819108 /nfs/dbraw/zinc/81/91/08/1036819108.db2.gz GENLGQVWWZWVQY-CVEARBPZSA-N 1 0 314.360 3.702 20 5 DHBDRO CCOc1cc(C[N@H+]([C@@H](C)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000492372297 1036851089 /nfs/dbraw/zinc/85/10/89/1036851089.db2.gz BHAKTDWDCBXTHT-LBPRGKRZSA-N 1 0 304.390 3.756 20 5 DHBDRO CCC(CC)[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001184740319 1036943417 /nfs/dbraw/zinc/94/34/17/1036943417.db2.gz PILXHHGOERADID-QGZVFWFLSA-N 1 0 305.422 3.907 20 5 DHBDRO CC[NH+](CC)C[C@H](C)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001185089460 1037022834 /nfs/dbraw/zinc/02/28/34/1037022834.db2.gz ZEJUPXNQDNDMCX-JTQLQIEISA-N 1 0 319.327 3.756 20 5 DHBDRO Cc1cc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001185159099 1037049303 /nfs/dbraw/zinc/04/93/03/1037049303.db2.gz SGUZSZFPDHDASF-GFCCVEGCSA-N 1 0 323.412 3.965 20 5 DHBDRO CC[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905227 1037195424 /nfs/dbraw/zinc/19/54/24/1037195424.db2.gz LPSJDPJUFFGTQN-ZDUSSCGKSA-N 1 0 307.350 3.658 20 5 DHBDRO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000487675345 1037248199 /nfs/dbraw/zinc/24/81/99/1037248199.db2.gz QHESTRRTPACBPL-HNNXBMFYSA-N 1 0 314.385 3.975 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000193902081 1037305903 /nfs/dbraw/zinc/30/59/03/1037305903.db2.gz IWQHTUBIJORAFM-QWHCGFSZSA-N 1 0 312.369 3.942 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000776016672 1037313094 /nfs/dbraw/zinc/31/30/94/1037313094.db2.gz UBSCGIZTANWDJZ-IAGOWNOFSA-N 1 0 306.406 3.577 20 5 DHBDRO COc1cc(C[N@H+](C)C[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000489206264 1037313195 /nfs/dbraw/zinc/31/31/95/1037313195.db2.gz NZOVOZXHRMPTEW-CQSZACIVSA-N 1 0 314.385 3.839 20 5 DHBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC001186367490 1037373851 /nfs/dbraw/zinc/37/38/51/1037373851.db2.gz CLWYZVHKLCFVCP-AWEZNQCLSA-N 1 0 311.813 3.781 20 5 DHBDRO Cc1cc(NC[C@H]2[N@H+](C)CCCC2(C)C)c(F)cc1[N+](=O)[O-] ZINC001186368116 1037375536 /nfs/dbraw/zinc/37/55/36/1037375536.db2.gz MOGTUWJHGGLFSB-OAHLLOKOSA-N 1 0 309.385 3.575 20 5 DHBDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000194414701 1037487321 /nfs/dbraw/zinc/48/73/21/1037487321.db2.gz VSZWROZKWLWZMT-BLLLJJGKSA-N 1 0 300.358 3.644 20 5 DHBDRO CCC(C)(C)[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001186872826 1037509685 /nfs/dbraw/zinc/50/96/85/1037509685.db2.gz QJTIQQWCRQWJAX-UHFFFAOYSA-N 1 0 311.813 3.559 20 5 DHBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC001187024422 1037547096 /nfs/dbraw/zinc/54/70/96/1037547096.db2.gz DSQKHJXXPIWWFC-KBPBESRZSA-N 1 0 309.797 3.533 20 5 DHBDRO CC1([NH+]2CCCC2)CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001187233931 1037600564 /nfs/dbraw/zinc/60/05/64/1037600564.db2.gz NPDXAFVYDZOOIY-UHFFFAOYSA-N 1 0 323.824 3.703 20 5 DHBDRO CC(C)OC1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000130262686 1037633522 /nfs/dbraw/zinc/63/35/22/1037633522.db2.gz PDTHPYJMMBOXCO-FNORWQNLSA-N 1 0 318.417 3.934 20 5 DHBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000490538062 1037734638 /nfs/dbraw/zinc/73/46/38/1037734638.db2.gz DZEJVTNCBAHMEM-SJKOYZFVSA-N 1 0 300.333 3.927 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000055102574 1038034984 /nfs/dbraw/zinc/03/49/84/1038034984.db2.gz NPIYSLNYAZMEMY-UHFFFAOYSA-N 1 0 312.369 3.680 20 5 DHBDRO Cc1nc2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])cc2s1 ZINC000494325387 1038053804 /nfs/dbraw/zinc/05/38/04/1038053804.db2.gz DIDPMSFXUOQPLZ-UHFFFAOYSA-N 1 0 313.382 3.803 20 5 DHBDRO Cc1csc(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000157275424 1038283875 /nfs/dbraw/zinc/28/38/75/1038283875.db2.gz ILNVNKUXYPJAJF-CYBMUJFWSA-N 1 0 319.430 3.952 20 5 DHBDRO CC[N@H+](Cc1ccc(C)cc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC001190560088 1038343144 /nfs/dbraw/zinc/34/31/44/1038343144.db2.gz HFRVSADLWBNHNM-UHFFFAOYSA-N 1 0 314.385 3.934 20 5 DHBDRO C[C@H]1CCC[N@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000589107415 1038431920 /nfs/dbraw/zinc/43/19/20/1038431920.db2.gz SNLZPLKPGZXLIU-NSHDSACASA-N 1 0 313.348 3.676 20 5 DHBDRO CCC1(CC)[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC001191744084 1038541874 /nfs/dbraw/zinc/54/18/74/1038541874.db2.gz YJPCMWJIDNJDDP-CVEARBPZSA-N 1 0 306.406 3.620 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590601956 1038675396 /nfs/dbraw/zinc/67/53/96/1038675396.db2.gz UFHIDMTXLRNZMG-GDBMZVCRSA-N 1 0 311.385 3.930 20 5 DHBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC001192605861 1038683276 /nfs/dbraw/zinc/68/32/76/1038683276.db2.gz XQJPGHRDMLIRHS-AWEZNQCLSA-N 1 0 310.442 3.540 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000590659576 1038687128 /nfs/dbraw/zinc/68/71/28/1038687128.db2.gz GBYANAXFHAQOIK-INIZCTEOSA-N 1 0 312.369 3.680 20 5 DHBDRO C[NH+](C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000045733268 1038786727 /nfs/dbraw/zinc/78/67/27/1038786727.db2.gz RRTLHHNPRXQTCW-CQSZACIVSA-N 1 0 309.366 3.510 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)OCC1CC1 ZINC000573339430 1038904892 /nfs/dbraw/zinc/90/48/92/1038904892.db2.gz VDQSISRYRVEBTD-CYBMUJFWSA-N 1 0 306.406 3.759 20 5 DHBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000598977872 1038974370 /nfs/dbraw/zinc/97/43/70/1038974370.db2.gz PDOCJSKNVJOAKC-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO CC(C)c1ccc(CNC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994378 1038986383 /nfs/dbraw/zinc/98/63/83/1038986383.db2.gz LPZPJJBUMBOWGB-INIZCTEOSA-N 1 0 319.449 3.540 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000599075007 1039028078 /nfs/dbraw/zinc/02/80/78/1039028078.db2.gz ZNASPFKFWVYSRR-RHSMWYFYSA-N 1 0 317.433 3.571 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2C)cc1[N+](=O)[O-] ZINC000599072801 1039029524 /nfs/dbraw/zinc/02/95/24/1039029524.db2.gz IQWVGKNGLNDGJU-LBPRGKRZSA-N 1 0 315.373 3.548 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000599073968 1039029602 /nfs/dbraw/zinc/02/96/02/1039029602.db2.gz OTGBNEZDUGHOPW-WMLDXEAASA-N 1 0 317.433 3.571 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000599073966 1039030831 /nfs/dbraw/zinc/03/08/31/1039030831.db2.gz OTGBNEZDUGHOPW-PBHICJAKSA-N 1 0 317.433 3.571 20 5 DHBDRO C[C@H](CCO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000593694247 1039081580 /nfs/dbraw/zinc/08/15/80/1039081580.db2.gz LHGZSEQDIMMEFE-GFCCVEGCSA-N 1 0 320.414 3.526 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593696016 1039085685 /nfs/dbraw/zinc/08/56/85/1039085685.db2.gz ATZGKNJDOWPEGX-BLMSOEDDSA-N 1 0 308.328 3.729 20 5 DHBDRO CCO[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CC1 ZINC000599270524 1039111353 /nfs/dbraw/zinc/11/13/53/1039111353.db2.gz NHMSZEMTGQVETN-KRWDZBQOSA-N 1 0 306.406 3.620 20 5 DHBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000592380741 1039184858 /nfs/dbraw/zinc/18/48/58/1039184858.db2.gz QCWYMGRETHPOTF-SMDDNHRTSA-N 1 0 318.398 3.838 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000603850881 1039187010 /nfs/dbraw/zinc/18/70/10/1039187010.db2.gz HIYDPYGJKWRZIY-QGZVFWFLSA-N 1 0 314.360 3.941 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000603853980 1039190231 /nfs/dbraw/zinc/19/02/31/1039190231.db2.gz OGEYGGJBRFSKNK-AWEZNQCLSA-N 1 0 320.418 3.546 20 5 DHBDRO C[C@@H]1CC(F)(F)CCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599623228 1039229057 /nfs/dbraw/zinc/22/90/57/1039229057.db2.gz MXNKTSWLUVYLJF-SECBINFHSA-N 1 0 304.724 3.868 20 5 DHBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(F)c1 ZINC000058563864 1039277302 /nfs/dbraw/zinc/27/73/02/1039277302.db2.gz ROMYATGGJPSEJS-UHFFFAOYSA-N 1 0 318.348 3.635 20 5 DHBDRO CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)C ZINC000604492910 1039485522 /nfs/dbraw/zinc/48/55/22/1039485522.db2.gz UMYCPJKORYPSRQ-UHFFFAOYSA-N 1 0 318.377 3.513 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC2CCCC2)c1 ZINC000604532206 1039495305 /nfs/dbraw/zinc/49/53/05/1039495305.db2.gz KAGTVBGDDDDXFL-UHFFFAOYSA-N 1 0 314.332 3.866 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c(Cl)c1 ZINC000594509023 1039807362 /nfs/dbraw/zinc/80/73/62/1039807362.db2.gz GSWVWUUKXIAEEA-HOTGVXAUSA-N 1 0 324.808 3.686 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594510341 1039814383 /nfs/dbraw/zinc/81/43/83/1039814383.db2.gz IUTSKECIYOJYTI-DOPJRALCSA-N 1 0 318.417 3.902 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594512898 1039815141 /nfs/dbraw/zinc/81/51/41/1039815141.db2.gz SPOJYQJDTQOFQY-KKXDTOCCSA-N 1 0 318.417 3.902 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000594513597 1039816608 /nfs/dbraw/zinc/81/66/08/1039816608.db2.gz LWKKAXVAPZAACM-IUODEOHRSA-N 1 0 322.405 3.613 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594516856 1039820227 /nfs/dbraw/zinc/82/02/27/1039820227.db2.gz GRTVVOLISWSQBJ-UXLLHSPISA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000594519860 1039824862 /nfs/dbraw/zinc/82/48/62/1039824862.db2.gz MABYDKZWPOIEAG-CJNGLKHVSA-N 1 0 304.390 3.737 20 5 DHBDRO CC(C)(F)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594973143 1039948568 /nfs/dbraw/zinc/94/85/68/1039948568.db2.gz OBOIQWSKFHYHRA-UHFFFAOYSA-N 1 0 323.393 3.946 20 5 DHBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000059371390 1039957219 /nfs/dbraw/zinc/95/72/19/1039957219.db2.gz WACIPWGESQXCRD-ZDUSSCGKSA-N 1 0 318.348 3.806 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000594955944 1039962584 /nfs/dbraw/zinc/96/25/84/1039962584.db2.gz QLEBWJWUFOLKEN-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CCC(O)(CC)C(C)(C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594963263 1039969205 /nfs/dbraw/zinc/96/92/05/1039969205.db2.gz IEVDVSMIZKPWLC-PKNBQFBNSA-N 1 0 320.433 3.775 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000595018077 1039976548 /nfs/dbraw/zinc/97/65/48/1039976548.db2.gz PRSOFWOPOWZOBH-RYUDHWBXSA-N 1 0 320.414 3.947 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)F)nc1 ZINC000595015232 1039981845 /nfs/dbraw/zinc/98/18/45/1039981845.db2.gz YYWDVLMRLUQDMY-NSHDSACASA-N 1 0 321.327 3.821 20 5 DHBDRO CC1(C)[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(F)F ZINC000594991146 1040007288 /nfs/dbraw/zinc/00/72/88/1040007288.db2.gz FDPKZAQGIAORFI-LLVKDONJSA-N 1 0 304.724 3.629 20 5 DHBDRO COc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000594997405 1040010675 /nfs/dbraw/zinc/01/06/75/1040010675.db2.gz KSLUNZBNBAEBEW-UHFFFAOYSA-N 1 0 312.369 3.772 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000594043809 1040014826 /nfs/dbraw/zinc/01/48/26/1040014826.db2.gz OYEKVMXBEROQCP-GJZGRUSLSA-N 1 0 312.797 3.686 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000595007390 1040017252 /nfs/dbraw/zinc/01/72/52/1040017252.db2.gz ILSDLHRYOKAHQA-OBJOEFQTSA-N 1 0 324.446 3.928 20 5 DHBDRO CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595056863 1040023058 /nfs/dbraw/zinc/02/30/58/1040023058.db2.gz RWNJGGCBOYGVDZ-HOCLYGCPSA-N 1 0 305.422 3.508 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000595032583 1040039780 /nfs/dbraw/zinc/03/97/80/1040039780.db2.gz NLYHTVKKTNTOOM-WCQYABFASA-N 1 0 310.419 3.540 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000595034028 1040041737 /nfs/dbraw/zinc/04/17/37/1040041737.db2.gz ORKTWIGTNOKCSR-NHYWBVRUSA-N 1 0 322.405 3.600 20 5 DHBDRO CCSC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000595101561 1040067144 /nfs/dbraw/zinc/06/71/44/1040067144.db2.gz WVGPVFLXISBYLE-HNNXBMFYSA-N 1 0 320.458 3.791 20 5 DHBDRO COCc1csc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000595079829 1040071602 /nfs/dbraw/zinc/07/16/02/1040071602.db2.gz ZGWWIWYHAUMCBS-LBPRGKRZSA-N 1 0 320.414 3.962 20 5 DHBDRO C[C@@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000595079542 1040072673 /nfs/dbraw/zinc/07/26/73/1040072673.db2.gz KHRBYMOSIALZGN-CABCVRRESA-N 1 0 310.344 3.997 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000595079273 1040072895 /nfs/dbraw/zinc/07/28/95/1040072895.db2.gz JLMKXLRLBOLRMS-IPYPFGDCSA-N 1 0 322.405 3.602 20 5 DHBDRO C[C@]1(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000595080011 1040073527 /nfs/dbraw/zinc/07/35/27/1040073527.db2.gz IRBRHCQMAUDTNX-CABCVRRESA-N 1 0 310.344 3.997 20 5 DHBDRO CC1(C)[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1(F)F ZINC000595091388 1040078393 /nfs/dbraw/zinc/07/83/93/1040078393.db2.gz HZYWDWQZLXGQHQ-ZIAGYGMSSA-N 1 0 310.344 3.853 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000595092813 1040079458 /nfs/dbraw/zinc/07/94/58/1040079458.db2.gz XDSFYBVKFBRZTK-PXAZEXFGSA-N 1 0 312.369 3.947 20 5 DHBDRO CC1(C)[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1(F)F ZINC000595093193 1040079895 /nfs/dbraw/zinc/07/98/95/1040079895.db2.gz NYOTZHXARSINLF-UKRRQHHQSA-N 1 0 324.371 3.797 20 5 DHBDRO Cc1noc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595324886 1040108070 /nfs/dbraw/zinc/10/80/70/1040108070.db2.gz CRBJREOPFBZFGH-DOMZBBRYSA-N 1 0 315.373 3.517 20 5 DHBDRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595414786 1040133957 /nfs/dbraw/zinc/13/39/57/1040133957.db2.gz MYUUDUSLEWTGPV-GFCCVEGCSA-N 1 0 318.348 3.983 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000595426346 1040135059 /nfs/dbraw/zinc/13/50/59/1040135059.db2.gz SZMWXDHZSIXAOM-KRWDZBQOSA-N 1 0 300.333 3.975 20 5 DHBDRO CC[C@@H](c1ccncc1)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595400780 1040138850 /nfs/dbraw/zinc/13/88/50/1040138850.db2.gz LMMCMDLITWTYBM-HNNXBMFYSA-N 1 0 303.337 3.712 20 5 DHBDRO COc1cc(C[NH+]2CCC(c3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000595617632 1040193696 /nfs/dbraw/zinc/19/36/96/1040193696.db2.gz XTCXZYCAJAYZEW-UHFFFAOYSA-N 1 0 316.357 3.576 20 5 DHBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[NH+](C)C ZINC000596428625 1040451581 /nfs/dbraw/zinc/45/15/81/1040451581.db2.gz FVJXKXHEENXWLV-LBPRGKRZSA-N 1 0 309.410 3.524 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000602020370 1040855769 /nfs/dbraw/zinc/85/57/69/1040855769.db2.gz KKDQEUCWSVNSRB-UKRRQHHQSA-N 1 0 311.385 3.845 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122132262 1041041386 /nfs/dbraw/zinc/04/13/86/1041041386.db2.gz DFOBAJVBYGWPIH-RDTXWAMCSA-N 1 0 313.401 3.548 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCCSCC1 ZINC000602590875 1041106120 /nfs/dbraw/zinc/10/61/20/1041106120.db2.gz KAJMLVDAYMBFMI-UHFFFAOYSA-N 1 0 320.336 3.553 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CS1 ZINC000602641035 1041126603 /nfs/dbraw/zinc/12/66/03/1041126603.db2.gz OXXUMDQQDDAOQW-GZMMTYOYSA-N 1 0 320.336 3.597 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000602679827 1041162393 /nfs/dbraw/zinc/16/23/93/1041162393.db2.gz SEPDBQAASFRNRI-GFCCVEGCSA-N 1 0 300.280 3.598 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602715379 1041172252 /nfs/dbraw/zinc/17/22/52/1041172252.db2.gz GRUNRKHPQZSFKZ-SNVBAGLBSA-N 1 0 319.224 3.697 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000602711945 1041172430 /nfs/dbraw/zinc/17/24/30/1041172430.db2.gz SZIIUXQJPKVCQK-NSHDSACASA-N 1 0 324.249 3.749 20 5 DHBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000602715543 1041172580 /nfs/dbraw/zinc/17/25/80/1041172580.db2.gz OQEKNEOHCWWMDE-UHFFFAOYSA-N 1 0 304.312 3.706 20 5 DHBDRO CCC(CC)[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602803361 1041228068 /nfs/dbraw/zinc/22/80/68/1041228068.db2.gz XGEOKRAXJPZIPI-MRXNPFEDSA-N 1 0 316.405 3.595 20 5 DHBDRO CCC1([NH+](C)C)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000602966435 1041332073 /nfs/dbraw/zinc/33/20/73/1041332073.db2.gz FMTGZSNESFFYHS-HNNXBMFYSA-N 1 0 319.449 3.770 20 5 DHBDRO CCC([NH3+])(CC)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000236826268 202028420 /nfs/dbraw/zinc/02/84/20/202028420.db2.gz FIFLCYPLKGNPAK-UHFFFAOYSA-N 1 0 321.424 3.635 20 5 DHBDRO CCCO[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093316822 193230554 /nfs/dbraw/zinc/23/05/54/193230554.db2.gz VJOCPNJQWAXQGF-JZLODUJNSA-N 1 0 318.417 3.889 20 5 DHBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000042553885 183284377 /nfs/dbraw/zinc/28/43/77/183284377.db2.gz LVEPZFOKAIFUQB-VHSXEESVSA-N 1 0 315.211 3.882 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000271556261 129935037 /nfs/dbraw/zinc/93/50/37/129935037.db2.gz VVKXBWBYQFGQEZ-UONOGXRCSA-N 1 0 304.390 3.656 20 5 DHBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000273069110 130086907 /nfs/dbraw/zinc/08/69/07/130086907.db2.gz OAHLFCOPQHKUOH-VXGBXAGGSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000273069107 130087324 /nfs/dbraw/zinc/08/73/24/130087324.db2.gz OAHLFCOPQHKUOH-RYUDHWBXSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000273123065 130090349 /nfs/dbraw/zinc/09/03/49/130090349.db2.gz ZZMXQHJRDSBMOV-NWDGAFQWSA-N 1 0 312.797 3.543 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000274814224 130263684 /nfs/dbraw/zinc/26/36/84/130263684.db2.gz YNDZPLWDUWFJGX-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000279732529 130760016 /nfs/dbraw/zinc/76/00/16/130760016.db2.gz NQLHNOBDRHSDST-KDOFPFPSSA-N 1 0 314.385 3.503 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000281904351 130891473 /nfs/dbraw/zinc/89/14/73/130891473.db2.gz BRULFUYGCYSZNY-CZUORRHYSA-N 1 0 304.390 3.595 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000282680278 130934475 /nfs/dbraw/zinc/93/44/75/130934475.db2.gz JQXNPUFDOZDCCR-PBHICJAKSA-N 1 0 318.417 3.903 20 5 DHBDRO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000284076727 131046016 /nfs/dbraw/zinc/04/60/16/131046016.db2.gz LPYQCJGPMFMGBL-NWDGAFQWSA-N 1 0 315.373 3.597 20 5 DHBDRO COc1ncc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000284513508 131087019 /nfs/dbraw/zinc/08/70/19/131087019.db2.gz WFYCHLOQEHLXOW-JTQLQIEISA-N 1 0 321.764 3.503 20 5 DHBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1csc(C2CC2)n1 ZINC000285281685 131154784 /nfs/dbraw/zinc/15/47/84/131154784.db2.gz JMJBDZQDUUKALV-UHFFFAOYSA-N 1 0 317.414 3.603 20 5 DHBDRO Cc1cccc(CCC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000285491571 131173365 /nfs/dbraw/zinc/17/33/65/131173365.db2.gz IROQQOSCNRMSQN-UHFFFAOYSA-N 1 0 319.792 3.674 20 5 DHBDRO CCOC(=O)CC(C)(C)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000287702266 131295825 /nfs/dbraw/zinc/29/58/25/131295825.db2.gz JGNAQWNAJIZUBJ-ZDUSSCGKSA-N 1 0 322.405 3.615 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000288637328 131333729 /nfs/dbraw/zinc/33/37/29/131333729.db2.gz UAQXAFZULOHAMR-LBPRGKRZSA-N 1 0 318.760 3.514 20 5 DHBDRO C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000119865713 132138374 /nfs/dbraw/zinc/13/83/74/132138374.db2.gz LWEOSCICALCVQQ-CYBMUJFWSA-N 1 0 305.422 3.508 20 5 DHBDRO Cc1cccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000317910939 332770634 /nfs/dbraw/zinc/77/06/34/332770634.db2.gz RDRNAKUHEIODFA-AWEZNQCLSA-N 1 0 300.358 3.633 20 5 DHBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000323062806 331615397 /nfs/dbraw/zinc/61/53/97/331615397.db2.gz MHJJQFNBLVTINU-KRWDZBQOSA-N 1 0 312.369 3.689 20 5 DHBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000556924818 331754942 /nfs/dbraw/zinc/75/49/42/331754942.db2.gz MWXHTEBGDYHGKA-CLWVCHIJSA-N 1 0 320.458 3.647 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)c(F)c1 ZINC000449099381 331769147 /nfs/dbraw/zinc/76/91/47/331769147.db2.gz SWRIJZRENNGUNI-NSHDSACASA-N 1 0 306.312 3.594 20 5 DHBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000557690765 331808833 /nfs/dbraw/zinc/80/88/33/331808833.db2.gz ASSJAXQEYXSSFC-ABAIWWIYSA-N 1 0 321.352 3.868 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275356 331919449 /nfs/dbraw/zinc/91/94/49/331919449.db2.gz VUNWDOXSBBIYDD-CYBMUJFWSA-N 1 0 300.383 3.574 20 5 DHBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000176450279 332941463 /nfs/dbraw/zinc/94/14/63/332941463.db2.gz YWQYETHULDEIMD-CYBMUJFWSA-N 1 0 309.369 3.969 20 5 DHBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093839069 332142975 /nfs/dbraw/zinc/14/29/75/332142975.db2.gz XGDSGKWSIIHFHC-HNNXBMFYSA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000448023575 332189372 /nfs/dbraw/zinc/18/93/72/332189372.db2.gz UEWVSEGDYZRBJK-PBHICJAKSA-N 1 0 319.449 3.674 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000584292313 332220767 /nfs/dbraw/zinc/22/07/67/332220767.db2.gz GFXYTLHLCIRJOF-KQGZCTBQSA-N 1 0 316.401 3.642 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CO1 ZINC000583381032 332376228 /nfs/dbraw/zinc/37/62/28/332376228.db2.gz SLINLCBVHCFJAK-AAEUAGOBSA-N 1 0 318.398 3.590 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195347870 335111047 /nfs/dbraw/zinc/11/10/47/335111047.db2.gz PVDFUCDBRLPHHT-JSGCOSHPSA-N 1 0 317.414 3.992 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccc(F)cn1 ZINC000318368538 332693651 /nfs/dbraw/zinc/69/36/51/332693651.db2.gz AUUZZBOVOHOUDX-AWEZNQCLSA-N 1 0 303.337 3.678 20 5 DHBDRO CCC[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180266239 333027591 /nfs/dbraw/zinc/02/75/91/333027591.db2.gz QDIWPFJUWXEJKS-IRXDYDNUSA-N 1 0 306.406 3.985 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000378901876 333061659 /nfs/dbraw/zinc/06/16/59/333061659.db2.gz HUVOHQQITWOQLC-OAHLLOKOSA-N 1 0 300.358 3.844 20 5 DHBDRO C=Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000462905983 333130427 /nfs/dbraw/zinc/13/04/27/333130427.db2.gz MFFMUKDYQMYPNR-UHFFFAOYSA-N 1 0 300.333 3.709 20 5 DHBDRO COC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000537985173 333171297 /nfs/dbraw/zinc/17/12/97/333171297.db2.gz VKKKRORJFRBCAI-SJKOYZFVSA-N 1 0 318.348 3.772 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCC(C(F)F)CC1 ZINC000582073027 333200478 /nfs/dbraw/zinc/20/04/78/333200478.db2.gz PWAWEMQUVFZCJC-QIMFLAQGSA-N 1 0 310.344 3.996 20 5 DHBDRO CCC[C@H](NCC[N@H+](C)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000318973224 333236084 /nfs/dbraw/zinc/23/60/84/333236084.db2.gz HPVAHOMGTDKASN-YOEHRIQHSA-N 1 0 307.438 3.756 20 5 DHBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(C)c1O ZINC000319185866 333270672 /nfs/dbraw/zinc/27/06/72/333270672.db2.gz KXXDFKBXKHWVMO-UHFFFAOYSA-N 1 0 300.358 3.515 20 5 DHBDRO C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188666577 333384745 /nfs/dbraw/zinc/38/47/45/333384745.db2.gz DBGXIYRLRMWVCI-GUYCJALGSA-N 1 0 306.406 3.577 20 5 DHBDRO Cc1cc(NC[C@@H]2CCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228581845 333391644 /nfs/dbraw/zinc/39/16/44/333391644.db2.gz JBLOKXDKKHGPFY-NSHDSACASA-N 1 0 303.387 3.616 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc(Br)c1 ZINC000048068886 333568995 /nfs/dbraw/zinc/56/89/95/333568995.db2.gz NXVQYZIASVNLGA-UHFFFAOYSA-N 1 0 321.174 3.647 20 5 DHBDRO C[C@H]([NH2+][C@@H]1C[C@H]1c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000411448729 333671925 /nfs/dbraw/zinc/67/19/25/333671925.db2.gz FJJQYJWZOKZOBE-MZPVMMEZSA-N 1 0 300.333 3.941 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000414071157 333891051 /nfs/dbraw/zinc/89/10/51/333891051.db2.gz CXPHCHMQHUBWBM-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO COC1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000414166109 333916209 /nfs/dbraw/zinc/91/62/09/333916209.db2.gz DHTXUBADYHLWPL-PGEKIEPBSA-N 1 0 304.390 3.519 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000414253099 333920969 /nfs/dbraw/zinc/92/09/69/333920969.db2.gz ATXGZAQVVZGXLL-LGWLGOQQSA-N 1 0 306.406 3.839 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414342105 333942861 /nfs/dbraw/zinc/94/28/61/333942861.db2.gz PMYRXQXGIIYFLY-NWANDNLSSA-N 1 0 300.358 3.655 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CS1 ZINC000414499519 333998588 /nfs/dbraw/zinc/99/85/88/333998588.db2.gz KFZSVAPJIFALTO-AAEUAGOBSA-N 1 0 318.398 3.838 20 5 DHBDRO Cc1c(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000343456685 335170050 /nfs/dbraw/zinc/17/00/50/335170050.db2.gz NCFKEGFOFHMJGP-QGZVFWFLSA-N 1 0 315.348 3.678 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000275634340 334072658 /nfs/dbraw/zinc/07/26/58/334072658.db2.gz QVSVMALKWYHNGZ-QWHCGFSZSA-N 1 0 316.323 3.848 20 5 DHBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279321298 334107737 /nfs/dbraw/zinc/10/77/37/334107737.db2.gz SJFCKGJJEBRTRQ-NHYWBVRUSA-N 1 0 301.346 3.528 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCSC3)o2)cc1 ZINC000279844486 334112487 /nfs/dbraw/zinc/11/24/87/334112487.db2.gz CZAMPIFNBBHYDK-LBPRGKRZSA-N 1 0 318.398 3.698 20 5 DHBDRO CC(C)c1ccc([C@H]([NH3+])CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000414853831 334127648 /nfs/dbraw/zinc/12/76/48/334127648.db2.gz YGLFYXLNCNMQIU-QGZVFWFLSA-N 1 0 313.401 3.508 20 5 DHBDRO COCC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000531956975 334313192 /nfs/dbraw/zinc/31/31/92/334313192.db2.gz IJIWCYMTTKEAAB-UHFFFAOYSA-N 1 0 318.398 3.592 20 5 DHBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2[nH]cnc2c1 ZINC000535078668 334364445 /nfs/dbraw/zinc/36/44/45/334364445.db2.gz BILIUGNCQPEGQO-UHFFFAOYSA-N 1 0 324.384 3.882 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000341710665 334472810 /nfs/dbraw/zinc/47/28/10/334472810.db2.gz NQNSNGVXMTZDCZ-GOSISDBHSA-N 1 0 314.360 3.944 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3cc(F)ccc32)c1 ZINC000341875805 334488682 /nfs/dbraw/zinc/48/86/82/334488682.db2.gz DBDOJTOILGXCMX-SFHVURJKSA-N 1 0 314.360 3.944 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(O)c1)CCCC2 ZINC000417306845 334704522 /nfs/dbraw/zinc/70/45/22/334704522.db2.gz AYHLPXBEWGQPPN-GOSISDBHSA-N 1 0 312.369 3.858 20 5 DHBDRO Cc1cncc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417312321 334705301 /nfs/dbraw/zinc/70/53/01/334705301.db2.gz RVXUVBOOVNKJME-SFHVURJKSA-N 1 0 311.385 3.856 20 5 DHBDRO CC(C)c1ccc(CN(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000343619820 335182088 /nfs/dbraw/zinc/18/20/88/335182088.db2.gz KIWUFOBMOIQDAG-UHFFFAOYSA-N 1 0 319.449 3.636 20 5 DHBDRO CC[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000343925811 335202367 /nfs/dbraw/zinc/20/23/67/335202367.db2.gz IMSHNRCCNWAUMP-YOEHRIQHSA-N 1 0 312.369 3.812 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000343925805 335202379 /nfs/dbraw/zinc/20/23/79/335202379.db2.gz IMSHNRCCNWAUMP-PBHICJAKSA-N 1 0 312.369 3.812 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)CCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000344624954 335264913 /nfs/dbraw/zinc/26/49/13/335264913.db2.gz MHQMEXNSLFFQHX-GFCCVEGCSA-N 1 0 318.373 3.616 20 5 DHBDRO CC[C@@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000345519549 335334331 /nfs/dbraw/zinc/33/43/31/335334331.db2.gz PSABWPZMJRHMMZ-CHWSQXEVSA-N 1 0 320.311 3.603 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000519179872 335813262 /nfs/dbraw/zinc/81/32/62/335813262.db2.gz AMUBXRQBLDDPOL-CJNGLKHVSA-N 1 0 316.401 3.664 20 5 DHBDRO CC(=O)c1ccc(NCCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000351849145 336073382 /nfs/dbraw/zinc/07/33/82/336073382.db2.gz FUSCMABPZUZBIW-UHFFFAOYSA-N 1 0 321.421 3.718 20 5 DHBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC2=CCCCC2)n1 ZINC000331691469 336144685 /nfs/dbraw/zinc/14/46/85/336144685.db2.gz BIZKTTLMRQIIPI-HZPDHXFCSA-N 1 0 318.421 3.755 20 5 DHBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332365100 336169652 /nfs/dbraw/zinc/16/96/52/336169652.db2.gz RCPYYAVOBIJQDW-MLGOLLRUSA-N 1 0 320.389 3.520 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cccs1)CCC2 ZINC000192604063 336182285 /nfs/dbraw/zinc/18/22/85/336182285.db2.gz RUVYRZPMEOMZKY-INIZCTEOSA-N 1 0 302.399 3.866 20 5 DHBDRO CO[C@H](C)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352685074 336230330 /nfs/dbraw/zinc/23/03/30/336230330.db2.gz RJGZHIOCRPYAQT-KDOFPFPSSA-N 1 0 314.385 3.699 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000042331647 336239148 /nfs/dbraw/zinc/23/91/48/336239148.db2.gz MJFFWWASWQKKNX-INIZCTEOSA-N 1 0 302.399 3.940 20 5 DHBDRO CCC(CC)[C@@H](CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000532617789 336257740 /nfs/dbraw/zinc/25/77/40/336257740.db2.gz OHZZRILPOUDICB-QGZVFWFLSA-N 1 0 308.422 3.834 20 5 DHBDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192904274 336283264 /nfs/dbraw/zinc/28/32/64/336283264.db2.gz MUWRYRZCMNMSQM-MLGOLLRUSA-N 1 0 306.406 3.765 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000301056059 336287551 /nfs/dbraw/zinc/28/75/51/336287551.db2.gz JUSLQTMTWMCLJX-HNNXBMFYSA-N 1 0 317.414 3.905 20 5 DHBDRO CC(C)C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[NH+](C)C ZINC000301059753 336287742 /nfs/dbraw/zinc/28/77/42/336287742.db2.gz AFEOFHQUSYFHDR-OAHLLOKOSA-N 1 0 316.405 3.531 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])cc1F ZINC000301104095 336290220 /nfs/dbraw/zinc/29/02/20/336290220.db2.gz PFQQCCULEWGDFN-CYBMUJFWSA-N 1 0 309.385 3.800 20 5 DHBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000301131577 336291576 /nfs/dbraw/zinc/29/15/76/336291576.db2.gz ZIFYKBVACFBJKF-INIZCTEOSA-N 1 0 317.433 3.543 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000301215382 336295299 /nfs/dbraw/zinc/29/52/99/336295299.db2.gz ZSRGKXZXILVFIH-AWEZNQCLSA-N 1 0 323.824 3.703 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2c(C)cccc2[N+](=O)[O-])c1 ZINC000301226604 336295747 /nfs/dbraw/zinc/29/57/47/336295747.db2.gz GQMYOSPTQZYODY-UHFFFAOYSA-N 1 0 313.401 3.967 20 5 DHBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(C)(C)C[NH+](C)C ZINC000301360577 336302561 /nfs/dbraw/zinc/30/25/61/336302561.db2.gz QCNUOZWAMKYOEF-LBPRGKRZSA-N 1 0 316.405 3.531 20 5 DHBDRO COc1cc(NC[C@@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301383282 336303714 /nfs/dbraw/zinc/30/37/14/336303714.db2.gz VPCMYIJJEIDUEA-INIZCTEOSA-N 1 0 321.421 3.526 20 5 DHBDRO Cc1cc(NCc2ccc(C[NH+](C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000301850053 336333935 /nfs/dbraw/zinc/33/39/35/336333935.db2.gz ARBLVIVGWMQMSW-UHFFFAOYSA-N 1 0 317.364 3.716 20 5 DHBDRO O=[N+]([O-])c1ccsc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000302009938 336342927 /nfs/dbraw/zinc/34/29/27/336342927.db2.gz YDOIBEDUWMUJIV-UHFFFAOYSA-N 1 0 323.462 3.749 20 5 DHBDRO O=[N+]([O-])c1ccsc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000302010514 336342937 /nfs/dbraw/zinc/34/29/37/336342937.db2.gz YHUAYPYZJJICMD-GFCCVEGCSA-N 1 0 323.443 3.967 20 5 DHBDRO Cc1cc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000302057970 336346032 /nfs/dbraw/zinc/34/60/32/336346032.db2.gz RMHVQGVPKOCZMR-CABCVRRESA-N 1 0 317.433 3.968 20 5 DHBDRO COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000320918841 336385183 /nfs/dbraw/zinc/38/51/83/336385183.db2.gz DWNKOBZLYVLIAD-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO Cc1cc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000108097540 336392926 /nfs/dbraw/zinc/39/29/26/336392926.db2.gz QXVZVEYDFUAZQZ-KRWDZBQOSA-N 1 0 317.364 3.757 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000360932864 336728145 /nfs/dbraw/zinc/72/81/45/336728145.db2.gz HDFJJLSGAGZDBJ-XYPHTWIQSA-N 1 0 306.406 3.983 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2ccccn2)CC1 ZINC000367461670 336822967 /nfs/dbraw/zinc/82/29/67/336822967.db2.gz ZSIFSVFIDNEIGN-FNORWQNLSA-N 1 0 323.396 3.883 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000377788681 337061126 /nfs/dbraw/zinc/06/11/26/337061126.db2.gz XVRUCQUXOLYKES-MSOLQXFVSA-N 1 0 312.369 3.605 20 5 DHBDRO CO[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000378630664 337077014 /nfs/dbraw/zinc/07/70/14/337077014.db2.gz GJHYTOFVJOOWIC-HNNXBMFYSA-N 1 0 306.406 3.719 20 5 DHBDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000582573954 337107578 /nfs/dbraw/zinc/10/75/78/337107578.db2.gz XDTZATUMWBOXNZ-LBPRGKRZSA-N 1 0 320.414 3.790 20 5 DHBDRO CCC[N@H+](CC)C[C@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000582634972 337116546 /nfs/dbraw/zinc/11/65/46/337116546.db2.gz NSCWIVYEDKMSFP-SFKKXYGYSA-N 1 0 319.449 3.708 20 5 DHBDRO COc1cc(C[N@H+]([C@H](C)C2CC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184245602 337197598 /nfs/dbraw/zinc/19/75/98/337197598.db2.gz VWGWTGLRDYINOI-SNVBAGLBSA-N 1 0 308.353 3.505 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000582877409 337209139 /nfs/dbraw/zinc/20/91/39/337209139.db2.gz OBLWUTPFODPYFW-FSBNRTBOSA-N 1 0 310.344 3.975 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186705787 337258875 /nfs/dbraw/zinc/25/88/75/337258875.db2.gz JOUOSQBQAJLPGC-IFXJQAMLSA-N 1 0 324.380 3.787 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc2ncccc2c1 ZINC000192975833 337308832 /nfs/dbraw/zinc/30/88/32/337308832.db2.gz YZIPFFQRKUMPSM-UHFFFAOYSA-N 1 0 307.353 3.741 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000584552524 337360477 /nfs/dbraw/zinc/36/04/77/337360477.db2.gz GLEUHMDORNGLFY-AWEZNQCLSA-N 1 0 308.447 3.951 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125627902 337413059 /nfs/dbraw/zinc/41/30/59/337413059.db2.gz JTFSVWVOBVWKGZ-UHFFFAOYSA-N 1 0 318.417 3.909 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC12CCSCC2 ZINC000421366991 337532664 /nfs/dbraw/zinc/53/26/64/337532664.db2.gz ARGBEPNUICLWAS-UKRRQHHQSA-N 1 0 320.458 3.649 20 5 DHBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284139072 337571055 /nfs/dbraw/zinc/57/10/55/337571055.db2.gz ORMACZJXWHSICB-GFCCVEGCSA-N 1 0 315.329 3.662 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C12CCC2 ZINC000571895865 337581379 /nfs/dbraw/zinc/58/13/79/337581379.db2.gz XFYGHCYMZAFUKN-DJIMGWMZSA-N 1 0 316.401 3.519 20 5 DHBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000537024214 337870910 /nfs/dbraw/zinc/87/09/10/337870910.db2.gz BNGFWJXEVNPFFN-LLVKDONJSA-N 1 0 322.311 3.603 20 5 DHBDRO C[C@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCS1 ZINC000120399854 337875053 /nfs/dbraw/zinc/87/50/53/337875053.db2.gz JMIJFDHJUKXKPW-DOTOQJQBSA-N 1 0 320.458 3.791 20 5 DHBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000122100842 337908620 /nfs/dbraw/zinc/90/86/20/337908620.db2.gz GPGIMXYDCXPUDK-KBPBESRZSA-N 1 0 308.422 3.709 20 5 DHBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000537306678 337930251 /nfs/dbraw/zinc/93/02/51/337930251.db2.gz KCMCLNHONIPERR-NOXHYTERSA-N 1 0 306.406 3.613 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@H](C)CC1 ZINC000426389397 338030074 /nfs/dbraw/zinc/03/00/74/338030074.db2.gz FDFXPWIBAVPHFZ-JWAFFJSPSA-N 1 0 306.431 3.826 20 5 DHBDRO Cc1nc(C(C)C)oc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000428313471 338046854 /nfs/dbraw/zinc/04/68/54/338046854.db2.gz QQLJQQZUKPSOJE-LLVKDONJSA-N 1 0 303.362 3.865 20 5 DHBDRO Cc1c(CN2Cc3ccccc3O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000429194523 338072886 /nfs/dbraw/zinc/07/28/86/338072886.db2.gz ZRVGIPBRMPYILP-ZDUSSCGKSA-N 1 0 312.369 3.686 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000429414434 338080233 /nfs/dbraw/zinc/08/02/33/338080233.db2.gz XZBVZMOKQJLFNR-BLLLJJGKSA-N 1 0 304.390 3.977 20 5 DHBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429683099 338087371 /nfs/dbraw/zinc/08/73/71/338087371.db2.gz INMHHSYETVMPBI-UKRRQHHQSA-N 1 0 312.410 3.888 20 5 DHBDRO CCOC1(C)CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000430101882 338096683 /nfs/dbraw/zinc/09/66/83/338096683.db2.gz XGMMHTPDWWLPDF-NTCAYCPXSA-N 1 0 318.417 3.889 20 5 DHBDRO COCC(C)(C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000430144092 338098882 /nfs/dbraw/zinc/09/88/82/338098882.db2.gz YSUUZOWKIXFLET-UHFFFAOYSA-N 1 0 318.373 3.712 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000430208229 338101535 /nfs/dbraw/zinc/10/15/35/338101535.db2.gz AVRMUXDVXGMILJ-CQSZACIVSA-N 1 0 314.385 3.839 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232222 338102324 /nfs/dbraw/zinc/10/23/24/338102324.db2.gz FWGQEWVMCGWENA-ZFWWWQNUSA-N 1 0 324.446 3.709 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000432324860 338153030 /nfs/dbraw/zinc/15/30/30/338153030.db2.gz IAQHQRYHCRWIRJ-UHFFFAOYSA-N 1 0 323.824 3.560 20 5 DHBDRO CC1(C)CC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433073417 338180204 /nfs/dbraw/zinc/18/02/04/338180204.db2.gz GEMOYLKVBPEDOD-CJNGLKHVSA-N 1 0 318.417 3.864 20 5 DHBDRO CC1(C)CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)O1 ZINC000433073618 338180276 /nfs/dbraw/zinc/18/02/76/338180276.db2.gz GEMOYLKVBPEDOD-CZUORRHYSA-N 1 0 318.417 3.864 20 5 DHBDRO CC[NH+](CC)C[C@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163671 338183455 /nfs/dbraw/zinc/18/34/55/338183455.db2.gz CBTQTUBXLNLGCO-SUMWQHHRSA-N 1 0 319.449 3.637 20 5 DHBDRO CC[NH+](CC)C[C@@H](C)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163668 338183543 /nfs/dbraw/zinc/18/35/43/338183543.db2.gz CBTQTUBXLNLGCO-CXAGYDPISA-N 1 0 319.449 3.637 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000433215737 338186183 /nfs/dbraw/zinc/18/61/83/338186183.db2.gz RBXSMABSQUOCKV-JCURWCKSSA-N 1 0 318.417 3.864 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433287795 338189394 /nfs/dbraw/zinc/18/93/94/338189394.db2.gz LJCAHNFXDMAJIQ-GFCCVEGCSA-N 1 0 302.296 3.859 20 5 DHBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433289741 338189535 /nfs/dbraw/zinc/18/95/35/338189535.db2.gz PTRJZYDMYMPQKW-GVDBMIGSSA-N 1 0 318.417 3.864 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000435583691 338242863 /nfs/dbraw/zinc/24/28/63/338242863.db2.gz HRGKAHGPFIVCAO-HNNXBMFYSA-N 1 0 318.421 3.507 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1 ZINC000435726040 338246287 /nfs/dbraw/zinc/24/62/87/338246287.db2.gz LBZOQHCNKTZPCO-SAZUREKKSA-N 1 0 318.323 3.909 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000435793083 338249524 /nfs/dbraw/zinc/24/95/24/338249524.db2.gz YKONBQIHDDYOSS-HDJSIYSDSA-N 1 0 300.333 3.770 20 5 DHBDRO Cc1cccc(CN(C)Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000437888865 338324297 /nfs/dbraw/zinc/32/42/97/338324297.db2.gz LBOMBVWYFLYLJQ-UHFFFAOYSA-N 1 0 305.765 3.584 20 5 DHBDRO C[C@H](c1ccco1)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000440899743 338399583 /nfs/dbraw/zinc/39/95/83/338399583.db2.gz UMLUTYAQSUTYFA-CYBMUJFWSA-N 1 0 316.357 3.792 20 5 DHBDRO CCC(CC)(CC)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446838359 338537743 /nfs/dbraw/zinc/53/77/43/338537743.db2.gz HPJAHCMKMXOVSS-UHFFFAOYSA-N 1 0 304.394 3.777 20 5 DHBDRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446845199 338538241 /nfs/dbraw/zinc/53/82/41/338538241.db2.gz YSSVXEAYHWLBHW-NWDGAFQWSA-N 1 0 304.394 3.776 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC[C@@H]3C3CC3)nc2c1 ZINC000446849978 338538421 /nfs/dbraw/zinc/53/84/21/338538421.db2.gz SYFMUHLAGOPOJH-KGLIPLIRSA-N 1 0 314.389 3.530 20 5 DHBDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447528908 338554252 /nfs/dbraw/zinc/55/42/52/338554252.db2.gz JVISMZUDWMDAKG-UGUYLWEFSA-N 1 0 320.437 3.691 20 5 DHBDRO C[C@@H](Cc1ccncc1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447587309 338559784 /nfs/dbraw/zinc/55/97/84/338559784.db2.gz QVOCOYQCLKEQJY-SCLBCKFNSA-N 1 0 311.385 3.588 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOc2ccccc21 ZINC000449058990 338589271 /nfs/dbraw/zinc/58/92/71/338589271.db2.gz NQFQGFUBZXTHGI-XJKSGUPXSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOc2ccccc21 ZINC000449058988 338589289 /nfs/dbraw/zinc/58/92/89/338589289.db2.gz NQFQGFUBZXTHGI-CJNGLKHVSA-N 1 0 312.369 3.639 20 5 DHBDRO COCCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449181106 338600014 /nfs/dbraw/zinc/60/00/14/338600014.db2.gz DYCKQLIGFDHGRA-OAHLLOKOSA-N 1 0 320.433 3.712 20 5 DHBDRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449236973 338605157 /nfs/dbraw/zinc/60/51/57/338605157.db2.gz MIGOKFNXEDHFPN-NWDGAFQWSA-N 1 0 319.430 3.684 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C)cs1 ZINC000449477056 338628751 /nfs/dbraw/zinc/62/87/51/338628751.db2.gz HKCPJRSSMIUCBN-UHFFFAOYSA-N 1 0 306.387 3.653 20 5 DHBDRO CC(C)[C@@H](CO)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000451612755 338740417 /nfs/dbraw/zinc/74/04/17/338740417.db2.gz MUEHOBGMNYWYQM-IAOVAPTHSA-N 1 0 308.422 3.535 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000452054207 338752202 /nfs/dbraw/zinc/75/22/02/338752202.db2.gz QCAPUYJLGGOTKN-IAOVAPTHSA-N 1 0 306.406 3.902 20 5 DHBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000453147129 338799606 /nfs/dbraw/zinc/79/96/06/338799606.db2.gz ISIPVVCFJNTVOW-VBNZEHGJSA-N 1 0 304.390 3.511 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1(C)C ZINC000453281571 338818240 /nfs/dbraw/zinc/81/82/40/338818240.db2.gz HHZPHLNCYNPIAF-SWLSCSKDSA-N 1 0 324.446 3.623 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC1CC(F)(F)C1)C1CC1 ZINC000453411613 338840252 /nfs/dbraw/zinc/84/02/52/338840252.db2.gz IOTYBAXLTLFMMT-HNNXBMFYSA-N 1 0 324.371 3.941 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459652864 339040740 /nfs/dbraw/zinc/04/07/40/339040740.db2.gz QZFUYBGFWNLBMX-OLZOCXBDSA-N 1 0 317.364 3.801 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)c(C)n1 ZINC000459662561 339041400 /nfs/dbraw/zinc/04/14/00/339041400.db2.gz HAAJAPZPSJBJBC-LCYFTJDESA-N 1 0 311.385 3.800 20 5 DHBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000459754237 339046409 /nfs/dbraw/zinc/04/64/09/339046409.db2.gz JGNSVSJYSVXIJI-APHBMKBZSA-N 1 0 304.390 3.511 20 5 DHBDRO CO[C@@H]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459775164 339047769 /nfs/dbraw/zinc/04/77/69/339047769.db2.gz JJRDOXPUTVGOLQ-DKTLHIEFSA-N 1 0 316.401 3.545 20 5 DHBDRO Cc1cc(N2CCC(CCC[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461941729 339069348 /nfs/dbraw/zinc/06/93/48/339069348.db2.gz MQBMAMPLOGUPQT-UHFFFAOYSA-N 1 0 323.412 3.601 20 5 DHBDRO CCN(Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463476897 339119175 /nfs/dbraw/zinc/11/91/75/339119175.db2.gz TUOZFQKOPBLYBK-UHFFFAOYSA-N 1 0 318.348 3.765 20 5 DHBDRO CCC1(CC)C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CCS1 ZINC000464584814 339146207 /nfs/dbraw/zinc/14/62/07/339146207.db2.gz AJAYDJWNVFCHFT-UHFFFAOYSA-N 1 0 324.446 3.711 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000467336400 339232271 /nfs/dbraw/zinc/23/22/71/339232271.db2.gz WSGSUXJGRJWTQL-RKTXRCNFSA-N 1 0 318.417 3.841 20 5 DHBDRO C[C@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000467836858 339247315 /nfs/dbraw/zinc/24/73/15/339247315.db2.gz TUCXCLVKMDNFII-OAGGEKHMSA-N 1 0 319.449 3.613 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000468027503 339251438 /nfs/dbraw/zinc/25/14/38/339251438.db2.gz SPTGRKLPVXPTIQ-NXEZZACHSA-N 1 0 320.311 3.985 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000468612620 339267093 /nfs/dbraw/zinc/26/70/93/339267093.db2.gz ZMAFOYBVJGPJGG-YYOKVSEPSA-N 1 0 318.417 3.793 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1Cc2ccccc2C1 ZINC000468623492 339267309 /nfs/dbraw/zinc/26/73/09/339267309.db2.gz YUHIWFGIFZTSCJ-NTEUORMPSA-N 1 0 308.381 3.755 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000468622617 339267316 /nfs/dbraw/zinc/26/73/16/339267316.db2.gz UVMDZBJZBRQRMB-JISFIMLSSA-N 1 0 316.401 3.545 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(F)cc1 ZINC000468634343 339267564 /nfs/dbraw/zinc/26/75/64/339267564.db2.gz CNTYLJYPSRFLQK-SDNWHVSQSA-N 1 0 314.360 3.970 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccccc1O ZINC000468635989 339267688 /nfs/dbraw/zinc/26/76/88/339267688.db2.gz VUJVXUAPYKSJNL-KAMYIIQDSA-N 1 0 312.369 3.536 20 5 DHBDRO COc1cccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000468653879 339268123 /nfs/dbraw/zinc/26/81/23/339268123.db2.gz YWIYIIAHNSDCKS-NTEUORMPSA-N 1 0 312.369 3.797 20 5 DHBDRO CO[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000468735353 339269477 /nfs/dbraw/zinc/26/94/77/339269477.db2.gz SPXYFUNTNJTPIF-LRFDDAOPSA-N 1 0 306.406 3.649 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(C)CCCS1 ZINC000468820098 339271730 /nfs/dbraw/zinc/27/17/30/339271730.db2.gz DCGDDEZMGXMROC-WQMJKPAKSA-N 1 0 306.431 3.873 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(C)CCCS1 ZINC000468820056 339271798 /nfs/dbraw/zinc/27/17/98/339271798.db2.gz DCGDDEZMGXMROC-OVHOFWQVSA-N 1 0 306.431 3.873 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000470175279 339312855 /nfs/dbraw/zinc/31/28/55/339312855.db2.gz BSHZQMVYFTVPCJ-PTNGSMBKSA-N 1 0 316.401 3.501 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473162742 339383432 /nfs/dbraw/zinc/38/34/32/339383432.db2.gz QAALWRSBNJFNHL-KUHUBIRLSA-N 1 0 324.380 3.787 20 5 DHBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000474057739 339399783 /nfs/dbraw/zinc/39/97/83/339399783.db2.gz PEVAXJGXJFEDPV-LBPRGKRZSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000474080539 339401330 /nfs/dbraw/zinc/40/13/30/339401330.db2.gz KYAXKILQKAMSJD-LBPRGKRZSA-N 1 0 312.360 3.941 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCCc1ccc(F)c(F)c1 ZINC000479416118 339533946 /nfs/dbraw/zinc/53/39/46/339533946.db2.gz WCZLXGGNNIYWLL-UHFFFAOYSA-N 1 0 320.339 3.986 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000479510000 339538550 /nfs/dbraw/zinc/53/85/50/339538550.db2.gz HQUCZGLLOFAECS-UKRRQHHQSA-N 1 0 308.422 3.741 20 5 DHBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000479580061 339542210 /nfs/dbraw/zinc/54/22/10/339542210.db2.gz OMRFBCMRFQXIBZ-YZJPHSQXSA-N 1 0 318.417 3.791 20 5 DHBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000479580058 339542239 /nfs/dbraw/zinc/54/22/39/339542239.db2.gz OMRFBCMRFQXIBZ-QWYBNYMASA-N 1 0 318.417 3.791 20 5 DHBDRO Cc1c(C[NH2+]C/C=C\c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000480461477 339573849 /nfs/dbraw/zinc/57/38/49/339573849.db2.gz OJKWQWIBLQMKGR-HYXAFXHYSA-N 1 0 318.323 3.984 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc1[N+](=O)[O-] ZINC000480467353 339573906 /nfs/dbraw/zinc/57/39/06/339573906.db2.gz LXNRRVKATDMKDL-MRXNPFEDSA-N 1 0 318.417 3.875 20 5 DHBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481186703 339597867 /nfs/dbraw/zinc/59/78/67/339597867.db2.gz IHHAMSPUIANXOE-UHIISALHSA-N 1 0 310.369 3.657 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000482249977 339627648 /nfs/dbraw/zinc/62/76/48/339627648.db2.gz PXCQMAVYCSWZMF-ZWKOTPCHSA-N 1 0 320.433 3.967 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000483714622 339672495 /nfs/dbraw/zinc/67/24/95/339672495.db2.gz PINVVOZZNKECJY-RRQGHBQHSA-N 1 0 318.417 3.902 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000483725949 339672955 /nfs/dbraw/zinc/67/29/55/339672955.db2.gz IUKAIKMNOPPNMO-SDNTUTLCSA-N 1 0 318.417 3.757 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccc3[nH]ccc32)c(F)c1 ZINC000500529708 340061505 /nfs/dbraw/zinc/06/15/05/340061505.db2.gz HPEMPTPFBHJRDW-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO C[C@@H]([NH2+]CCc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000502664618 340109883 /nfs/dbraw/zinc/10/98/83/340109883.db2.gz QQSZNGWOTLNFTA-SNVBAGLBSA-N 1 0 324.302 3.905 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000507208008 340213344 /nfs/dbraw/zinc/21/33/44/340213344.db2.gz FNNYEGCACLXFNG-NEPJUHHUSA-N 1 0 310.357 3.883 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000507831448 340233649 /nfs/dbraw/zinc/23/36/49/340233649.db2.gz RDOPDLDIIFAMLX-LBPRGKRZSA-N 1 0 320.776 3.978 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3c2c(F)ccc3F)cc1 ZINC000507880321 340235077 /nfs/dbraw/zinc/23/50/77/340235077.db2.gz NSFXKIDLTBQIGS-INIZCTEOSA-N 1 0 318.323 3.693 20 5 DHBDRO Cn1c2ccccc2nc1CCSc1cccc([N+](=O)[O-])c1 ZINC000509714900 340277814 /nfs/dbraw/zinc/27/78/14/340277814.db2.gz UMGLFSVWYFLPHQ-UHFFFAOYSA-N 1 0 313.382 3.816 20 5 DHBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000511073407 340320159 /nfs/dbraw/zinc/32/01/59/340320159.db2.gz PHGDIEZXPUHTAQ-UHFFFAOYSA-N 1 0 304.777 3.923 20 5 DHBDRO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000513823553 340426831 /nfs/dbraw/zinc/42/68/31/340426831.db2.gz WMEBYKSLVQBCBL-UWWQBHOKSA-N 1 0 320.433 3.567 20 5 DHBDRO C[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000036997537 340731837 /nfs/dbraw/zinc/73/18/37/340731837.db2.gz WTNOTXCGXPAJQP-GFCCVEGCSA-N 1 0 304.777 3.969 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCCOC2CCCC2)cccc1[N+](=O)[O-] ZINC000125278299 340803349 /nfs/dbraw/zinc/80/33/49/340803349.db2.gz MCDWMIKPRIVHQI-AWEZNQCLSA-N 1 0 306.406 3.903 20 5 DHBDRO CCC(CC)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000538153613 340811544 /nfs/dbraw/zinc/81/15/44/340811544.db2.gz XNCMTGHZSRUGCN-QGZVFWFLSA-N 1 0 316.405 3.558 20 5 DHBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000067949787 340873366 /nfs/dbraw/zinc/87/33/66/340873366.db2.gz REKNGZFFAYMFDI-CYBMUJFWSA-N 1 0 321.421 3.720 20 5 DHBDRO Cc1ccc2c(c1)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000540168730 340919841 /nfs/dbraw/zinc/91/98/41/340919841.db2.gz NTFWWJUNVACNEO-GOSISDBHSA-N 1 0 312.369 3.559 20 5 DHBDRO C[C@H]([NH2+]CCCNc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000542489186 341010025 /nfs/dbraw/zinc/01/00/25/341010025.db2.gz YMVNMIWCONDFIJ-ZDUSSCGKSA-N 1 0 317.364 3.887 20 5 DHBDRO CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000564258948 341019288 /nfs/dbraw/zinc/01/92/88/341019288.db2.gz JDOFEUNWPWKVNM-CABCVRRESA-N 1 0 320.437 3.835 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000543704460 341054370 /nfs/dbraw/zinc/05/43/70/341054370.db2.gz HRULFTJPEUCBSI-SWLSCSKDSA-N 1 0 306.406 3.900 20 5 DHBDRO C[C@@H]([NH2+]CCCNc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000544373371 341078741 /nfs/dbraw/zinc/07/87/41/341078741.db2.gz DIPHAPQOVNLKLI-CYBMUJFWSA-N 1 0 317.364 3.887 20 5 DHBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000131462144 341090299 /nfs/dbraw/zinc/09/02/99/341090299.db2.gz ZOWCLHXTIXAXCZ-KDOFPFPSSA-N 1 0 314.385 3.942 20 5 DHBDRO CCC(CC)(C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000546870678 341184338 /nfs/dbraw/zinc/18/43/38/341184338.db2.gz YDSGKPFSRDJLHT-ZDUSSCGKSA-N 1 0 322.405 3.533 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000135171051 341232715 /nfs/dbraw/zinc/23/27/15/341232715.db2.gz PDGNGGRZUJBHCQ-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO COc1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000080347412 341272986 /nfs/dbraw/zinc/27/29/86/341272986.db2.gz PDIDSCHQZZSJGD-UHFFFAOYSA-N 1 0 300.358 3.628 20 5 DHBDRO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000548935863 341281699 /nfs/dbraw/zinc/28/16/99/341281699.db2.gz AEDALWBYKVCJSG-UHFFFAOYSA-N 1 0 304.415 3.948 20 5 DHBDRO C[C@@H]1CC(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000548993652 341283119 /nfs/dbraw/zinc/28/31/19/341283119.db2.gz QCQFQKWCFMFWFU-JFOCPDPESA-N 1 0 318.417 3.791 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@H](C)F)o2)c([N+](=O)[O-])c1 ZINC000549883824 341305830 /nfs/dbraw/zinc/30/58/30/341305830.db2.gz NDXQSZRYCBECSV-NSHDSACASA-N 1 0 322.336 3.701 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CCN(CCOC1CCCCCC1)C2 ZINC000550197062 341312258 /nfs/dbraw/zinc/31/22/58/341312258.db2.gz GFGZYAIWZOOGAZ-UHFFFAOYSA-N 1 0 318.417 3.692 20 5 DHBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000162994109 341410651 /nfs/dbraw/zinc/41/06/51/341410651.db2.gz TXXASSPJDMPGFY-NQBHXWOUSA-N 1 0 303.362 3.650 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H](F)C1 ZINC000554375118 341452355 /nfs/dbraw/zinc/45/23/55/341452355.db2.gz HZSPGJUAOSXBDM-YNEHKIRRSA-N 1 0 312.410 3.946 20 5 DHBDRO Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000554993527 341472157 /nfs/dbraw/zinc/47/21/57/341472157.db2.gz CGFMVANNTHHVCX-AWEZNQCLSA-N 1 0 313.401 3.927 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000556238331 341498656 /nfs/dbraw/zinc/49/86/56/341498656.db2.gz IUBAHVZIDAZDGO-AEFFLSMTSA-N 1 0 320.433 3.824 20 5 DHBDRO CC(C)[NH+](CCCN[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000155801817 341613406 /nfs/dbraw/zinc/61/34/06/341613406.db2.gz KXLHPWIYUYNQLF-OAHLLOKOSA-N 1 0 307.438 3.754 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000271670758 341624010 /nfs/dbraw/zinc/62/40/10/341624010.db2.gz MZGKBKMHSDRVLX-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000573220035 341721611 /nfs/dbraw/zinc/72/16/11/341721611.db2.gz VQEFZXZLRCGBHF-YGRLFVJLSA-N 1 0 317.414 3.740 20 5 DHBDRO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000573254342 341722532 /nfs/dbraw/zinc/72/25/32/341722532.db2.gz ALEAAOGKAAQCTL-XJKSGUPXSA-N 1 0 312.369 3.558 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CS1 ZINC000575235384 341788935 /nfs/dbraw/zinc/78/89/35/341788935.db2.gz BIHWEQBJUMUNLV-PVXIVEMSSA-N 1 0 306.431 3.846 20 5 DHBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000474925496 517706408 /nfs/dbraw/zinc/70/64/08/517706408.db2.gz WKZHGBINFKQJRH-WFASDCNBSA-N 1 0 312.797 3.543 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000479484312 517827308 /nfs/dbraw/zinc/82/73/08/517827308.db2.gz HCMVUDNHRHRRMM-ROUUACIJSA-N 1 0 320.433 3.967 20 5 DHBDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000156698785 520372489 /nfs/dbraw/zinc/37/24/89/520372489.db2.gz IXEVDSCTYRRVQB-ZDUSSCGKSA-N 1 0 315.373 3.629 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)CCOC)cc1[N+](=O)[O-] ZINC000183932447 521257143 /nfs/dbraw/zinc/25/71/43/521257143.db2.gz VNPVVQIMNFIQML-ZDUSSCGKSA-N 1 0 324.421 3.707 20 5 DHBDRO CCC[NH+](CCC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000267901682 521650408 /nfs/dbraw/zinc/65/04/08/521650408.db2.gz LNJIQXQXYXRIDW-LBPRGKRZSA-N 1 0 318.377 3.828 20 5 DHBDRO CCSc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000189606839 521734190 /nfs/dbraw/zinc/73/41/90/521734190.db2.gz FSMIOVUMXGPXCX-UHFFFAOYSA-N 1 0 317.414 3.700 20 5 DHBDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178671739 522639266 /nfs/dbraw/zinc/63/92/66/522639266.db2.gz FGYVHIKDDAGTGX-ROUUACIJSA-N 1 0 314.385 3.543 20 5 DHBDRO CC[C@@H]([NH2+]CCc1sc(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000157979923 522844526 /nfs/dbraw/zinc/84/45/26/522844526.db2.gz OYNRUKHZBRSDGZ-OAHLLOKOSA-N 1 0 319.430 3.952 20 5 DHBDRO CC[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000156989033 522866558 /nfs/dbraw/zinc/86/65/58/522866558.db2.gz ZQLXYNOWUGXNNL-ZBFHGGJFSA-N 1 0 320.414 3.605 20 5 DHBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000131499902 523540958 /nfs/dbraw/zinc/54/09/58/523540958.db2.gz XJJYJNOMAQZDBY-GUYCJALGSA-N 1 0 300.358 3.633 20 5 DHBDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151907840 524515635 /nfs/dbraw/zinc/51/56/35/524515635.db2.gz UWFKQAMVVMANEY-RYUDHWBXSA-N 1 0 320.414 3.745 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000246463379 524517632 /nfs/dbraw/zinc/51/76/32/524517632.db2.gz OEWGCUUQDKKFJH-NEPJUHHUSA-N 1 0 317.414 3.949 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000266819517 525618001 /nfs/dbraw/zinc/61/80/01/525618001.db2.gz YQJIUDWZZKNLIY-HOCLYGCPSA-N 1 0 311.385 3.524 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000188055911 525625812 /nfs/dbraw/zinc/62/58/12/525625812.db2.gz VVANQNYSMLLZNJ-ZBEGNZNMSA-N 1 0 316.332 3.908 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000162935819 525654983 /nfs/dbraw/zinc/65/49/83/525654983.db2.gz RBXQBSIVHFHBKC-UOJCXKCYSA-N 1 0 316.401 3.593 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000266819521 525685180 /nfs/dbraw/zinc/68/51/80/525685180.db2.gz YQJIUDWZZKNLIY-ZBFHGGJFSA-N 1 0 311.385 3.524 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000156940868 525923218 /nfs/dbraw/zinc/92/32/18/525923218.db2.gz XGUXUGJVMKIOAF-BLLLJJGKSA-N 1 0 320.414 3.523 20 5 DHBDRO Cc1csc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000156774035 526332397 /nfs/dbraw/zinc/33/23/97/526332397.db2.gz APCSBHQWVTZPQQ-UHFFFAOYSA-N 1 0 317.414 3.739 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000190800531 527350481 /nfs/dbraw/zinc/35/04/81/527350481.db2.gz JBLDCHGBXCTXGG-UHFFFAOYSA-N 1 0 312.369 3.673 20 5 DHBDRO Cc1nccn1CCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000164644150 527404214 /nfs/dbraw/zinc/40/42/14/527404214.db2.gz OFYKYMJOFJSHDN-CQSZACIVSA-N 1 0 316.405 3.539 20 5 DHBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000289249047 535171225 /nfs/dbraw/zinc/17/12/25/535171225.db2.gz CGERKMUKRYDTNG-HNNXBMFYSA-N 1 0 320.414 3.506 20 5 DHBDRO CC(C)C[NH+]1CCN(c2ccc3ccc4cccnc4c3n2)CC1 ZINC001164651847 719331152 /nfs/dbraw/zinc/33/11/52/719331152.db2.gz JGQWWVHQMRPSOI-UHFFFAOYSA-N 1 0 320.440 3.561 20 5 DHBDRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000356721344 1013473130 /nfs/dbraw/zinc/47/31/30/1013473130.db2.gz GSODYQFQDHXMTK-COXVUDFISA-N 1 0 306.406 3.983 20 5 DHBDRO Cc1ccc([C@H](C)[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000059038172 1013484766 /nfs/dbraw/zinc/48/47/66/1013484766.db2.gz DITRWTGUEXLVSX-HNNXBMFYSA-N 1 0 314.385 3.975 20 5 DHBDRO CCc1noc(C)c1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000340440899 1013794433 /nfs/dbraw/zinc/79/44/33/1013794433.db2.gz TTXDVIBTIKLTRO-QGZVFWFLSA-N 1 0 315.373 3.621 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccccc1-n1ccnc1 ZINC001210444998 1013856455 /nfs/dbraw/zinc/85/64/55/1013856455.db2.gz SRBCEKFKZSMSER-UHFFFAOYSA-N 1 0 310.313 3.533 20 5 DHBDRO CCC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000120910343 1013880163 /nfs/dbraw/zinc/88/01/63/1013880163.db2.gz VAQKCGMXUCKRLS-LBPRGKRZSA-N 1 0 303.362 3.748 20 5 DHBDRO O=[N+]([O-])CC[N@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001307463196 1013882513 /nfs/dbraw/zinc/88/25/13/1013882513.db2.gz KMFQJLBXGYEIBV-UHFFFAOYSA-N 1 0 316.323 3.727 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000441444730 1013882629 /nfs/dbraw/zinc/88/26/29/1013882629.db2.gz HLBKOJPJUIIWPR-RHSMWYFYSA-N 1 0 304.390 3.628 20 5 DHBDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000610345675 1013956717 /nfs/dbraw/zinc/95/67/17/1013956717.db2.gz YIHUUKBRIBXPGR-UKRRQHHQSA-N 1 0 308.422 3.605 20 5 DHBDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000090519230 1014073678 /nfs/dbraw/zinc/07/36/78/1014073678.db2.gz HYYAKQIHBIWPHV-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000090543982 1014138336 /nfs/dbraw/zinc/13/83/36/1014138336.db2.gz IJDYOUAGBRHSPY-MPGHIAIKSA-N 1 0 320.433 3.885 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000441490069 1014259072 /nfs/dbraw/zinc/25/90/72/1014259072.db2.gz VOVNKAVASXRXKV-SFHVURJKSA-N 1 0 318.417 3.561 20 5 DHBDRO CC[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000319889055 1014269964 /nfs/dbraw/zinc/26/99/64/1014269964.db2.gz WUVHQPHXNKJXDT-MAUKXSAKSA-N 1 0 319.449 3.900 20 5 DHBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000323062807 1014525854 /nfs/dbraw/zinc/52/58/54/1014525854.db2.gz MHJJQFNBLVTINU-QGZVFWFLSA-N 1 0 312.369 3.689 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000933077959 1014529488 /nfs/dbraw/zinc/52/94/88/1014529488.db2.gz HAMFMOBUBHTHSZ-QGZVFWFLSA-N 1 0 318.417 3.542 20 5 DHBDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000520892688 1014610041 /nfs/dbraw/zinc/61/00/41/1014610041.db2.gz HPINNDASHMPTMN-UHFFFAOYSA-N 1 0 313.401 3.753 20 5 DHBDRO C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000192181594 1014707031 /nfs/dbraw/zinc/70/70/31/1014707031.db2.gz RQFJRJHHOPQMJZ-JTQLQIEISA-N 1 0 300.811 3.576 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000442831594 1014745019 /nfs/dbraw/zinc/74/50/19/1014745019.db2.gz AZPMCKGOUBQUAG-LSDHHAIUSA-N 1 0 324.808 3.686 20 5 DHBDRO CCO[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492138 1014847210 /nfs/dbraw/zinc/84/72/10/1014847210.db2.gz IOFVRKLUMTYNRU-KDOFPFPSSA-N 1 0 320.433 3.965 20 5 DHBDRO C[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276240124 1014893210 /nfs/dbraw/zinc/89/32/10/1014893210.db2.gz UMPTYEFOZJGVDI-GRYCIOLGSA-N 1 0 316.361 3.579 20 5 DHBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1Br ZINC001226870851 1014964999 /nfs/dbraw/zinc/96/49/99/1014964999.db2.gz NCFNTLFOOMNBFM-SECBINFHSA-N 1 0 307.639 3.576 20 5 DHBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000348676009 1015092966 /nfs/dbraw/zinc/09/29/66/1015092966.db2.gz BTXTWXDTDPNHOY-QWHCGFSZSA-N 1 0 315.373 3.719 20 5 DHBDRO Cc1ccc(C[NH2+]Cc2cccc3c2NCCC3)cc1[N+](=O)[O-] ZINC000895458769 1015164370 /nfs/dbraw/zinc/16/43/70/1015164370.db2.gz RUDHLZCENCIMEF-UHFFFAOYSA-N 1 0 311.385 3.551 20 5 DHBDRO COc1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000895465669 1015170753 /nfs/dbraw/zinc/17/07/53/1015170753.db2.gz ITGPXAHVJKSOGP-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000025500376 1015442810 /nfs/dbraw/zinc/44/28/10/1015442810.db2.gz QNTYWUVCLVSLDW-LBPRGKRZSA-N 1 0 317.414 3.515 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000178244338 1015516199 /nfs/dbraw/zinc/51/61/99/1015516199.db2.gz MDNFDWUATNFYIG-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO CC(C)C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610582552 1015631688 /nfs/dbraw/zinc/63/16/88/1015631688.db2.gz XCYOPCOEMJNQPM-LBPRGKRZSA-N 1 0 303.362 3.604 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000129712381 1015686464 /nfs/dbraw/zinc/68/64/64/1015686464.db2.gz NVFKKCZYAZQKIG-NSHDSACASA-N 1 0 306.312 3.766 20 5 DHBDRO CCOc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000276942756 1015763830 /nfs/dbraw/zinc/76/38/30/1015763830.db2.gz SKXZGLMFEOZLBM-UHFFFAOYSA-N 1 0 312.369 3.772 20 5 DHBDRO C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000187667750 1015777643 /nfs/dbraw/zinc/77/76/43/1015777643.db2.gz NZGCNQDLDPUZLT-KDOFPFPSSA-N 1 0 314.385 3.543 20 5 DHBDRO CCO[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000610930437 1015945999 /nfs/dbraw/zinc/94/59/99/1015945999.db2.gz CHCOCWDBVVIWGB-HNNXBMFYSA-N 1 0 306.406 3.719 20 5 DHBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065209173 1015970656 /nfs/dbraw/zinc/97/06/56/1015970656.db2.gz SETIMDAUDJNXSZ-ZDUSSCGKSA-N 1 0 318.348 3.806 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000065208823 1015971567 /nfs/dbraw/zinc/97/15/67/1015971567.db2.gz RERKTOXRAVOAET-OAHLLOKOSA-N 1 0 318.398 3.872 20 5 DHBDRO CCC[C@H](N[C@@H](C)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000320343936 1016104493 /nfs/dbraw/zinc/10/44/93/1016104493.db2.gz JSNSAPAWDDDAPL-YOEHRIQHSA-N 1 0 307.438 3.754 20 5 DHBDRO COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000089512008 1032141616 /nfs/dbraw/zinc/14/16/16/1032141616.db2.gz JZBITHHYGFDSCI-KGLIPLIRSA-N 1 0 314.385 3.885 20 5 DHBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135476492 1016236630 /nfs/dbraw/zinc/23/66/30/1016236630.db2.gz QXUCJECJGQITSH-LBPRGKRZSA-N 1 0 300.811 3.576 20 5 DHBDRO C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc2ccccc2n1 ZINC000089512115 1032144955 /nfs/dbraw/zinc/14/49/55/1032144955.db2.gz WUBWJNIGDHVGRB-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000119913229 1016428673 /nfs/dbraw/zinc/42/86/73/1016428673.db2.gz MMLQSNKZKKAEIN-SFHVURJKSA-N 1 0 313.401 3.902 20 5 DHBDRO C[C@H](c1cccs1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051502047 1016484581 /nfs/dbraw/zinc/48/45/81/1016484581.db2.gz WGYAKAIIZSPTNT-GFCCVEGCSA-N 1 0 306.387 3.728 20 5 DHBDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000281473604 1016532738 /nfs/dbraw/zinc/53/27/38/1016532738.db2.gz FJTJYOPCBIUVMW-INIZCTEOSA-N 1 0 316.332 3.520 20 5 DHBDRO COc1cc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000349707078 1016583293 /nfs/dbraw/zinc/58/32/93/1016583293.db2.gz MZEVJNLNXCGNIX-OCCSQVGLSA-N 1 0 322.405 3.623 20 5 DHBDRO Cc1ccc(C[NH2+]C[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000108880248 1016636759 /nfs/dbraw/zinc/63/67/59/1016636759.db2.gz BDJPHFVUOAYDOQ-OAHLLOKOSA-N 1 0 312.369 3.559 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000281904346 1016792662 /nfs/dbraw/zinc/79/26/62/1016792662.db2.gz BRULFUYGCYSZNY-CJNGLKHVSA-N 1 0 304.390 3.595 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000479482773 1016961610 /nfs/dbraw/zinc/96/16/10/1016961610.db2.gz CJKIZWLPHTUYTN-RHSMWYFYSA-N 1 0 320.433 3.885 20 5 DHBDRO COc1ccc(C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000479570610 1017001114 /nfs/dbraw/zinc/00/11/14/1017001114.db2.gz PZJFEDSBLDAXDD-DZGCQCFKSA-N 1 0 304.390 3.685 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCOc2ccccc21 ZINC000563418165 1017053030 /nfs/dbraw/zinc/05/30/30/1017053030.db2.gz OXIPLTJAJCUROR-CXAGYDPISA-N 1 0 324.380 3.738 20 5 DHBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001171297976 1032283593 /nfs/dbraw/zinc/28/35/93/1032283593.db2.gz QXCNDVIQCLANJW-BBWFWOEESA-N 1 0 320.433 3.775 20 5 DHBDRO CCCCOC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000537621783 1032314492 /nfs/dbraw/zinc/31/44/92/1032314492.db2.gz DKXSVRBJWLQNEN-VURMDHGXSA-N 1 0 318.417 3.889 20 5 DHBDRO CC[N+](C)(C)Cc1ccccc1NC(=N)c1cccnc1Cl ZINC001171352672 1032511219 /nfs/dbraw/zinc/51/12/19/1032511219.db2.gz KHWULKWCAXLZNQ-UHFFFAOYSA-N 1 0 317.844 3.769 20 5 DHBDRO Cc1ncc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000773081775 1032552307 /nfs/dbraw/zinc/55/23/07/1032552307.db2.gz OGFIQPTUKRVMCP-LLVKDONJSA-N 1 0 305.403 3.561 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000773134787 1032568662 /nfs/dbraw/zinc/56/86/62/1032568662.db2.gz BGBOKBGROSKAQY-OADPDTJPSA-N 1 0 324.471 3.625 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@]1(C)CCCO ZINC000579764988 1012051764 /nfs/dbraw/zinc/05/17/64/1012051764.db2.gz QWXJGHAWAIUZNI-NKAIQICCSA-N 1 0 318.417 3.625 20 5 DHBDRO COCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000514695435 1012412770 /nfs/dbraw/zinc/41/27/70/1012412770.db2.gz BTESRZSTRWPDCR-AWEZNQCLSA-N 1 0 306.406 3.842 20 5 DHBDRO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000036935836 1032625328 /nfs/dbraw/zinc/62/53/28/1032625328.db2.gz XRYYXOMSIGCADX-LBPRGKRZSA-N 1 0 304.777 3.969 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CC(CC(F)F)C3)o2)c1 ZINC000425363929 1012491929 /nfs/dbraw/zinc/49/19/29/1012491929.db2.gz DJAXHBQIHJCRDC-UHFFFAOYSA-N 1 0 322.311 3.942 20 5 DHBDRO C[N@H+](CCC1CC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000559142995 1012514510 /nfs/dbraw/zinc/51/45/10/1012514510.db2.gz QQLCISNWWIEWCR-UHFFFAOYSA-N 1 0 302.296 3.846 20 5 DHBDRO Cc1cnc(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000515379396 1012613084 /nfs/dbraw/zinc/61/30/84/1012613084.db2.gz WRVNWRFAWJDLDA-UHFFFAOYSA-N 1 0 313.401 3.674 20 5 DHBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000515437200 1012628810 /nfs/dbraw/zinc/62/88/10/1012628810.db2.gz RKFDYUVLKPOFCJ-NOZJJQNGSA-N 1 0 302.296 3.892 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000515744492 1012709281 /nfs/dbraw/zinc/70/92/81/1012709281.db2.gz LGROBRUHGODFMW-QGZVFWFLSA-N 1 0 314.360 3.941 20 5 DHBDRO CCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000516910763 1012859730 /nfs/dbraw/zinc/85/97/30/1012859730.db2.gz GRTJFXAYUSLLBH-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000336862977 1013014606 /nfs/dbraw/zinc/01/46/06/1013014606.db2.gz HEHBKUVUZGYRHJ-UNEWFSDZSA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000079198983 1017165874 /nfs/dbraw/zinc/16/58/74/1017165874.db2.gz DXKPDORYXNNOMX-KRWDZBQOSA-N 1 0 315.373 3.529 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+]CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000237287414 1017385928 /nfs/dbraw/zinc/38/59/28/1017385928.db2.gz UOHSWPSYNDURMH-UHFFFAOYSA-N 1 0 304.346 3.609 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000178656166 1017560879 /nfs/dbraw/zinc/56/08/79/1017560879.db2.gz GXPVBDPEAOHRJY-KGLIPLIRSA-N 1 0 300.358 3.713 20 5 DHBDRO CC(C)[C@H](C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000083168509 1017602054 /nfs/dbraw/zinc/60/20/54/1017602054.db2.gz NWSFLVRAWPZMOD-NSHDSACASA-N 1 0 303.362 3.745 20 5 DHBDRO CC[C@H]1CCCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649905 1017603588 /nfs/dbraw/zinc/60/35/88/1017603588.db2.gz LMPXBTZXZCTSLW-LBPRGKRZSA-N 1 0 302.378 3.626 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(c4ccccc4)CCC3)nc2c1 ZINC000444651143 1017606862 /nfs/dbraw/zinc/60/68/62/1017606862.db2.gz GAVVELBWLRIEBK-UHFFFAOYSA-N 1 0 322.368 3.640 20 5 DHBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686847 1017614359 /nfs/dbraw/zinc/61/43/59/1017614359.db2.gz UHSZBRBWSILBPI-BLLLJJGKSA-N 1 0 316.405 3.872 20 5 DHBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083198553 1017629877 /nfs/dbraw/zinc/62/98/77/1017629877.db2.gz MQKXUQVBSHCUPK-CQSZACIVSA-N 1 0 303.362 3.747 20 5 DHBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000235262648 1017647130 /nfs/dbraw/zinc/64/71/30/1017647130.db2.gz USDWTVYKWGBKQE-MWLCHTKSSA-N 1 0 313.195 3.636 20 5 DHBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178693684 1017781926 /nfs/dbraw/zinc/78/19/26/1017781926.db2.gz WQGOKXQCBHQPEU-QRTARXTBSA-N 1 0 306.406 3.697 20 5 DHBDRO COc1ccc(C[NH2+]C(C)(C)c2cccs2)cc1[N+](=O)[O-] ZINC000523939896 1017831836 /nfs/dbraw/zinc/83/18/36/1017831836.db2.gz JRUAVMYGXFVJEM-UHFFFAOYSA-N 1 0 306.387 3.690 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000127317186 1017956153 /nfs/dbraw/zinc/95/61/53/1017956153.db2.gz KSCXFWKDCRVYEW-KBPBESRZSA-N 1 0 304.390 3.737 20 5 DHBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1Cl ZINC000524425738 1017991956 /nfs/dbraw/zinc/99/19/56/1017991956.db2.gz IQKULJQUFLUTGH-UHFFFAOYSA-N 1 0 304.777 3.923 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000445873478 1017999442 /nfs/dbraw/zinc/99/94/42/1017999442.db2.gz BOJBQYNWSYCCIX-GFCCVEGCSA-N 1 0 320.311 3.670 20 5 DHBDRO CCC(CC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172111537 1018012462 /nfs/dbraw/zinc/01/24/62/1018012462.db2.gz HOMKYWUQEUWIPK-UHFFFAOYSA-N 1 0 305.403 3.997 20 5 DHBDRO COc1cnc(NCC[PH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC001162358145 1018034583 /nfs/dbraw/zinc/03/45/83/1018034583.db2.gz KXXNXDUTYPNIHK-UHFFFAOYSA-N 1 0 313.338 3.709 20 5 DHBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCCC1 ZINC000039536712 1018060072 /nfs/dbraw/zinc/06/00/72/1018060072.db2.gz RZLRVELASAAISV-UHFFFAOYSA-N 1 0 320.389 3.616 20 5 DHBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000524895233 1018119831 /nfs/dbraw/zinc/11/98/31/1018119831.db2.gz PSVFTJUBXZOVNL-HOTGVXAUSA-N 1 0 306.406 3.539 20 5 DHBDRO Cc1nc(C)c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000040518618 1018178782 /nfs/dbraw/zinc/17/87/82/1018178782.db2.gz QYOZWQYPBGPTNS-JTQLQIEISA-N 1 0 305.403 3.827 20 5 DHBDRO C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)Oc1ccccc1 ZINC000173415636 1018206272 /nfs/dbraw/zinc/20/62/72/1018206272.db2.gz KFLCWLNIYHFWNS-ZIAGYGMSSA-N 1 0 300.358 3.713 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000525636757 1018343131 /nfs/dbraw/zinc/34/31/31/1018343131.db2.gz KOFLTBJKNKTZKS-SFHVURJKSA-N 1 0 310.397 3.702 20 5 DHBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3CCCC3)CC2)cc1 ZINC000764746882 1018362002 /nfs/dbraw/zinc/36/20/02/1018362002.db2.gz SABQAACGBDXSMH-UHFFFAOYSA-N 1 0 317.433 3.734 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCOc1ccccc1)C1CC1 ZINC000441263426 1018394831 /nfs/dbraw/zinc/39/48/31/1018394831.db2.gz JIFLGVOUTVHBFN-UHFFFAOYSA-N 1 0 312.369 3.638 20 5 DHBDRO CC(C)C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N(C)C ZINC000447542956 1018414106 /nfs/dbraw/zinc/41/41/06/1018414106.db2.gz QDDWSJNYCGZHPY-SJLPKXTDSA-N 1 0 319.449 3.538 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000572977818 1018556372 /nfs/dbraw/zinc/55/63/72/1018556372.db2.gz LHGYJRHJIRQCKG-KGLIPLIRSA-N 1 0 304.390 3.737 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c(Cl)c1 ZINC000611784999 1018659010 /nfs/dbraw/zinc/65/90/10/1018659010.db2.gz SJPJXLFWOFNCCJ-GFCCVEGCSA-N 1 0 306.749 3.831 20 5 DHBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC(C)(C)C ZINC000263818658 1032788638 /nfs/dbraw/zinc/78/86/38/1032788638.db2.gz WUZDPILOXLKGRQ-NSHDSACASA-N 1 0 318.377 3.684 20 5 DHBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000584026538 1018873093 /nfs/dbraw/zinc/87/30/93/1018873093.db2.gz QOZPRQUWGNDIOV-CYBMUJFWSA-N 1 0 316.405 3.675 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)c1 ZINC000921834963 1018927620 /nfs/dbraw/zinc/92/76/20/1018927620.db2.gz KLORVXBMIOJHTK-OUCADQQQSA-N 1 0 324.808 3.543 20 5 DHBDRO Cc1c([N+](=O)[O-])cc(F)cc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168545451 1018951561 /nfs/dbraw/zinc/95/15/61/1018951561.db2.gz XJGVBMUYFKHNII-LBPRGKRZSA-N 1 0 315.348 3.626 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000922969028 1018955189 /nfs/dbraw/zinc/95/51/89/1018955189.db2.gz YCYAGJMGXOBSPS-CQSZACIVSA-N 1 0 324.808 3.830 20 5 DHBDRO Cc1ccc(C[NH2+][C@]2(C)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000923026617 1018989747 /nfs/dbraw/zinc/98/97/47/1018989747.db2.gz VQJIVKWWEVSZET-GOSISDBHSA-N 1 0 312.369 3.691 20 5 DHBDRO O[C@@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)[C@H]1CCCO1 ZINC000858227510 1032810744 /nfs/dbraw/zinc/81/07/44/1032810744.db2.gz URIXFBOTSNWRKC-LEWJYISDSA-N 1 0 321.420 3.623 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000573220034 1019229194 /nfs/dbraw/zinc/22/91/94/1019229194.db2.gz VQEFZXZLRCGBHF-QMTHXVAHSA-N 1 0 317.414 3.740 20 5 DHBDRO CCc1ccc([C@@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000090844002 1019421161 /nfs/dbraw/zinc/42/11/61/1019421161.db2.gz NACFIFMWBLMXIM-FZKQIMNGSA-N 1 0 314.385 3.541 20 5 DHBDRO Cc1c(C[NH+]2CCC(c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000611258529 1019424896 /nfs/dbraw/zinc/42/48/96/1019424896.db2.gz WJOTVEBSYDZXJU-UHFFFAOYSA-N 1 0 311.385 3.678 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(c2ccccn2)CC1 ZINC000611265520 1019428797 /nfs/dbraw/zinc/42/87/97/1019428797.db2.gz ZSIFSVFIDNEIGN-ALCCZGGFSA-N 1 0 323.396 3.883 20 5 DHBDRO C[C@@H]1C[C@H](Nc2sccc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000611413471 1019476509 /nfs/dbraw/zinc/47/65/09/1019476509.db2.gz WHVYFBGQGJMMNY-OCCSQVGLSA-N 1 0 317.414 3.731 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000611475908 1019498258 /nfs/dbraw/zinc/49/82/58/1019498258.db2.gz QCYJIQAWUZMBEE-PWSUYJOCSA-N 1 0 314.332 3.832 20 5 DHBDRO C[C@H](Nc1ccc(N2CCCC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000192751286 1032836907 /nfs/dbraw/zinc/83/69/07/1032836907.db2.gz PZTYWLWCDIRBGH-ZDUSSCGKSA-N 1 0 312.373 3.763 20 5 DHBDRO CCC1(Nc2nc3c(ccc4ccccc43)nc2Cl)C[NH2+]C1 ZINC001168583045 1019611034 /nfs/dbraw/zinc/61/10/34/1019611034.db2.gz FNAFNJYYEQZJNM-UHFFFAOYSA-N 1 0 312.804 3.600 20 5 DHBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000235268128 1019833942 /nfs/dbraw/zinc/83/39/42/1019833942.db2.gz USDWTVYKWGBKQE-KOLCDFICSA-N 1 0 313.195 3.636 20 5 DHBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000315513055 1019837816 /nfs/dbraw/zinc/83/78/16/1019837816.db2.gz XPUKCOVJOPLDDN-KRWDZBQOSA-N 1 0 300.358 3.715 20 5 DHBDRO CC(C)(C)n1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000080346977 1019860261 /nfs/dbraw/zinc/86/02/61/1019860261.db2.gz ZTTDWXIUZCPPMI-UHFFFAOYSA-N 1 0 316.405 3.571 20 5 DHBDRO Cc1cnc([C@H](C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000515072394 1019873095 /nfs/dbraw/zinc/87/30/95/1019873095.db2.gz JKFROHQMMMQAKG-QMTHXVAHSA-N 1 0 317.414 3.740 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000068838322 1019931490 /nfs/dbraw/zinc/93/14/90/1019931490.db2.gz IAFKHACZGZDTTB-MRXNPFEDSA-N 1 0 315.373 3.827 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000316898511 1019945113 /nfs/dbraw/zinc/94/51/13/1019945113.db2.gz ZBNBRYCPECSUDZ-UNEWFSDZSA-N 1 0 305.422 3.508 20 5 DHBDRO CC(C)[C@@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264185210 1032869903 /nfs/dbraw/zinc/86/99/03/1032869903.db2.gz LAKAAVYXIVIEPF-CYBMUJFWSA-N 1 0 317.389 3.769 20 5 DHBDRO Cc1noc(C)c1[C@@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000092332257 1020083120 /nfs/dbraw/zinc/08/31/20/1020083120.db2.gz LIAYWHGGBFXGIX-MRVPVSSYSA-N 1 0 309.753 3.704 20 5 DHBDRO CCC[N@H+](CC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264226456 1032877386 /nfs/dbraw/zinc/87/73/86/1032877386.db2.gz XAZAIMKWWORCHJ-UHFFFAOYSA-N 1 0 303.362 3.524 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1OC ZINC000922620688 1020163153 /nfs/dbraw/zinc/16/31/53/1020163153.db2.gz WNQGEIHQVDKTHN-MRXNPFEDSA-N 1 0 318.348 3.983 20 5 DHBDRO CC(C)(COCc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000389960390 1020164539 /nfs/dbraw/zinc/16/45/39/1020164539.db2.gz LYGKAASEGJZDHX-UHFFFAOYSA-N 1 0 314.385 3.680 20 5 DHBDRO C[C@H](C1CC1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000555299249 1020196741 /nfs/dbraw/zinc/19/67/41/1020196741.db2.gz AVUNHVJJLZXKQQ-SECBINFHSA-N 1 0 302.296 3.844 20 5 DHBDRO COc1ccc([C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000155211859 1020200759 /nfs/dbraw/zinc/20/07/59/1020200759.db2.gz MDVOTSFTCIXHEH-AWEZNQCLSA-N 1 0 318.398 3.654 20 5 DHBDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000155332649 1020217901 /nfs/dbraw/zinc/21/79/01/1020217901.db2.gz YEAIIMABDRTQFY-OAHLLOKOSA-N 1 0 312.369 3.593 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922730466 1020243688 /nfs/dbraw/zinc/24/36/88/1020243688.db2.gz FUXWKNIXOQYJAN-OIBJUYFYSA-N 1 0 308.687 3.536 20 5 DHBDRO CCS[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000732571787 1020254784 /nfs/dbraw/zinc/25/47/84/1020254784.db2.gz YXAVZQPJXUSABR-CQSZACIVSA-N 1 0 312.410 3.842 20 5 DHBDRO C[N@@H+]1CCC[C@H](CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000553387657 1020286043 /nfs/dbraw/zinc/28/60/43/1020286043.db2.gz HGVWPWQBYYKFEF-SECBINFHSA-N 1 0 318.204 3.655 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCSC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000922841864 1020297554 /nfs/dbraw/zinc/29/75/54/1020297554.db2.gz DLVLFUQPGAJADV-AWEZNQCLSA-N 1 0 306.431 3.811 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000922838566 1020303045 /nfs/dbraw/zinc/30/30/45/1020303045.db2.gz TXMOTFOUAMQOBN-MWLCHTKSSA-N 1 0 300.811 3.622 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCCc2cccnc21 ZINC000922885545 1020357382 /nfs/dbraw/zinc/35/73/82/1020357382.db2.gz SFMOOTJVAIJWIB-INIZCTEOSA-N 1 0 311.385 3.774 20 5 DHBDRO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(C)CC1 ZINC000733326213 1020373962 /nfs/dbraw/zinc/37/39/62/1020373962.db2.gz OVYSLQIDTWISLJ-NSHDSACASA-N 1 0 317.414 3.997 20 5 DHBDRO O=[N+]([O-])c1ccc(CCN2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000126615558 1020399259 /nfs/dbraw/zinc/39/92/59/1020399259.db2.gz AVDGMWCKZIYIEX-UHFFFAOYSA-N 1 0 321.380 3.677 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccc(Cl)s2)cs1 ZINC000225587218 1020413532 /nfs/dbraw/zinc/41/35/32/1020413532.db2.gz YGGSANJJMGSUSF-UHFFFAOYSA-N 1 0 302.808 3.704 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](c1ccco1)[NH+](C)C ZINC000302759054 1020436870 /nfs/dbraw/zinc/43/68/70/1020436870.db2.gz JNOMAZAKRDXZBE-CYBMUJFWSA-N 1 0 323.780 3.864 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001116466941 1020488179 /nfs/dbraw/zinc/48/81/79/1020488179.db2.gz NXACOMZGKHCDBL-DGCLKSJQSA-N 1 0 322.405 3.674 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000765850253 1020504621 /nfs/dbraw/zinc/50/46/21/1020504621.db2.gz WAKVUYGXTFVPMT-KSSFIOAISA-N 1 0 314.385 3.596 20 5 DHBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612457722 1020568219 /nfs/dbraw/zinc/56/82/19/1020568219.db2.gz MGIWOOZEVPGCNB-GHMZBOCLSA-N 1 0 303.362 3.650 20 5 DHBDRO Cc1cc(NC[C@@H]2CCCS2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228486114 1020615792 /nfs/dbraw/zinc/61/57/92/1020615792.db2.gz NVIMMVFRJBNXHQ-LBPRGKRZSA-N 1 0 303.387 3.759 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCc2sccc2C1 ZINC000612577495 1020628630 /nfs/dbraw/zinc/62/86/30/1020628630.db2.gz ZXSPYKLQOHKLQY-UHFFFAOYSA-N 1 0 302.399 3.913 20 5 DHBDRO CC[C@H](C)[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1Br ZINC001171917544 1032918941 /nfs/dbraw/zinc/91/89/41/1032918941.db2.gz ZIMFDBLSFOZJEY-JTQLQIEISA-N 1 0 315.211 3.978 20 5 DHBDRO CC[N@H+](CCc1ccccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734834850 1020668020 /nfs/dbraw/zinc/66/80/20/1020668020.db2.gz ANTFZXSKZCCKQM-UHFFFAOYSA-N 1 0 319.792 3.708 20 5 DHBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000066236443 1020747429 /nfs/dbraw/zinc/74/74/29/1020747429.db2.gz SSGWAYRKWGMSFV-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001218030729 1020838921 /nfs/dbraw/zinc/83/89/21/1020838921.db2.gz UPJLKGUGYXXMAY-WCBMZHEXSA-N 1 0 319.188 3.669 20 5 DHBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738052950 1020860598 /nfs/dbraw/zinc/86/05/98/1020860598.db2.gz FZALQAWPUPFYBG-BBRMVZONSA-N 1 0 316.405 3.803 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1ccc3occc3c1)C2 ZINC000581515628 1020894303 /nfs/dbraw/zinc/89/43/03/1020894303.db2.gz ZONAGJMBKQHNEK-UHFFFAOYSA-N 1 0 308.337 3.899 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)nc1C ZINC000414175025 1020963732 /nfs/dbraw/zinc/96/37/32/1020963732.db2.gz YTLVCAFIFVDAEZ-GOSISDBHSA-N 1 0 311.385 3.774 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000414209401 1021000256 /nfs/dbraw/zinc/00/02/56/1021000256.db2.gz MLYXLJHMLNPCMN-REBRKWNGSA-N 1 0 304.390 3.833 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC000858576040 1032951954 /nfs/dbraw/zinc/95/19/54/1032951954.db2.gz GRCHUDOHHLYXBD-YGRLFVJLSA-N 1 0 303.387 3.780 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000414326583 1021100696 /nfs/dbraw/zinc/10/06/96/1021100696.db2.gz FBJCUQRTUWCRQU-AWEZNQCLSA-N 1 0 313.401 3.927 20 5 DHBDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000776277476 1021209001 /nfs/dbraw/zinc/20/90/01/1021209001.db2.gz PYLGHFCCYMCCEU-QCSYZSNVSA-N 1 0 318.417 3.529 20 5 DHBDRO COc1c(O)ccc(C[NH2+][C@@H](C)c2ccc(C)s2)c1[N+](=O)[O-] ZINC000892669224 1021254132 /nfs/dbraw/zinc/25/41/32/1021254132.db2.gz QBNDODXTKBNZDL-JTQLQIEISA-N 1 0 322.386 3.530 20 5 DHBDRO CC[N@@H+](Cc1ccccc1C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917437502 1021261004 /nfs/dbraw/zinc/26/10/04/1021261004.db2.gz WRXCYENQTKMQNM-UHFFFAOYSA-N 1 0 324.384 3.733 20 5 DHBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000743380242 1021288074 /nfs/dbraw/zinc/28/80/74/1021288074.db2.gz XLGOCNYUECXYQB-BBRMVZONSA-N 1 0 316.405 3.803 20 5 DHBDRO Cc1c(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000170688586 1021352362 /nfs/dbraw/zinc/35/23/62/1021352362.db2.gz PLXVXXHZGURJEP-QGZVFWFLSA-N 1 0 311.385 3.590 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000194515084 1021392486 /nfs/dbraw/zinc/39/24/86/1021392486.db2.gz LZIIOFFEJBFBHM-CYBMUJFWSA-N 1 0 300.358 3.844 20 5 DHBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccncc1 ZINC000618571591 1021435030 /nfs/dbraw/zinc/43/50/30/1021435030.db2.gz RVYMOIVTJSERHP-SCLBCKFNSA-N 1 0 311.385 3.761 20 5 DHBDRO C[C@H](C[NH+]1CCCCCC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000480697433 1021462708 /nfs/dbraw/zinc/46/27/08/1021462708.db2.gz KURZHENCZGHMQX-CABCVRRESA-N 1 0 305.422 3.510 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CCO)CC(C)C ZINC000154649720 1021467340 /nfs/dbraw/zinc/46/73/40/1021467340.db2.gz HPZDPQKOQCJTQD-HUUCEWRRSA-N 1 0 308.422 3.599 20 5 DHBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000618679587 1021483851 /nfs/dbraw/zinc/48/38/51/1021483851.db2.gz VOFOSCJTMOMLFG-WFASDCNBSA-N 1 0 303.387 3.514 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C=CCC3)o2)c([N+](=O)[O-])c1 ZINC000850358710 1021485401 /nfs/dbraw/zinc/48/54/01/1021485401.db2.gz KDCPPUTUGZJYQE-GFCCVEGCSA-N 1 0 314.341 3.672 20 5 DHBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000744442065 1021546663 /nfs/dbraw/zinc/54/66/63/1021546663.db2.gz WBZHVTXCGMOFEK-WDEREUQCSA-N 1 0 321.402 3.950 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](O)c3ccccc31)CCC2 ZINC000850527175 1021580631 /nfs/dbraw/zinc/58/06/31/1021580631.db2.gz UTLRVPSRPLNIDE-CEXWTWQISA-N 1 0 324.380 3.740 20 5 DHBDRO COc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000850578154 1021618807 /nfs/dbraw/zinc/61/88/07/1021618807.db2.gz JOIPEUOEAADVOA-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CCOC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCCC1 ZINC000556234264 1021620154 /nfs/dbraw/zinc/62/01/54/1021620154.db2.gz VOGQYZRHQQMGAA-CQSZACIVSA-N 1 0 306.406 3.903 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCc2ccsc2C1 ZINC000341026410 1021720887 /nfs/dbraw/zinc/72/08/87/1021720887.db2.gz KYXMSZIIWLHDKL-UHFFFAOYSA-N 1 0 318.398 3.613 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(Cc2ccccc2)CC1 ZINC000453204664 1021804199 /nfs/dbraw/zinc/80/41/99/1021804199.db2.gz WCHSRTRJZQDJMR-OAHLLOKOSA-N 1 0 310.397 3.891 20 5 DHBDRO CCN(C)c1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746047558 1021830913 /nfs/dbraw/zinc/83/09/13/1021830913.db2.gz OWKIYNWZMBOIEM-CQSZACIVSA-N 1 0 313.401 3.902 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000893097108 1021916084 /nfs/dbraw/zinc/91/60/84/1021916084.db2.gz DXAKNBQLDLVQGF-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000556927416 1021952022 /nfs/dbraw/zinc/95/20/22/1021952022.db2.gz PFWZVDUSHFYIKW-UHFFFAOYSA-N 1 0 322.430 3.552 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1F ZINC000852084141 1022069499 /nfs/dbraw/zinc/06/94/99/1022069499.db2.gz QEPGTZLQJKCLBA-CQSZACIVSA-N 1 0 315.348 3.509 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(C3CCCC3)CC2)cc1 ZINC000776588182 1022100942 /nfs/dbraw/zinc/10/09/42/1022100942.db2.gz MDEYSNSICXKDTF-SFHVURJKSA-N 1 0 318.417 3.530 20 5 DHBDRO CCCC[NH+](CCCC)CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC001167733487 1022189438 /nfs/dbraw/zinc/18/94/38/1022189438.db2.gz XFONZOBJKNXMEH-UHFFFAOYSA-N 1 0 308.426 3.612 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C(F)(F)F ZINC001168979248 1022198030 /nfs/dbraw/zinc/19/80/30/1022198030.db2.gz XSPQUOUGRDIBQX-STQMWFEESA-N 1 0 316.323 3.549 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC001168978401 1022198082 /nfs/dbraw/zinc/19/80/82/1022198082.db2.gz RVVTXKREZITGBY-HFBAOOFYSA-N 1 0 308.809 3.826 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1C(F)(F)F ZINC001168985885 1022199555 /nfs/dbraw/zinc/19/95/55/1022199555.db2.gz VJDVHEPKSZBASX-SRVKXCTJSA-N 1 0 316.323 3.801 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1C(F)(F)F ZINC001168985883 1022200104 /nfs/dbraw/zinc/20/01/04/1022200104.db2.gz VJDVHEPKSZBASX-QJPTWQEYSA-N 1 0 316.323 3.801 20 5 DHBDRO COc1ccc(CN2CCCc3sccc3C2)cc1[N+](=O)[O-] ZINC000609322806 1022201300 /nfs/dbraw/zinc/20/13/00/1022201300.db2.gz MCZBVDCYJHXYLL-UHFFFAOYSA-N 1 0 318.398 3.613 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC001168966304 1022203610 /nfs/dbraw/zinc/20/36/10/1022203610.db2.gz HTHAYAFOQHQTNL-BXKDBHETSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cccc(Cl)c2Cl)C1 ZINC001168967487 1022203796 /nfs/dbraw/zinc/20/37/96/1022203796.db2.gz QCQGEPCJLPSRDO-PWSUYJOCSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC001168970674 1022206457 /nfs/dbraw/zinc/20/64/57/1022206457.db2.gz IEKSBKRCJBPWDR-WDEREUQCSA-N 1 0 303.189 3.528 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCCc2ccc(Cl)cc2)C1 ZINC001168998500 1022210746 /nfs/dbraw/zinc/21/07/46/1022210746.db2.gz NTWWCNVXPKSVBU-GOEBONIOSA-N 1 0 310.825 3.698 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)C1 ZINC001168988167 1022217723 /nfs/dbraw/zinc/21/77/23/1022217723.db2.gz OQXWNLUZNROVRK-HOTGVXAUSA-N 1 0 318.417 3.543 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2c3ccccc3Oc3ccccc32)C1 ZINC001168989307 1022218575 /nfs/dbraw/zinc/21/85/75/1022218575.db2.gz VVKOQKOYYWTPSS-KBPBESRZSA-N 1 0 324.380 3.917 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(CCc3ccccc3)CC2)C1 ZINC001169030419 1022219706 /nfs/dbraw/zinc/21/97/06/1022219706.db2.gz ZUGUKMRQZIDFRO-MOPGFXCFSA-N 1 0 316.445 3.777 20 5 DHBDRO C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169025295 1022228800 /nfs/dbraw/zinc/22/88/00/1022228800.db2.gz YLPBGMNUDMRFDE-JQWIXIFHSA-N 1 0 317.216 3.871 20 5 DHBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169048696 1022229036 /nfs/dbraw/zinc/22/90/36/1022229036.db2.gz AQLFKEAVWFOZLV-HZMBPMFUSA-N 1 0 317.216 3.871 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2c(F)cccc2F)C1 ZINC001169046328 1022229601 /nfs/dbraw/zinc/22/96/01/1022229601.db2.gz KNNAMVYTQGFPSI-TYNCELHUSA-N 1 0 310.344 3.547 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC001169025501 1022229636 /nfs/dbraw/zinc/22/96/36/1022229636.db2.gz JQUTUPUUFOVXSQ-WWGRRREGSA-N 1 0 308.809 3.922 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](CCc3ccccc3)C2)C1 ZINC001169057612 1022233591 /nfs/dbraw/zinc/23/35/91/1022233591.db2.gz WFVGQKAHEGNMBP-GUDVDZBRSA-N 1 0 316.445 3.777 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](CCc3ccccc3)C2)C1 ZINC001169057615 1022235599 /nfs/dbraw/zinc/23/55/99/1022235599.db2.gz WFVGQKAHEGNMBP-QRVBRYPASA-N 1 0 316.445 3.777 20 5 DHBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169144963 1022274165 /nfs/dbraw/zinc/27/41/65/1022274165.db2.gz BMVFAKJZDPRNIR-PXAZEXFGSA-N 1 0 323.412 3.998 20 5 DHBDRO C[C@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c2ccccc21 ZINC001169381819 1022379987 /nfs/dbraw/zinc/37/99/87/1022379987.db2.gz TXRBYKZHCVRUJU-ZBEGNZNMSA-N 1 0 309.369 3.858 20 5 DHBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000610133479 1022424229 /nfs/dbraw/zinc/42/42/29/1022424229.db2.gz RVOBAAVCRNJNHL-USXIJHARSA-N 1 0 318.417 3.620 20 5 DHBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nc(C)ccc1[N+](=O)[O-] ZINC001169695075 1022504527 /nfs/dbraw/zinc/50/45/27/1022504527.db2.gz DYDJVFPXRVTWMU-CQSZACIVSA-N 1 0 312.373 3.538 20 5 DHBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc([N+](=O)[O-])c(C)cn1 ZINC001169696156 1022506244 /nfs/dbraw/zinc/50/62/44/1022506244.db2.gz JSNMJZWSISRZKM-CQSZACIVSA-N 1 0 312.373 3.538 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3cccc(F)c3)CC2)cc1 ZINC000179697496 1022510169 /nfs/dbraw/zinc/51/01/69/1022510169.db2.gz PCPVUUSJYITYPK-UHFFFAOYSA-N 1 0 300.333 3.555 20 5 DHBDRO CC(C)(C)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001169723755 1022520125 /nfs/dbraw/zinc/52/01/25/1022520125.db2.gz GXRRGUAXVHLYLR-CQSZACIVSA-N 1 0 306.406 3.732 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000509436467 1022558628 /nfs/dbraw/zinc/55/86/28/1022558628.db2.gz CCXQFZOPLHMLOR-ZGRWHYIRSA-N 1 0 324.380 3.591 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1cccs1 ZINC000417309561 1022675769 /nfs/dbraw/zinc/67/57/69/1022675769.db2.gz IWRXNGXCPPKSSC-UHOFOFEASA-N 1 0 316.426 3.981 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccncc1)CCCC2 ZINC000417309632 1022676705 /nfs/dbraw/zinc/67/67/05/1022676705.db2.gz JASYDVORQBDYHT-SFHVURJKSA-N 1 0 311.385 3.590 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1nccs1)CCCC2 ZINC000417346248 1022695875 /nfs/dbraw/zinc/69/58/75/1022695875.db2.gz VOZQIYSOQLHOJL-AWEZNQCLSA-N 1 0 303.387 3.609 20 5 DHBDRO C[C@H]([NH2+][C@H](CO)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000417372403 1022712454 /nfs/dbraw/zinc/71/24/54/1022712454.db2.gz VZHKXDSNGNVSKJ-BBRMVZONSA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1noc3ccccc13)CCC2 ZINC000566475897 1022722075 /nfs/dbraw/zinc/72/20/75/1022722075.db2.gz QSXSHNPHJPOSLE-INIZCTEOSA-N 1 0 323.352 3.903 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000068836924 1022768283 /nfs/dbraw/zinc/76/82/83/1022768283.db2.gz DJOYLPZSBUOPCW-INIZCTEOSA-N 1 0 319.792 3.963 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2cccs2)C2CC2)c1 ZINC000768544902 1022992648 /nfs/dbraw/zinc/99/26/48/1022992648.db2.gz TZJQUZBDGWEFNF-UHFFFAOYSA-N 1 0 302.399 3.863 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)ccc1Cl ZINC000768548927 1022994660 /nfs/dbraw/zinc/99/46/60/1022994660.db2.gz LEKISLPVMWBQHR-MRXNPFEDSA-N 1 0 324.808 3.641 20 5 DHBDRO Cc1c(NCCC[N@H+]2CCCC[C@@H]2C)cc(F)cc1[N+](=O)[O-] ZINC001167750782 1023022298 /nfs/dbraw/zinc/02/22/98/1023022298.db2.gz CDZGNRSJLIUSPR-LBPRGKRZSA-N 1 0 309.385 3.719 20 5 DHBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000236870447 1023132678 /nfs/dbraw/zinc/13/26/78/1023132678.db2.gz ANQDOVBIDIWUJC-CXAGYDPISA-N 1 0 308.422 3.605 20 5 DHBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000769446252 1023154212 /nfs/dbraw/zinc/15/42/12/1023154212.db2.gz LHRLRIBXBAYTPF-GFCCVEGCSA-N 1 0 318.398 3.544 20 5 DHBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769471260 1023160639 /nfs/dbraw/zinc/16/06/39/1023160639.db2.gz RNMAZLFRYQOEAJ-ZJUUUORDSA-N 1 0 313.195 3.588 20 5 DHBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC000769569803 1023182146 /nfs/dbraw/zinc/18/21/46/1023182146.db2.gz VYJMIIAJEDCPQC-OAHLLOKOSA-N 1 0 320.436 3.807 20 5 DHBDRO Cc1ncc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000278841867 1023471782 /nfs/dbraw/zinc/47/17/82/1023471782.db2.gz UWYNNYZVCWPFKY-HNNXBMFYSA-N 1 0 303.387 3.527 20 5 DHBDRO C[C@@H]1C[C@H]1c1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000538728393 1033149997 /nfs/dbraw/zinc/14/99/97/1033149997.db2.gz QTGIECBFWPIHDZ-MLGOLLRUSA-N 1 0 312.369 3.870 20 5 DHBDRO CS[C@@H]1CC[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000786812598 1023731396 /nfs/dbraw/zinc/73/13/96/1023731396.db2.gz IBBXLFVFFHLFDU-IIUKIDADSA-N 1 0 306.431 3.872 20 5 DHBDRO CCC[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000112377016 1023803968 /nfs/dbraw/zinc/80/39/68/1023803968.db2.gz HTNFQBIAUVONMS-LBPRGKRZSA-N 1 0 320.414 3.574 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1F ZINC000788487020 1023894015 /nfs/dbraw/zinc/89/40/15/1023894015.db2.gz BCFCSAIJRVFGET-HUUCEWRRSA-N 1 0 310.394 3.594 20 5 DHBDRO C[C@@H]1CC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000249047948 1023917291 /nfs/dbraw/zinc/91/72/91/1023917291.db2.gz WSKLLOWXUWFWNC-QFSBIZTOSA-N 1 0 304.390 3.518 20 5 DHBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC2 ZINC000788640585 1023917380 /nfs/dbraw/zinc/91/73/80/1023917380.db2.gz SULRRRGTSJQFRG-PXAZEXFGSA-N 1 0 311.385 3.824 20 5 DHBDRO C[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788707548 1023924335 /nfs/dbraw/zinc/92/43/35/1023924335.db2.gz ZHKIIDPHVMUFRL-CYBMUJFWSA-N 1 0 311.385 3.907 20 5 DHBDRO CSCCCCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788739746 1023933069 /nfs/dbraw/zinc/93/30/69/1023933069.db2.gz OIMNVHGDHODFEC-LBPRGKRZSA-N 1 0 311.451 3.751 20 5 DHBDRO C[C@H]([NH2+]CC1CCC(F)(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788823883 1023941944 /nfs/dbraw/zinc/94/19/44/1023941944.db2.gz RCGHRYWBJSCPGI-JTQLQIEISA-N 1 0 313.348 3.653 20 5 DHBDRO Cc1c([C@@H](C)NC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000268975039 1024206084 /nfs/dbraw/zinc/20/60/84/1024206084.db2.gz GOBSOEZQJGPABY-CQSZACIVSA-N 1 0 317.433 3.571 20 5 DHBDRO COc1ccc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000531676874 1024266491 /nfs/dbraw/zinc/26/64/91/1024266491.db2.gz FAOOFJVOXADCNN-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCn1cnc2ccccc21 ZINC000531697698 1024273267 /nfs/dbraw/zinc/27/32/67/1024273267.db2.gz QGOKUZBYTHDEEG-CQSZACIVSA-N 1 0 324.384 3.604 20 5 DHBDRO CCCC1CCC([N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000790476949 1024307841 /nfs/dbraw/zinc/30/78/41/1024307841.db2.gz GZVWBYCIYYDVJX-UHFFFAOYSA-N 1 0 308.426 3.656 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CSCc3ccccc32)c1 ZINC000051634407 1024314113 /nfs/dbraw/zinc/31/41/13/1024314113.db2.gz DAARPGUSYDTPMG-INIZCTEOSA-N 1 0 300.383 3.673 20 5 DHBDRO CCC[C@@H]([NH2+]CCc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000883248972 1024319280 /nfs/dbraw/zinc/31/92/80/1024319280.db2.gz NTVMZBQVVRKSEB-OAHLLOKOSA-N 1 0 305.403 3.725 20 5 DHBDRO C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000165596067 1024348488 /nfs/dbraw/zinc/34/84/88/1024348488.db2.gz RZVSVJMFFIOSDC-CQSZACIVSA-N 1 0 306.406 3.578 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@H]1CCCOC1 ZINC000883351807 1024398168 /nfs/dbraw/zinc/39/81/68/1024398168.db2.gz MMQMGIFJHPAGMQ-DZKIICNBSA-N 1 0 306.406 3.759 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883363722 1024404203 /nfs/dbraw/zinc/40/42/03/1024404203.db2.gz LNWFMXSZCKVOQT-IDKBZEPQSA-N 1 0 316.401 3.689 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000453224624 1024412147 /nfs/dbraw/zinc/41/21/47/1024412147.db2.gz UAUDSXLUVZYBOW-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000453305691 1024452504 /nfs/dbraw/zinc/45/25/04/1024452504.db2.gz ACHMMXCMQHVXBH-HUUCEWRRSA-N 1 0 318.417 3.903 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000453309915 1024456681 /nfs/dbraw/zinc/45/66/81/1024456681.db2.gz FCANKWHRSURZQD-GJZGRUSLSA-N 1 0 318.417 3.903 20 5 DHBDRO CCC[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453353452 1024478078 /nfs/dbraw/zinc/47/80/78/1024478078.db2.gz HXTGUJQWPTWRLS-QZTJIDSGSA-N 1 0 318.417 3.939 20 5 DHBDRO C[NH+](C)[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000791409850 1024492624 /nfs/dbraw/zinc/49/26/24/1024492624.db2.gz UWKBNJGBDYBJLY-CYBMUJFWSA-N 1 0 309.753 3.556 20 5 DHBDRO CC[C@H]([NH2+]CC1(CO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000317338971 1024527545 /nfs/dbraw/zinc/52/75/45/1024527545.db2.gz QHKQNTILVIVWPN-INIZCTEOSA-N 1 0 306.406 3.578 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cn[nH]c1 ZINC000271515702 1024528959 /nfs/dbraw/zinc/52/89/59/1024528959.db2.gz NSCYMDVEXMSXFC-AAEUAGOBSA-N 1 0 320.418 3.539 20 5 DHBDRO CC[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000271542505 1024534796 /nfs/dbraw/zinc/53/47/96/1024534796.db2.gz SVVCTRWSTANQJS-GOEBONIOSA-N 1 0 304.390 3.737 20 5 DHBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)O1 ZINC000453634398 1024557529 /nfs/dbraw/zinc/55/75/29/1024557529.db2.gz SHKMNHIKKQLVPI-WFASDCNBSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N1CCCC[C@H]1C ZINC000532192719 1024572070 /nfs/dbraw/zinc/57/20/70/1024572070.db2.gz DWFDZRPKVVNCGZ-PMPSAXMXSA-N 1 0 319.449 3.817 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOC1CCC1 ZINC000777120386 1033222157 /nfs/dbraw/zinc/22/21/57/1033222157.db2.gz HLWXGRDPDAQDFI-ZDUSSCGKSA-N 1 0 324.446 3.624 20 5 DHBDRO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000106877011 1024607386 /nfs/dbraw/zinc/60/73/86/1024607386.db2.gz XEYTXZHDBZJUKC-NSHDSACASA-N 1 0 305.403 3.861 20 5 DHBDRO Cc1noc(C)c1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278975182 1024653532 /nfs/dbraw/zinc/65/35/32/1024653532.db2.gz CNDJTRUEOMZLSV-INIZCTEOSA-N 1 0 315.373 3.712 20 5 DHBDRO CCC[C@H]([NH2+][C@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000349344245 1024706262 /nfs/dbraw/zinc/70/62/62/1024706262.db2.gz RFDWCQFKINPMAE-JKSUJKDBSA-N 1 0 320.414 3.821 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CCCCC2)c([N+](=O)[O-])c1 ZINC001170295843 1024727063 /nfs/dbraw/zinc/72/70/63/1024727063.db2.gz WGDKWZPBNJDBPZ-CYBMUJFWSA-N 1 0 306.406 3.704 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]C2(C)CCCCC2)c([N+](=O)[O-])c1 ZINC001170294501 1024728019 /nfs/dbraw/zinc/72/80/19/1024728019.db2.gz AGTRQVAZRORSEV-CYBMUJFWSA-N 1 0 306.406 3.847 20 5 DHBDRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170305566 1024732192 /nfs/dbraw/zinc/73/21/92/1024732192.db2.gz NGHJLOHOLDMLGR-IHRRRGAJSA-N 1 0 308.422 3.949 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329879 1024745768 /nfs/dbraw/zinc/74/57/68/1024745768.db2.gz WHEAEZIAJHVJMC-MCIONIFRSA-N 1 0 306.406 3.797 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@](C)(F)CC2)c([N+](=O)[O-])c1 ZINC001170330051 1024747009 /nfs/dbraw/zinc/74/70/09/1024747009.db2.gz XGVXQWNYIJANST-SUMWQHHRSA-N 1 0 324.396 3.749 20 5 DHBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170329758 1024747470 /nfs/dbraw/zinc/74/74/70/1024747470.db2.gz TWEPMFWFLWKKCW-CWRNSKLLSA-N 1 0 318.417 3.656 20 5 DHBDRO CC[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352787 1024748916 /nfs/dbraw/zinc/74/89/16/1024748916.db2.gz QGXPRGNHOOCBNH-DZGCQCFKSA-N 1 0 306.406 3.799 20 5 DHBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCCCC1 ZINC001170342534 1024757327 /nfs/dbraw/zinc/75/73/27/1024757327.db2.gz OVRSZHQAVQVROK-CQSZACIVSA-N 1 0 319.405 3.578 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170341248 1024757507 /nfs/dbraw/zinc/75/75/07/1024757507.db2.gz HMXRWBNEBKFGBN-UONOGXRCSA-N 1 0 306.406 3.799 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](C2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000792861344 1024809162 /nfs/dbraw/zinc/80/91/62/1024809162.db2.gz BTXVOIBBBUKMFM-UHFFFAOYSA-N 1 0 319.361 3.800 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H](O)C(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000320173370 1025026351 /nfs/dbraw/zinc/02/63/51/1025026351.db2.gz JXZNXRTUTWZSFY-DLBZAZTESA-N 1 0 308.422 3.823 20 5 DHBDRO CC(C)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000539055152 1033260268 /nfs/dbraw/zinc/26/02/68/1033260268.db2.gz XICBYBOMWWTWMD-INIZCTEOSA-N 1 0 302.418 3.942 20 5 DHBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000279732533 1025203043 /nfs/dbraw/zinc/20/30/43/1025203043.db2.gz NQLHNOBDRHSDST-KSSFIOAISA-N 1 0 314.385 3.503 20 5 DHBDRO CCC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000279733727 1025203780 /nfs/dbraw/zinc/20/37/80/1025203780.db2.gz WIWXFCVBVKTCGQ-HOCLYGCPSA-N 1 0 320.414 3.648 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCOc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000539091293 1033270725 /nfs/dbraw/zinc/27/07/25/1033270725.db2.gz LXWCFZLFTCMGLD-ZDUSSCGKSA-N 1 0 318.348 3.772 20 5 DHBDRO Cc1ccccc1OCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539089760 1033270928 /nfs/dbraw/zinc/27/09/28/1033270928.db2.gz GQNMSWFYHUKDKI-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(O)cc1)CC1CC1 ZINC000354121972 1025362163 /nfs/dbraw/zinc/36/21/63/1025362163.db2.gz HBMRAQFQDFWUJN-UHFFFAOYSA-N 1 0 312.369 3.713 20 5 DHBDRO C[C@@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000897459879 1025363031 /nfs/dbraw/zinc/36/30/31/1025363031.db2.gz PCWPCXPRCXXUGO-GJZGRUSLSA-N 1 0 318.417 3.780 20 5 DHBDRO COC1(C[C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000897465673 1025367946 /nfs/dbraw/zinc/36/79/46/1025367946.db2.gz ZKTXTBXZNVZHOU-KBPBESRZSA-N 1 0 306.406 3.636 20 5 DHBDRO C[C@H](C[NH2+]Cc1cnc(C2CC2)s1)c1ccccc1[N+](=O)[O-] ZINC000897466289 1025370883 /nfs/dbraw/zinc/37/08/83/1025370883.db2.gz QVNNXJKJXGRFRH-LLVKDONJSA-N 1 0 317.414 3.822 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000877316276 1033280480 /nfs/dbraw/zinc/28/04/80/1033280480.db2.gz QZRVRBYSWMLPGN-LBPRGKRZSA-N 1 0 319.430 3.904 20 5 DHBDRO CC(C)[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000886046569 1025449665 /nfs/dbraw/zinc/44/96/65/1025449665.db2.gz JBOAUWHNVNKLMF-HNNXBMFYSA-N 1 0 303.337 3.616 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000090217423 1025452293 /nfs/dbraw/zinc/45/22/93/1025452293.db2.gz VNFBZKSGLNBVRI-NWDGAFQWSA-N 1 0 314.389 3.722 20 5 DHBDRO Cc1cc([C@H]([NH2+]Cc2cccnc2[N+](=O)[O-])C2CC2)ccc1F ZINC000886116162 1025513896 /nfs/dbraw/zinc/51/38/96/1025513896.db2.gz BOOHLKPYDATYHM-MRXNPFEDSA-N 1 0 315.348 3.678 20 5 DHBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000886242930 1025570115 /nfs/dbraw/zinc/57/01/15/1025570115.db2.gz JFHBCQPONVHVNI-IAGOWNOFSA-N 1 0 311.385 3.758 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@H]3CCCO3)o2)c1 ZINC000886315734 1025588623 /nfs/dbraw/zinc/58/86/23/1025588623.db2.gz ZJGJYNSZIPGMFJ-OAHLLOKOSA-N 1 0 316.357 3.514 20 5 DHBDRO C[C@H](NCCC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000322117200 1025732179 /nfs/dbraw/zinc/73/21/79/1025732179.db2.gz QJDLFTWXUBZWOS-HNNXBMFYSA-N 1 0 319.449 3.900 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCc2nc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000806134843 1025779239 /nfs/dbraw/zinc/77/92/39/1025779239.db2.gz OOOPIIGJVBYLMO-QMTHXVAHSA-N 1 0 317.776 3.981 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC3(CCC3)CO2)cccc1[N+](=O)[O-] ZINC000886700503 1025811739 /nfs/dbraw/zinc/81/17/39/1025811739.db2.gz ATLWHEMQPIUVCJ-KBPBESRZSA-N 1 0 304.390 3.513 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000075996694 1025857228 /nfs/dbraw/zinc/85/72/28/1025857228.db2.gz DOVDKMBSICTOGM-SNVBAGLBSA-N 1 0 302.296 3.930 20 5 DHBDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000886773907 1025890343 /nfs/dbraw/zinc/89/03/43/1025890343.db2.gz DIFTZPVIWLYMIT-PBHICJAKSA-N 1 0 318.417 3.985 20 5 DHBDRO COC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000089668781 1026061821 /nfs/dbraw/zinc/06/18/21/1026061821.db2.gz RWPFGZCKISRIDB-DYVFJYSZSA-N 1 0 300.358 3.633 20 5 DHBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000089668036 1026062723 /nfs/dbraw/zinc/06/27/23/1026062723.db2.gz RTAOXVRCMQJLPI-PBHICJAKSA-N 1 0 314.385 3.942 20 5 DHBDRO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)[C@H]1C ZINC000419367600 1026274344 /nfs/dbraw/zinc/27/43/44/1026274344.db2.gz DHIBKNAFUPOZDT-AGIUHOORSA-N 1 0 315.373 3.726 20 5 DHBDRO C[C@@H]([NH2+]CCCOC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000120596448 1026330851 /nfs/dbraw/zinc/33/08/51/1026330851.db2.gz FXTBTHYZPJAEIT-CQSZACIVSA-N 1 0 306.406 3.985 20 5 DHBDRO C[C@H]([NH2+]CCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000182390775 1026505572 /nfs/dbraw/zinc/50/55/72/1026505572.db2.gz AUXSUPRVCAGIPL-HNNXBMFYSA-N 1 0 314.385 3.852 20 5 DHBDRO C[N@H+](Cc1ccc(O)cc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809753835 1026616251 /nfs/dbraw/zinc/61/62/51/1026616251.db2.gz SFRHSBNTUTYPTP-UHFFFAOYSA-N 1 0 306.749 3.586 20 5 DHBDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000513698371 1026668449 /nfs/dbraw/zinc/66/84/49/1026668449.db2.gz ZWBOWCGBOKJWLS-GFCCVEGCSA-N 1 0 320.339 3.984 20 5 DHBDRO COC1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000419778034 1026763509 /nfs/dbraw/zinc/76/35/09/1026763509.db2.gz KYMHSQWEIQFYMY-JLHYYAGUSA-N 1 0 304.390 3.545 20 5 DHBDRO CCc1noc(C)c1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000293725759 1026849333 /nfs/dbraw/zinc/84/93/33/1026849333.db2.gz OAFLYPYQMLPTFN-GFCCVEGCSA-N 1 0 317.389 3.565 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)nc(C)c1 ZINC000421382355 1026974011 /nfs/dbraw/zinc/97/40/11/1026974011.db2.gz NCKYQOAGCKMXOK-NTUHNPAUSA-N 1 0 311.385 3.800 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCSC1 ZINC000811484185 1027008839 /nfs/dbraw/zinc/00/88/39/1027008839.db2.gz WNGUMNMWDODHBH-JTQLQIEISA-N 1 0 321.229 3.887 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000811493058 1027012344 /nfs/dbraw/zinc/01/23/44/1027012344.db2.gz FXIQZYYEDKLRMU-LLVKDONJSA-N 1 0 317.172 3.684 20 5 DHBDRO COC[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237240254 1027022340 /nfs/dbraw/zinc/02/23/40/1027022340.db2.gz OHEXNRZJXDVEDY-JTQLQIEISA-N 1 0 324.764 3.633 20 5 DHBDRO Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000811812180 1027091191 /nfs/dbraw/zinc/09/11/91/1027091191.db2.gz OFERYRMZHDYSHT-GHMZBOCLSA-N 1 0 309.797 3.594 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355754141 1027105787 /nfs/dbraw/zinc/10/57/87/1027105787.db2.gz ZODQNVVMCJWPQQ-PBHICJAKSA-N 1 0 304.390 3.548 20 5 DHBDRO CSc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000231883582 1027136823 /nfs/dbraw/zinc/13/68/23/1027136823.db2.gz ILHOMZMIHZTSTD-UHFFFAOYSA-N 1 0 302.399 3.915 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000571962471 1027160757 /nfs/dbraw/zinc/16/07/57/1027160757.db2.gz MMYFBYLQJFSPFD-AWEZNQCLSA-N 1 0 309.369 3.840 20 5 DHBDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000572425976 1027199593 /nfs/dbraw/zinc/19/95/93/1027199593.db2.gz MLPOQRIDNMTGCM-GFCCVEGCSA-N 1 0 316.405 3.872 20 5 DHBDRO CCc1nc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000157097561 1027229469 /nfs/dbraw/zinc/22/94/69/1027229469.db2.gz CQSNHJVWCLXIJB-LBPRGKRZSA-N 1 0 319.430 3.815 20 5 DHBDRO CC[NH2+]CCN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423235779 1027456656 /nfs/dbraw/zinc/45/66/56/1027456656.db2.gz BDWHAZUCVTVNDA-LBPRGKRZSA-N 1 0 319.430 3.583 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000575748835 1027495757 /nfs/dbraw/zinc/49/57/57/1027495757.db2.gz OHLYIOBOJURSMK-UBHSHLNASA-N 1 0 310.369 3.925 20 5 DHBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000296076724 1027534403 /nfs/dbraw/zinc/53/44/03/1027534403.db2.gz XAFZZWRJBJSLJI-STQMWFEESA-N 1 0 302.378 3.531 20 5 DHBDRO CC[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000562906072 1027657412 /nfs/dbraw/zinc/65/74/12/1027657412.db2.gz AFQPPRVSLZZEII-GFCCVEGCSA-N 1 0 320.414 3.838 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000577070488 1027701550 /nfs/dbraw/zinc/70/15/50/1027701550.db2.gz PGRXDKBUEMVKHI-CYBMUJFWSA-N 1 0 311.385 3.638 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000601135210 1027999423 /nfs/dbraw/zinc/99/94/23/1027999423.db2.gz BXDXPKSCEBGVSB-ULXYLZTKSA-N 1 0 324.380 3.728 20 5 DHBDRO CCC1([NH+]2CCCC2)CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000601217951 1028029734 /nfs/dbraw/zinc/02/97/34/1028029734.db2.gz QEZCXXQNOWSHOZ-UHFFFAOYSA-N 1 0 309.435 3.501 20 5 DHBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Oc1ccccc1 ZINC000578083234 1028044035 /nfs/dbraw/zinc/04/40/35/1028044035.db2.gz PWQLNOFVBFPJLV-SUMWQHHRSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000578466532 1028158460 /nfs/dbraw/zinc/15/84/60/1028158460.db2.gz HMFWWCCNGXQIAN-ZDUSSCGKSA-N 1 0 309.369 3.969 20 5 DHBDRO Cc1cccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000367293298 1028160166 /nfs/dbraw/zinc/16/01/66/1028160166.db2.gz YSURSJVJTDZGAJ-KRWDZBQOSA-N 1 0 315.348 3.774 20 5 DHBDRO C[NH+](C)Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000578572855 1028183141 /nfs/dbraw/zinc/18/31/41/1028183141.db2.gz VIPKIHGNUXTKEF-UHFFFAOYSA-N 1 0 319.792 3.922 20 5 DHBDRO Cc1cnccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000578953670 1028286367 /nfs/dbraw/zinc/28/63/67/1028286367.db2.gz OINYDNXQNFDNEX-KRWDZBQOSA-N 1 0 311.385 3.678 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1c[nH]c2ccccc12 ZINC000449065686 1028304209 /nfs/dbraw/zinc/30/42/09/1028304209.db2.gz VOJSUXVMIPWJJO-CQSZACIVSA-N 1 0 323.396 3.839 20 5 DHBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449092765 1028365914 /nfs/dbraw/zinc/36/59/14/1028365914.db2.gz UFVQUBUPSHBTFI-KBPBESRZSA-N 1 0 314.385 3.885 20 5 DHBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449173943 1028414921 /nfs/dbraw/zinc/41/49/21/1028414921.db2.gz OORYPWMCKJDRIB-HFTRVMKXSA-N 1 0 320.433 3.567 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccnn2C2CCCC2)cccc1[N+](=O)[O-] ZINC000449277817 1028504159 /nfs/dbraw/zinc/50/41/59/1028504159.db2.gz GSOGJEOPZSELIG-UHFFFAOYSA-N 1 0 314.389 3.505 20 5 DHBDRO CC[C@@H](c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369698192 1028517608 /nfs/dbraw/zinc/51/76/08/1028517608.db2.gz UULKRZJXDBSJMG-INIZCTEOSA-N 1 0 314.389 3.580 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000449319288 1028549201 /nfs/dbraw/zinc/54/92/01/1028549201.db2.gz JJWHKZAFXOHQJX-QWHCGFSZSA-N 1 0 324.384 3.753 20 5 DHBDRO Cc1cc(F)ccc1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815587876 1028559261 /nfs/dbraw/zinc/55/92/61/1028559261.db2.gz WNMBEEDDERDKBU-GFCCVEGCSA-N 1 0 317.364 3.518 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000370167109 1028573233 /nfs/dbraw/zinc/57/32/33/1028573233.db2.gz JJUOIXFECBBWAG-UGSOOPFHSA-N 1 0 312.369 3.559 20 5 DHBDRO CS[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000449447381 1028651387 /nfs/dbraw/zinc/65/13/87/1028651387.db2.gz YKIOHUKDPWXFPJ-OAHLLOKOSA-N 1 0 318.398 3.792 20 5 DHBDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000566002542 1028666153 /nfs/dbraw/zinc/66/61/53/1028666153.db2.gz QNGHAHARPLBBHP-HNNXBMFYSA-N 1 0 308.422 3.557 20 5 DHBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492137 1028687423 /nfs/dbraw/zinc/68/74/23/1028687423.db2.gz IOFVRKLUMTYNRU-KBXCAEBGSA-N 1 0 320.433 3.965 20 5 DHBDRO COc1cc(C[NH2+]CC(C)(C)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000449487528 1028697292 /nfs/dbraw/zinc/69/72/92/1028697292.db2.gz YVRXKYOMZAEGLJ-UHFFFAOYSA-N 1 0 322.405 3.528 20 5 DHBDRO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCO1 ZINC000449498901 1028713694 /nfs/dbraw/zinc/71/36/94/1028713694.db2.gz LKGWUYYGIUIHBI-BFYDXBDKSA-N 1 0 318.417 3.589 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000371681875 1028744073 /nfs/dbraw/zinc/74/40/73/1028744073.db2.gz UJDNRNUTTQJMRC-NJELEJDNSA-N 1 0 323.396 3.568 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2O ZINC000567061512 1028826887 /nfs/dbraw/zinc/82/68/87/1028826887.db2.gz YQUIUIPZWKCHHF-JKSUJKDBSA-N 1 0 310.353 3.565 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000568468266 1029076571 /nfs/dbraw/zinc/07/65/71/1029076571.db2.gz LTFLNZRXWAOHOW-GDBMZVCRSA-N 1 0 311.385 3.849 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccccc2OC(F)F)c1 ZINC000190881733 1029189163 /nfs/dbraw/zinc/18/91/63/1029189163.db2.gz HQQQBSJORHFCEW-UHFFFAOYSA-N 1 0 322.311 3.529 20 5 DHBDRO Cc1cnc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000374231265 1029246608 /nfs/dbraw/zinc/24/66/08/1029246608.db2.gz VGHIXKLONUKQBH-CQSZACIVSA-N 1 0 317.414 3.739 20 5 DHBDRO Cc1ccncc1CCC[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000570319311 1029350088 /nfs/dbraw/zinc/35/00/88/1029350088.db2.gz QROZNYBDHQCVKG-UHFFFAOYSA-N 1 0 313.401 3.756 20 5 DHBDRO Cc1nc2cc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000570384988 1029361543 /nfs/dbraw/zinc/36/15/43/1029361543.db2.gz JBALHHREQPEKFX-SNVBAGLBSA-N 1 0 324.340 3.522 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cccc1[N+](=O)[O-] ZINC000374579086 1029394031 /nfs/dbraw/zinc/39/40/31/1029394031.db2.gz WWONQMJNZQVXET-JFOHDYCDSA-N 1 0 318.417 3.757 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000570783237 1029418283 /nfs/dbraw/zinc/41/82/83/1029418283.db2.gz AOYPBFCNWKHPJX-GFCCVEGCSA-N 1 0 311.813 3.699 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cccc(F)c1 ZINC000570864230 1029432652 /nfs/dbraw/zinc/43/26/52/1029432652.db2.gz SGBGRCQIHMQFSK-INIZCTEOSA-N 1 0 300.333 3.554 20 5 DHBDRO O=[N+]([O-])c1ccc(Nc2cccc3c2CC[NH2+]C3)c(Cl)c1 ZINC000168356456 1029443868 /nfs/dbraw/zinc/44/38/68/1029443868.db2.gz JOMQUDDYUVWEQX-UHFFFAOYSA-N 1 0 303.749 3.638 20 5 DHBDRO CC(C)c1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819241702 1029508858 /nfs/dbraw/zinc/50/88/58/1029508858.db2.gz UHGGAWXNJDAVFJ-GOSISDBHSA-N 1 0 314.385 3.541 20 5 DHBDRO C[C@H](CC1CCCCC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819269183 1029526607 /nfs/dbraw/zinc/52/66/07/1029526607.db2.gz DNFPDOGXSHLQLT-DYVFJYSZSA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000821331861 1029826600 /nfs/dbraw/zinc/82/66/00/1029826600.db2.gz GJVYOSTYFOPGOP-ZDUSSCGKSA-N 1 0 315.348 3.509 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CCC(C)(C)C ZINC000530425057 1029843420 /nfs/dbraw/zinc/84/34/20/1029843420.db2.gz ZNRNXNZTPDWIPH-UONOGXRCSA-N 1 0 308.422 3.741 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451429045 1029869175 /nfs/dbraw/zinc/86/91/75/1029869175.db2.gz YRIDMKWKCPQNSC-PLYYQAHHSA-N 1 0 318.417 3.590 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000451477126 1029878987 /nfs/dbraw/zinc/87/89/87/1029878987.db2.gz HEWATUIZSRSGED-COLVAYQJSA-N 1 0 324.808 3.541 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCC3CCOCC3)C2)cc1 ZINC000451554104 1029917055 /nfs/dbraw/zinc/91/70/55/1029917055.db2.gz ZGCNJWITCWHLDU-QGZVFWFLSA-N 1 0 318.417 3.591 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(C(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000865581961 1029925585 /nfs/dbraw/zinc/92/55/85/1029925585.db2.gz URRRKPDKTZNWNR-JTQLQIEISA-N 1 0 307.300 3.778 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CCN(c1cc[nH+]cc1C(F)(F)F)C2 ZINC000865644256 1029957870 /nfs/dbraw/zinc/95/78/70/1029957870.db2.gz MSYVEZIEFSPIRR-UHFFFAOYSA-N 1 0 323.274 3.571 20 5 DHBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000467862623 1029975194 /nfs/dbraw/zinc/97/51/94/1029975194.db2.gz IMYGWUYODDCMDA-STQMWFEESA-N 1 0 318.348 3.852 20 5 DHBDRO CCC(CC)(CCO)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468747613 1029984617 /nfs/dbraw/zinc/98/46/17/1029984617.db2.gz XYSBAPDSUGDLPD-RVDMUPIBSA-N 1 0 320.433 3.777 20 5 DHBDRO C[C@@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCOC1 ZINC000357345210 1030007104 /nfs/dbraw/zinc/00/71/04/1030007104.db2.gz NRSTWMLBAMECOL-QGZVFWFLSA-N 1 0 316.357 3.514 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)c(Cl)c1 ZINC000865762090 1030011711 /nfs/dbraw/zinc/01/17/11/1030011711.db2.gz LGFROJWXDMLDDA-BBRMVZONSA-N 1 0 324.808 3.543 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCC23CCOCC3)c1 ZINC000865778030 1030018679 /nfs/dbraw/zinc/01/86/79/1030018679.db2.gz FLXBQQUQQZXRTI-CYBMUJFWSA-N 1 0 324.808 3.545 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000865781450 1030022076 /nfs/dbraw/zinc/02/20/76/1030022076.db2.gz AFPPGOVRMJEAPM-WCQYABFASA-N 1 0 314.307 3.829 20 5 DHBDRO C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000822827652 1030138466 /nfs/dbraw/zinc/13/84/66/1030138466.db2.gz RVHBIBDCHGQMDW-ZJUUUORDSA-N 1 0 303.189 3.829 20 5 DHBDRO Cc1csc([C@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866256780 1030182577 /nfs/dbraw/zinc/18/25/77/1030182577.db2.gz POQRJFFLLOIHRP-KOLCDFICSA-N 1 0 323.393 3.781 20 5 DHBDRO CC(C)c1cc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])on1 ZINC000866267665 1030190150 /nfs/dbraw/zinc/19/01/50/1030190150.db2.gz PSSPELQXEJAZNO-LLVKDONJSA-N 1 0 321.352 3.566 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCC(F)(F)C1 ZINC000866307356 1030216311 /nfs/dbraw/zinc/21/63/11/1030216311.db2.gz YWXYJUURMCJVPU-GWCFXTLKSA-N 1 0 316.323 3.832 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1CC(F)(F)C1 ZINC000866370393 1030261625 /nfs/dbraw/zinc/26/16/25/1030261625.db2.gz VOHSUAIQGGUIMF-JTQLQIEISA-N 1 0 316.323 3.690 20 5 DHBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@]1(C)CC1(F)F ZINC000866390800 1030273043 /nfs/dbraw/zinc/27/30/43/1030273043.db2.gz TTYAXMJGZFZLII-QMTHXVAHSA-N 1 0 316.323 3.690 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000866394600 1030274478 /nfs/dbraw/zinc/27/44/78/1030274478.db2.gz WNVFCHJDMMWCQL-ZANVPECISA-N 1 0 316.323 3.546 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(F)c1)CCCC2 ZINC000866475375 1030313048 /nfs/dbraw/zinc/31/30/48/1030313048.db2.gz XOEVJJMMRVQJPK-INIZCTEOSA-N 1 0 315.348 3.686 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000866527572 1030345204 /nfs/dbraw/zinc/34/52/04/1030345204.db2.gz KLSLILBBZPPLQG-RDJZCZTQSA-N 1 0 318.417 3.842 20 5 DHBDRO C[C@@H]([NH2+]CCSCCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000866542301 1030362305 /nfs/dbraw/zinc/36/23/05/1030362305.db2.gz XTBZRAFIYPIMRX-SNVBAGLBSA-N 1 0 322.352 3.931 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866581964 1030386972 /nfs/dbraw/zinc/38/69/72/1030386972.db2.gz FSVRMSWERXEPSO-MELADBBJSA-N 1 0 306.431 3.649 20 5 DHBDRO CCCC[N@H+](C)CC1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000533546919 1030420734 /nfs/dbraw/zinc/42/07/34/1030420734.db2.gz VWLLGGRUGFEUGG-UHFFFAOYSA-N 1 0 319.449 3.852 20 5 DHBDRO C[C@H]([NH2+]CCSCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358308979 1030432342 /nfs/dbraw/zinc/43/23/42/1030432342.db2.gz SXFOJEFPSWHXRN-VIFPVBQESA-N 1 0 308.325 3.541 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)c2ccc3c(c2)COC3)cccc1[N+](=O)[O-] ZINC000358340315 1030445696 /nfs/dbraw/zinc/44/56/96/1030445696.db2.gz QHNSBIXSYULDIU-CYBMUJFWSA-N 1 0 312.369 3.784 20 5 DHBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000291784096 1030641030 /nfs/dbraw/zinc/64/10/30/1030641030.db2.gz VGKHWWWORCRLHN-XPTSAGLGSA-N 1 0 324.427 3.510 20 5 DHBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(OC)n1 ZINC000926267814 1030678022 /nfs/dbraw/zinc/67/80/22/1030678022.db2.gz ACXPPFRBZOUUFL-AWEZNQCLSA-N 1 0 315.373 3.548 20 5 DHBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122994909 1030937168 /nfs/dbraw/zinc/93/71/68/1030937168.db2.gz UKGPIGJPVXSLGL-VIFPVBQESA-N 1 0 313.195 3.588 20 5 DHBDRO C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000927068043 1031066899 /nfs/dbraw/zinc/06/68/99/1031066899.db2.gz QCUKYCIGVOVWFB-XTQGRXLLSA-N 1 0 322.380 3.590 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000927068214 1031068544 /nfs/dbraw/zinc/06/85/44/1031068544.db2.gz FXVRXRSJOBCGQP-DHSIGJKJSA-N 1 0 318.417 3.759 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000927099684 1031089048 /nfs/dbraw/zinc/08/90/48/1031089048.db2.gz DOYGAAMWCCVJHD-TZMCWYRMSA-N 1 0 306.406 3.839 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000844393286 1031095146 /nfs/dbraw/zinc/09/51/46/1031095146.db2.gz JMQBXVXBDFBGDM-DLBZAZTESA-N 1 0 318.348 3.508 20 5 DHBDRO CCc1onc(C)c1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000927139587 1031114259 /nfs/dbraw/zinc/11/42/59/1031114259.db2.gz LQCHAORHINZXJR-LBPRGKRZSA-N 1 0 317.389 3.565 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c(Cl)c1 ZINC000360209698 1031327018 /nfs/dbraw/zinc/32/70/18/1031327018.db2.gz RGVOYMQHAXWPOK-INIZCTEOSA-N 1 0 324.808 3.639 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOC(C)C ZINC000872019516 1031403634 /nfs/dbraw/zinc/40/36/34/1031403634.db2.gz ZEXDVNDHLSXMAK-GFCCVEGCSA-N 1 0 312.435 3.782 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C)nc1 ZINC000872024687 1031408292 /nfs/dbraw/zinc/40/82/92/1031408292.db2.gz CSXSLSNVQAACOW-GFCCVEGCSA-N 1 0 317.414 3.871 20 5 DHBDRO CSCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872038360 1031421946 /nfs/dbraw/zinc/42/19/46/1031421946.db2.gz MOOATAAILHOAIP-SNVBAGLBSA-N 1 0 300.449 3.720 20 5 DHBDRO COCCC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872042300 1031428108 /nfs/dbraw/zinc/42/81/08/1031428108.db2.gz ASBUIBIAIBBQNC-GFCCVEGCSA-N 1 0 310.369 3.591 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000872050067 1031438860 /nfs/dbraw/zinc/43/88/60/1031438860.db2.gz WMXBBZFGXHTTAJ-BMFZPTHFSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000536842238 1031451866 /nfs/dbraw/zinc/45/18/66/1031451866.db2.gz XLYJOZHDRUDOAG-SGTLLEGYSA-N 1 0 314.360 3.800 20 5 DHBDRO Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872063220 1031458764 /nfs/dbraw/zinc/45/87/64/1031458764.db2.gz VHJHZNBJWYAEBX-GXSJLCMTSA-N 1 0 323.393 3.953 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000872065219 1031460252 /nfs/dbraw/zinc/46/02/52/1031460252.db2.gz VVSXOYXAZSRWQS-DGCLKSJQSA-N 1 0 308.403 3.660 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000872066801 1031462524 /nfs/dbraw/zinc/46/25/24/1031462524.db2.gz QRKKCEBEHMBDLJ-ZBFHGGJFSA-N 1 0 306.406 3.587 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCOC[C@H]1C ZINC000872071107 1031466628 /nfs/dbraw/zinc/46/66/28/1031466628.db2.gz KPDWUQOVUUWXRZ-FRRDWIJNSA-N 1 0 324.446 3.640 20 5 DHBDRO COCC1CCC([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872078791 1031475000 /nfs/dbraw/zinc/47/50/00/1031475000.db2.gz JWLMWJXBWBTZDU-HIFPTAJRSA-N 1 0 310.369 3.590 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083480 1031478570 /nfs/dbraw/zinc/47/85/70/1031478570.db2.gz BMUTXYOIEAXVHE-AAEUAGOBSA-N 1 0 310.369 3.590 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000872082013 1031479502 /nfs/dbraw/zinc/47/95/02/1031479502.db2.gz NHLKTHZLHZKGOZ-OPQQBVKSSA-N 1 0 312.460 3.861 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000872108591 1031500745 /nfs/dbraw/zinc/50/07/45/1031500745.db2.gz AMCWYSDXOCKXCA-BSWAZPDLSA-N 1 0 304.390 3.593 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+]C2(Cc3ccccc3)CCC2)cs1 ZINC000537311027 1031569534 /nfs/dbraw/zinc/56/95/34/1031569534.db2.gz LIUWGVAEOCHUBL-UHFFFAOYSA-N 1 0 302.399 3.911 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1F ZINC000872280070 1031571198 /nfs/dbraw/zinc/57/11/98/1031571198.db2.gz JJCPCXKGCAZRQN-HNNXBMFYSA-N 1 0 322.380 3.658 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCc1cccnc1)C1CC1 ZINC000930061904 1031688692 /nfs/dbraw/zinc/68/86/92/1031688692.db2.gz VIUVAEGTYADCGH-UHFFFAOYSA-N 1 0 311.385 3.587 20 5 DHBDRO CCOCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000873080178 1031703810 /nfs/dbraw/zinc/70/38/10/1031703810.db2.gz KNWWCZFDQMULRY-UHFFFAOYSA-N 1 0 306.406 3.590 20 5 DHBDRO COc1ccc(F)cc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873109408 1031712074 /nfs/dbraw/zinc/71/20/74/1031712074.db2.gz POUFSUAQNLZUGM-UHFFFAOYSA-N 1 0 318.348 3.649 20 5 DHBDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792880195 1031719356 /nfs/dbraw/zinc/71/93/56/1031719356.db2.gz BEUYCAUUZKOQKH-GFCCVEGCSA-N 1 0 321.377 3.904 20 5 DHBDRO Cc1c(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)cccc1[N+](=O)[O-] ZINC000873133746 1031720966 /nfs/dbraw/zinc/72/09/66/1031720966.db2.gz JTVJRIXGPHXHSY-KGLIPLIRSA-N 1 0 300.761 3.698 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873152253 1031728463 /nfs/dbraw/zinc/72/84/63/1031728463.db2.gz HWBXSZSEFJARSM-CHWSQXEVSA-N 1 0 314.307 3.890 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000873183864 1031744979 /nfs/dbraw/zinc/74/49/79/1031744979.db2.gz NZJKHECJPQQNQA-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000897800905 1031842134 /nfs/dbraw/zinc/84/21/34/1031842134.db2.gz WJHFTAJWCYCNEK-DYLGSBMWSA-N 1 0 306.431 3.872 20 5 DHBDRO CC(C)([NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccccc1[N+](=O)[O-] ZINC000930554057 1031867651 /nfs/dbraw/zinc/86/76/51/1031867651.db2.gz GERLTYXYKBVXNZ-LMKPVCQUSA-N 1 0 310.344 3.711 20 5 DHBDRO CC1(C)CC2(CC([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)CO1 ZINC000897969715 1031884872 /nfs/dbraw/zinc/88/48/72/1031884872.db2.gz AHTWCIYDSKIQFF-HBSPSFQMSA-N 1 0 316.401 3.519 20 5 DHBDRO CC(C)C[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777951832 1032025989 /nfs/dbraw/zinc/02/59/89/1032025989.db2.gz KNTVWKJEYKDJGV-UHFFFAOYSA-N 1 0 314.389 3.536 20 5 DHBDRO CC(C)[C@@H]1CCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777954041 1032029787 /nfs/dbraw/zinc/02/97/87/1032029787.db2.gz PNKCJFXFDLDDMP-KRWDZBQOSA-N 1 0 314.389 3.536 20 5 DHBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000561702638 1032041525 /nfs/dbraw/zinc/04/15/25/1032041525.db2.gz HYEKKYWOHNIUGJ-ZDUSSCGKSA-N 1 0 316.405 3.675 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1Cl ZINC000877711062 1033421041 /nfs/dbraw/zinc/42/10/41/1033421041.db2.gz VRKOHQJQZIRVDJ-CZUORRHYSA-N 1 0 324.808 3.543 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccncc1 ZINC001172897338 1033435017 /nfs/dbraw/zinc/43/50/17/1033435017.db2.gz ZKDSXUPKAXGDRE-GUYCJALGSA-N 1 0 311.385 3.588 20 5 DHBDRO Cc1ccccc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899146 1033435490 /nfs/dbraw/zinc/43/54/90/1033435490.db2.gz UOVXCXVASDUJPW-SFHVURJKSA-N 1 0 310.397 3.940 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CC3)CC1)CC2 ZINC001172903654 1033437096 /nfs/dbraw/zinc/43/70/96/1033437096.db2.gz IHDPDEPBXZOANG-INIZCTEOSA-N 1 0 300.402 3.718 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909559 1033483318 /nfs/dbraw/zinc/48/33/18/1033483318.db2.gz SMKHLVPICAIIGW-RHSMWYFYSA-N 1 0 302.418 3.964 20 5 DHBDRO C[C@@H]([N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000877954161 1033528399 /nfs/dbraw/zinc/52/83/99/1033528399.db2.gz VFCHUKRKGSCFDK-LLVKDONJSA-N 1 0 318.377 3.511 20 5 DHBDRO CC[C@](C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000152610390 1033530368 /nfs/dbraw/zinc/53/03/68/1033530368.db2.gz JUKIUEDSRYFKFX-BVBGJJFLSA-N 1 0 317.414 3.980 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000152618090 1033532181 /nfs/dbraw/zinc/53/21/81/1033532181.db2.gz LVWDRNFLDJFOAD-OLZOCXBDSA-N 1 0 315.373 3.800 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccs2)cc1[N+](=O)[O-] ZINC000152599002 1033533035 /nfs/dbraw/zinc/53/30/35/1033533035.db2.gz BRAJCNPJLVFVJK-NSHDSACASA-N 1 0 306.387 3.906 20 5 DHBDRO CC[N@H+](CCOc1ccccc1C)Cc1ccccc1[N+](=O)[O-] ZINC000552875238 1033539981 /nfs/dbraw/zinc/53/99/81/1033539981.db2.gz JFDQJTFDSIAYET-UHFFFAOYSA-N 1 0 314.385 3.804 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000153478429 1033578751 /nfs/dbraw/zinc/57/87/51/1033578751.db2.gz XKGVKZHMLJIKDP-LBPRGKRZSA-N 1 0 316.357 3.550 20 5 DHBDRO CCCC1([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCC1 ZINC001173179096 1033580960 /nfs/dbraw/zinc/58/09/60/1033580960.db2.gz KJXWSHKCIXMVIC-LBPRGKRZSA-N 1 0 324.396 3.986 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC3(CC3)CC2)c1F ZINC001173178892 1033581048 /nfs/dbraw/zinc/58/10/48/1033581048.db2.gz BWUVNCWOFYYTCK-GFCCVEGCSA-N 1 0 322.380 3.550 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC[C@H]2C)c1F ZINC001173187079 1033583045 /nfs/dbraw/zinc/58/30/45/1033583045.db2.gz WMFSSOCOHGGEHH-NEPJUHHUSA-N 1 0 310.369 3.548 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CC(C)(C)C)c1F ZINC001173190109 1033583175 /nfs/dbraw/zinc/58/31/75/1033583175.db2.gz QKKUNZBMKWDGBK-LLVKDONJSA-N 1 0 312.385 3.651 20 5 DHBDRO CC[C@H]1CCCC[N@@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173191328 1033583906 /nfs/dbraw/zinc/58/39/06/1033583906.db2.gz CCZFYWMDPYDZFG-STQMWFEESA-N 1 0 324.396 3.938 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CC23CCCC3)c1F ZINC001173184276 1033584178 /nfs/dbraw/zinc/58/41/78/1033584178.db2.gz PKQHVAWKYYNINB-IAQYHMDHSA-N 1 0 322.380 3.596 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2[C@H](C)CC[C@H]2C)c1F ZINC001173184165 1033584803 /nfs/dbraw/zinc/58/48/03/1033584803.db2.gz LQPMDKGDHCIRTQ-UTUOFQBUSA-N 1 0 324.396 3.698 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCCC2(C)C)c1F ZINC001173193705 1033587881 /nfs/dbraw/zinc/58/78/81/1033587881.db2.gz VVAKMOKIFJCFJF-ABAIWWIYSA-N 1 0 324.396 3.842 20 5 DHBDRO CCc1ccc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173215092 1033594897 /nfs/dbraw/zinc/59/48/97/1033594897.db2.gz RVCNICFVSLIJMY-HNNXBMFYSA-N 1 0 312.413 3.921 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001173217598 1033596983 /nfs/dbraw/zinc/59/69/83/1033596983.db2.gz WXTJEIMWNWKSLT-LLVKDONJSA-N 1 0 306.312 3.594 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nccc2ccccc21 ZINC001173218087 1033598592 /nfs/dbraw/zinc/59/85/92/1033598592.db2.gz OGVLQHSATXRZEO-AWEZNQCLSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(c2ccccc2)CC1 ZINC001173219677 1033600838 /nfs/dbraw/zinc/60/08/38/1033600838.db2.gz PJHBHJLRHHVTEF-HNNXBMFYSA-N 1 0 310.397 3.847 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2sccc2C1 ZINC001173221192 1033600847 /nfs/dbraw/zinc/60/08/47/1033600847.db2.gz GEPGCMHZCJGDMA-GFCCVEGCSA-N 1 0 302.399 3.646 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1ccc2cc(CC[NH3+])ccc21 ZINC001173219865 1033601117 /nfs/dbraw/zinc/60/11/17/1033601117.db2.gz PXMDQRJZNUAYDZ-CQSZACIVSA-N 1 0 323.396 3.854 20 5 DHBDRO CC(C)CC1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001173223688 1033603997 /nfs/dbraw/zinc/60/39/97/1033603997.db2.gz KWYWYWXCTMSNRX-HNNXBMFYSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001173226617 1033605317 /nfs/dbraw/zinc/60/53/17/1033605317.db2.gz MWOPDRQJOKNQIQ-KBXCAEBGSA-N 1 0 311.385 3.758 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(F)cc1 ZINC001173229405 1033605597 /nfs/dbraw/zinc/60/55/97/1033605597.db2.gz UGOMYSWZWQSFPQ-ZDUSSCGKSA-N 1 0 302.349 3.797 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncc2ccccc21 ZINC001173231422 1033608020 /nfs/dbraw/zinc/60/80/20/1033608020.db2.gz ZBGKDWIVTMBPHB-CQSZACIVSA-N 1 0 321.380 3.864 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCCc1ccccn1 ZINC001173234141 1033608947 /nfs/dbraw/zinc/60/89/47/1033608947.db2.gz NRRTVIYMYFJXSG-HNNXBMFYSA-N 1 0 313.401 3.533 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccccc1F ZINC001173232822 1033609076 /nfs/dbraw/zinc/60/90/76/1033609076.db2.gz GBQAJCQEXLBEII-AWEZNQCLSA-N 1 0 316.376 3.887 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)c1ccc(O)cc1 ZINC001173233174 1033609553 /nfs/dbraw/zinc/60/95/53/1033609553.db2.gz HJDFSOWGXDTKHD-KGLIPLIRSA-N 1 0 314.385 3.625 20 5 DHBDRO Cc1ccc(C)c(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173213029 1033614798 /nfs/dbraw/zinc/61/47/98/1033614798.db2.gz CUQJNZYZEHJGAC-INIZCTEOSA-N 1 0 312.413 3.975 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173210092 1033615075 /nfs/dbraw/zinc/61/50/75/1033615075.db2.gz IDUKDWLUONWHAU-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1c(C[NH3+])cc2ccccc21 ZINC001173214791 1033617173 /nfs/dbraw/zinc/61/71/73/1033617173.db2.gz QGHSCKIFFLYGEV-CYBMUJFWSA-N 1 0 309.369 3.812 20 5 DHBDRO CC[C@@H](C)C[N@H+](CC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177860961 1034189026 /nfs/dbraw/zinc/18/90/26/1034189026.db2.gz FEOVSKLSEAFZDW-GFCCVEGCSA-N 1 0 318.377 3.513 20 5 DHBDRO Cc1cc(C[NH+](C)C)cc(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000864038081 1034270939 /nfs/dbraw/zinc/27/09/39/1034270939.db2.gz IYEKGVALTUKHRP-UHFFFAOYSA-N 1 0 313.401 3.885 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880318358 1034295639 /nfs/dbraw/zinc/29/56/39/1034295639.db2.gz YCVSEPOFYWYQKR-RYUDHWBXSA-N 1 0 303.387 3.602 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000183252856 1034366653 /nfs/dbraw/zinc/36/66/53/1034366653.db2.gz PCWJZPHGTUPHBB-UHFFFAOYSA-N 1 0 302.296 3.678 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000185566289 1034557778 /nfs/dbraw/zinc/55/77/78/1034557778.db2.gz QQEYKZXUIQTJOE-NSHDSACASA-N 1 0 304.321 3.599 20 5 DHBDRO Cc1cnc([C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000186776465 1034660395 /nfs/dbraw/zinc/66/03/95/1034660395.db2.gz YVRLQFMHYFXDNM-ZYHUDNBSSA-N 1 0 305.403 3.814 20 5 DHBDRO COc1ccc(C[NH2+]Cc2cc(C)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000555529555 1034786399 /nfs/dbraw/zinc/78/63/99/1034786399.db2.gz DFXMZXICENPAPM-UHFFFAOYSA-N 1 0 320.776 3.855 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000600187938 1034789502 /nfs/dbraw/zinc/78/95/02/1034789502.db2.gz BAXQMQLYGJSAHO-FIRJTHROSA-N 1 0 318.442 3.968 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@H]3OCC[C@@H]31)CCC2 ZINC000192961569 1034824184 /nfs/dbraw/zinc/82/41/84/1034824184.db2.gz MQJPASGFRNQEKP-LAVFITLUSA-N 1 0 316.401 3.519 20 5 DHBDRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000482497686 1035118717 /nfs/dbraw/zinc/11/87/17/1035118717.db2.gz DCMFGLHOBNUPLW-KZULUSFZSA-N 1 0 314.360 3.800 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCN2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000482627044 1035149702 /nfs/dbraw/zinc/14/97/02/1035149702.db2.gz GRGBGVUPQOVPRP-FMKPAKJESA-N 1 0 319.449 3.817 20 5 DHBDRO O=[N+]([O-])/C=C/c1ccc(Nc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001175901225 1035156149 /nfs/dbraw/zinc/15/61/49/1035156149.db2.gz LDVDDJWVVHZNIX-XYOKQWHBSA-N 1 0 310.357 3.673 20 5 DHBDRO Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175902725 1035156515 /nfs/dbraw/zinc/15/65/15/1035156515.db2.gz QSBIMIPCROMYDO-CMDGGOBGSA-N 1 0 312.304 3.773 20 5 DHBDRO CC(C)c1ccc(C(=O)Nc2ccc3nccn3c2)cc1[N+](=O)[O-] ZINC000615197465 1035172035 /nfs/dbraw/zinc/17/20/35/1035172035.db2.gz DFAVAJCDGDMEJU-UHFFFAOYSA-N 1 0 324.340 3.618 20 5 DHBDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001175992785 1035176145 /nfs/dbraw/zinc/17/61/45/1035176145.db2.gz YNJYXCYBYSYJAO-CYBMUJFWSA-N 1 0 318.348 3.772 20 5 DHBDRO CC[C@H](C)C[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000482893025 1035192915 /nfs/dbraw/zinc/19/29/15/1035192915.db2.gz RBZBHAAHWSTVIY-ZDUSSCGKSA-N 1 0 321.421 3.600 20 5 DHBDRO CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000482954622 1035205926 /nfs/dbraw/zinc/20/59/26/1035205926.db2.gz FDRVNKQHJLKRDX-HOCLYGCPSA-N 1 0 305.422 3.510 20 5 DHBDRO C[N@H+](CCc1cccs1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111323434 1035211710 /nfs/dbraw/zinc/21/17/10/1035211710.db2.gz QEDMNAXILFSMNZ-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000483422674 1035268723 /nfs/dbraw/zinc/26/87/23/1035268723.db2.gz YBFHSKZARULJME-NKHHLTQSSA-N 1 0 318.417 3.745 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000483739380 1035294950 /nfs/dbraw/zinc/29/49/50/1035294950.db2.gz BPLUKZINUUTXMR-BBWFWOEESA-N 1 0 306.406 3.983 20 5 DHBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@@H+]1C ZINC000484640042 1035378642 /nfs/dbraw/zinc/37/86/42/1035378642.db2.gz PSFBRWVDQKPAAU-OCCSQVGLSA-N 1 0 321.421 3.667 20 5 DHBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000484861512 1035411189 /nfs/dbraw/zinc/41/11/89/1035411189.db2.gz DVIBHLBHFHNPPY-LBPRGKRZSA-N 1 0 309.410 3.524 20 5 DHBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3ccccc3C2)c1 ZINC001178393306 1035425051 /nfs/dbraw/zinc/42/50/51/1035425051.db2.gz MOTNQQRMUDCQIB-GOSISDBHSA-N 1 0 310.397 3.675 20 5 DHBDRO Cc1ccncc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001178773604 1035449170 /nfs/dbraw/zinc/44/91/70/1035449170.db2.gz AOJUPWKVGJIXQM-UHFFFAOYSA-N 1 0 323.352 3.848 20 5 DHBDRO COc1ccc(C[NH2+]CCc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC001179111132 1035465497 /nfs/dbraw/zinc/46/54/97/1035465497.db2.gz SRRKQRCFKJNCTR-UHFFFAOYSA-N 1 0 314.385 3.553 20 5 DHBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)C1(C)C ZINC001179962935 1035561688 /nfs/dbraw/zinc/56/16/88/1035561688.db2.gz UPDWRBTUXOVUOX-SJLPKXTDSA-N 1 0 320.433 3.847 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC(C)(C)CC[C@@H]1C ZINC001180310645 1035639586 /nfs/dbraw/zinc/63/95/86/1035639586.db2.gz NKZPHTJJKPDJPT-SWLSCSKDSA-N 1 0 306.406 3.908 20 5 DHBDRO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC001180646803 1035734743 /nfs/dbraw/zinc/73/47/43/1035734743.db2.gz REARLIPYBOWJEU-LBPRGKRZSA-N 1 0 311.341 3.629 20 5 DHBDRO C[C@H]1C[C@H](C)C[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089883471 1035759296 /nfs/dbraw/zinc/75/92/96/1035759296.db2.gz XFDCSVSPKCCGLV-STQMWFEESA-N 1 0 315.373 3.728 20 5 DHBDRO Cc1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000122264846 1035770659 /nfs/dbraw/zinc/77/06/59/1035770659.db2.gz MSGZEPFUXGMDSM-UHFFFAOYSA-N 1 0 324.380 3.898 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494704452 1035770995 /nfs/dbraw/zinc/77/09/95/1035770995.db2.gz SEGYXWUZEQTRMZ-YOEHRIQHSA-N 1 0 318.417 3.855 20 5 DHBDRO CC1(C)CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000539599920 1035796575 /nfs/dbraw/zinc/79/65/75/1035796575.db2.gz KJFIAWSINQQADX-LLVKDONJSA-N 1 0 314.332 3.865 20 5 DHBDRO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C ZINC000089912397 1035796806 /nfs/dbraw/zinc/79/68/06/1035796806.db2.gz AHJRTFRAVIEFDZ-LLVKDONJSA-N 1 0 303.362 3.774 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1C[C@@H]1c1ccccc1)C2 ZINC000539829626 1035885625 /nfs/dbraw/zinc/88/56/25/1035885625.db2.gz PUWYCCHLTAAPSH-SJLPKXTDSA-N 1 0 308.381 3.757 20 5 DHBDRO Cc1cc(CN2CCc3ccc([N+](=O)[O-])cc3C2)ccc1F ZINC000539833811 1035889493 /nfs/dbraw/zinc/88/94/93/1035889493.db2.gz MDCVUGBHZSCUHD-UHFFFAOYSA-N 1 0 300.333 3.601 20 5 DHBDRO CC[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485734793 1035921274 /nfs/dbraw/zinc/92/12/74/1035921274.db2.gz DREHZSQKCVSUCX-UHFFFAOYSA-N 1 0 314.385 3.668 20 5 DHBDRO COC(C)(C)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000539926649 1035936455 /nfs/dbraw/zinc/93/64/55/1035936455.db2.gz AQJHTQUUOAFDPU-UHFFFAOYSA-N 1 0 318.373 3.712 20 5 DHBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000485785508 1035965827 /nfs/dbraw/zinc/96/58/27/1035965827.db2.gz LEAFNVJCSYKJKI-UHFFFAOYSA-N 1 0 323.437 3.772 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCSCC(F)(F)F)cc1[N+](=O)[O-] ZINC000540152189 1035989278 /nfs/dbraw/zinc/98/92/78/1035989278.db2.gz XEDMWFNXXMUQIJ-SNVBAGLBSA-N 1 0 322.352 3.849 20 5 DHBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000540157011 1035989537 /nfs/dbraw/zinc/98/95/37/1035989537.db2.gz UUVAUTOFJRBKDM-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO Cc1ccc(OCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000540176848 1035994910 /nfs/dbraw/zinc/99/49/10/1035994910.db2.gz TVJJWORUCUXRLM-HNNXBMFYSA-N 1 0 314.385 3.941 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000251927077 1036051964 /nfs/dbraw/zinc/05/19/64/1036051964.db2.gz STVJMESKOQTPDK-NXOAAHMSSA-N 1 0 304.390 3.593 20 5 DHBDRO C=Cc1ccc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC001181944441 1036054124 /nfs/dbraw/zinc/05/41/24/1036054124.db2.gz DSKDHNBFQMXDJU-UHFFFAOYSA-N 1 0 323.352 3.711 20 5 DHBDRO Cc1noc(C[N@@H+]2CC[C@@H]([C@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000595558957 1036234194 /nfs/dbraw/zinc/23/41/94/1036234194.db2.gz RMDKHNONOLJFMC-CHWSQXEVSA-N 1 0 307.394 3.539 20 5 DHBDRO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774215059 1036244653 /nfs/dbraw/zinc/24/46/53/1036244653.db2.gz UTVKNQAPIOYNNP-XNRPHZJLSA-N 1 0 306.431 3.846 20 5 DHBDRO C[N+](C)(C)CCO[C@H]1CCCc2ccc(Br)cc21 ZINC001224773099 1036312943 /nfs/dbraw/zinc/31/29/43/1036312943.db2.gz DTVWUBDDWUDREQ-HNNXBMFYSA-N 1 0 313.259 3.549 20 5 DHBDRO CCCC[NH+](CCCC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000914785635 1036337900 /nfs/dbraw/zinc/33/79/00/1036337900.db2.gz OIOANWDXOWVXKB-UHFFFAOYSA-N 1 0 304.394 3.804 20 5 DHBDRO CC[C@H](OCC[N+](C)(C)C)c1ccc(Br)cc1 ZINC001224775156 1036343628 /nfs/dbraw/zinc/34/36/28/1036343628.db2.gz JPWWSAJIARVOCU-AWEZNQCLSA-N 1 0 301.248 3.623 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000323711254 1036344282 /nfs/dbraw/zinc/34/42/82/1036344282.db2.gz KQCJZJCLSQYOEF-GFCCVEGCSA-N 1 0 313.195 3.636 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000541559441 1036362847 /nfs/dbraw/zinc/36/28/47/1036362847.db2.gz RRWUVTRJDPOQAN-KKUMJFAQSA-N 1 0 306.406 3.759 20 5 DHBDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC001196124650 1036459143 /nfs/dbraw/zinc/45/91/43/1036459143.db2.gz NRXGUJRBPHNGNO-HZPDHXFCSA-N 1 0 318.417 3.811 20 5 DHBDRO Cc1cnn(CCCCC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000271700568 1036479194 /nfs/dbraw/zinc/47/91/94/1036479194.db2.gz HHQZAPKAWPLIBC-HNNXBMFYSA-N 1 0 316.405 3.621 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000495370071 1036573253 /nfs/dbraw/zinc/57/32/53/1036573253.db2.gz ZVJISRZWQXLCGE-DOMZBBRYSA-N 1 0 306.406 3.900 20 5 DHBDRO CCC[NH+](CCC)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774634493 1036599133 /nfs/dbraw/zinc/59/91/33/1036599133.db2.gz KVGVKMWLBJSSRM-UHFFFAOYSA-N 1 0 310.785 3.677 20 5 DHBDRO CC(C)[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639745 1036605204 /nfs/dbraw/zinc/60/52/04/1036605204.db2.gz XYWXLUFFPIVTMP-LLVKDONJSA-N 1 0 322.796 3.533 20 5 DHBDRO C[C@H]([N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1(C)CC1 ZINC000774638215 1036616392 /nfs/dbraw/zinc/61/63/92/1036616392.db2.gz QNIFRRIZSGKERI-JTQLQIEISA-N 1 0 322.796 3.676 20 5 DHBDRO CC(C)[N@H+](CC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000915207825 1036703777 /nfs/dbraw/zinc/70/37/77/1036703777.db2.gz GOTIHSAETUSSKK-UHFFFAOYSA-N 1 0 321.402 3.950 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](C3CCC3)CC2)cc1 ZINC001197202082 1036705713 /nfs/dbraw/zinc/70/57/13/1036705713.db2.gz LORFEQRAMPSWAC-YJBOKZPZSA-N 1 0 318.417 3.530 20 5 DHBDRO C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(CO)c1 ZINC000271957677 1036759764 /nfs/dbraw/zinc/75/97/64/1036759764.db2.gz LBEJJHLVPJWSQD-NSHDSACASA-N 1 0 320.776 3.591 20 5 DHBDRO CCC1(CC)CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC001197515117 1036787538 /nfs/dbraw/zinc/78/75/38/1036787538.db2.gz YRJXCWHRQOFHFZ-UHFFFAOYSA-N 1 0 322.405 3.637 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@@H]2Cc2ccccc2)c(F)c1 ZINC001184337399 1036816149 /nfs/dbraw/zinc/81/61/49/1036816149.db2.gz GENLGQVWWZWVQY-HOTGVXAUSA-N 1 0 314.360 3.702 20 5 DHBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@]12CCC[C@H]1OCC2 ZINC001184374124 1036826623 /nfs/dbraw/zinc/82/66/23/1036826623.db2.gz JSAHJKJAGDDGSB-HZPDHXFCSA-N 1 0 324.808 3.639 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001197719766 1036855480 /nfs/dbraw/zinc/85/54/80/1036855480.db2.gz LXDKBSSFOWBKSG-QAPCUYQASA-N 1 0 312.344 3.507 20 5 DHBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCC[C@H]1C ZINC000487967898 1036887496 /nfs/dbraw/zinc/88/74/96/1036887496.db2.gz CAWMKWPJMPMOCK-CZUORRHYSA-N 1 0 306.406 3.540 20 5 DHBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152128860 1036906203 /nfs/dbraw/zinc/90/62/03/1036906203.db2.gz BGTVFCSURPLKGH-VXGBXAGGSA-N 1 0 317.389 3.790 20 5 DHBDRO CSCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001198458394 1037028595 /nfs/dbraw/zinc/02/85/95/1037028595.db2.gz RIPFUBXRBIODTL-UHFFFAOYSA-N 1 0 322.352 3.845 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000489179482 1037299122 /nfs/dbraw/zinc/29/91/22/1037299122.db2.gz ZIACYALUIWGJMC-MRXNPFEDSA-N 1 0 312.369 3.593 20 5 DHBDRO CCC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000776019953 1037333908 /nfs/dbraw/zinc/33/39/08/1037333908.db2.gz USVKGFQKFGPWLL-ZWKOTPCHSA-N 1 0 320.433 3.967 20 5 DHBDRO Cc1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761521617 1037346059 /nfs/dbraw/zinc/34/60/59/1037346059.db2.gz JAXCXYRIURCTIM-UHFFFAOYSA-N 1 0 304.777 3.889 20 5 DHBDRO CCCN(CC[NH+]1CCCCC1)c1cc(C)ccc1[N+](=O)[O-] ZINC001186413939 1037403913 /nfs/dbraw/zinc/40/39/13/1037403913.db2.gz NFXWOLHZPQJGQW-UHFFFAOYSA-N 1 0 305.422 3.606 20 5 DHBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000776174666 1037677914 /nfs/dbraw/zinc/67/79/14/1037677914.db2.gz RMLNYVCZKSQFRZ-NSHDSACASA-N 1 0 320.776 3.675 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3C=CCCC3)cs2)c1 ZINC000151138357 1037732300 /nfs/dbraw/zinc/73/23/00/1037732300.db2.gz WBJXIKIRAYBTSW-CYBMUJFWSA-N 1 0 315.398 3.917 20 5 DHBDRO CC[NH+](CC)CC[C@H](C)Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC001187921189 1037755975 /nfs/dbraw/zinc/75/59/75/1037755975.db2.gz PTPBKPNDUYWXQL-ZDUSSCGKSA-N 1 0 316.405 3.675 20 5 DHBDRO CCC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000122841394 1037810713 /nfs/dbraw/zinc/81/07/13/1037810713.db2.gz SMYFPTYSXFNEJS-GOSISDBHSA-N 1 0 317.433 3.652 20 5 DHBDRO C[C@@H](CCc1ccccc1)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001202228697 1038092896 /nfs/dbraw/zinc/09/28/96/1038092896.db2.gz WFKKBQVTBBJDID-INIZCTEOSA-N 1 0 312.413 3.996 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc3c[nH]nc32)C2CC2)cc1 ZINC000154258633 1038121007 /nfs/dbraw/zinc/12/10/07/1038121007.db2.gz KAFHMFQEIHNHQY-UHFFFAOYSA-N 1 0 322.368 3.636 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(Br)cc1 ZINC000055412689 1038152309 /nfs/dbraw/zinc/15/23/09/1038152309.db2.gz SPLGMMAAWNDABW-UHFFFAOYSA-N 1 0 321.174 3.647 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C12CCC2 ZINC000571895867 1038262370 /nfs/dbraw/zinc/26/23/70/1038262370.db2.gz XFYGHCYMZAFUKN-HYVNUMGLSA-N 1 0 316.401 3.519 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCSCC1)CCCC2 ZINC000591348358 1038266649 /nfs/dbraw/zinc/26/66/49/1038266649.db2.gz XCQYFSFDMJJILY-INIZCTEOSA-N 1 0 306.431 3.848 20 5 DHBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000589113898 1038434081 /nfs/dbraw/zinc/43/40/81/1038434081.db2.gz SNEBBEIPGLYSME-GFCCVEGCSA-N 1 0 313.348 3.819 20 5 DHBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000589187851 1038445142 /nfs/dbraw/zinc/44/51/42/1038445142.db2.gz ZYIXGJCOQUATNG-GPXGYGPYSA-N 1 0 318.417 3.624 20 5 DHBDRO CC(C)=CCC[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572632260 1038492861 /nfs/dbraw/zinc/49/28/61/1038492861.db2.gz WNLDTAZGVYJOHN-AWEZNQCLSA-N 1 0 319.405 3.648 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1C[C@H]1c1ccccc1)CCO2 ZINC000589521543 1038500059 /nfs/dbraw/zinc/50/00/59/1038500059.db2.gz FKXZXJHDGVBWRJ-QAPCUYQASA-N 1 0 324.380 3.593 20 5 DHBDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1C ZINC000572829765 1038504897 /nfs/dbraw/zinc/50/48/97/1038504897.db2.gz QMCTYMHHVAFQDY-UHFFFAOYSA-N 1 0 314.385 3.586 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CCO)CCCCC1 ZINC000165646700 1038549044 /nfs/dbraw/zinc/54/90/44/1038549044.db2.gz PUAVJAUFBNUCOD-OAHLLOKOSA-N 1 0 320.433 3.887 20 5 DHBDRO Cc1nn(C[N@@H+](C)C2CCC(C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761288023 1038868901 /nfs/dbraw/zinc/86/89/01/1038868901.db2.gz ICKRTGSKNYOIHY-UHFFFAOYSA-N 1 0 316.405 3.721 20 5 DHBDRO CC(C)Oc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000058092862 1038917869 /nfs/dbraw/zinc/91/78/69/1038917869.db2.gz AZXFXSBVKUHTIH-UHFFFAOYSA-N 1 0 314.385 3.714 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1 ZINC000598988870 1038966118 /nfs/dbraw/zinc/96/61/18/1038966118.db2.gz DINRABPQGRPXNN-GVDBMIGSSA-N 1 0 314.772 3.676 20 5 DHBDRO CCC[C@H]([NH2+]CC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599055977 1039016094 /nfs/dbraw/zinc/01/60/94/1039016094.db2.gz FVBOCOMDXHHTKP-PBHICJAKSA-N 1 0 306.406 3.842 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CO[C@H](C3CC3)C1)CCCC2 ZINC000599085305 1039037000 /nfs/dbraw/zinc/03/70/00/1039037000.db2.gz PDJCRIXRKXVTDL-QGTPRVQTSA-N 1 0 316.401 3.519 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CO[C@H](C3CC3)C1)CCCC2 ZINC000599085304 1039038620 /nfs/dbraw/zinc/03/86/20/1039038620.db2.gz PDJCRIXRKXVTDL-OLMNPRSZSA-N 1 0 316.401 3.519 20 5 DHBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000225514743 1039085241 /nfs/dbraw/zinc/08/52/41/1039085241.db2.gz GILSAIQMPOMBBC-NEPJUHHUSA-N 1 0 300.811 3.622 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000593714814 1039091388 /nfs/dbraw/zinc/09/13/88/1039091388.db2.gz BQHWDUZXYHYURT-SCLBCKFNSA-N 1 0 318.417 3.759 20 5 DHBDRO CC[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000593715508 1039101368 /nfs/dbraw/zinc/10/13/68/1039101368.db2.gz JLUVXRGULYQHFM-ZWKOTPCHSA-N 1 0 318.417 3.841 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1CNC1(c2ccccc2C)CC1 ZINC000592138164 1039129514 /nfs/dbraw/zinc/12/95/14/1039129514.db2.gz VBUIJFORLXBHJC-UHFFFAOYSA-N 1 0 312.369 3.691 20 5 DHBDRO COc1ccc(C[NH2+]C2(c3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000592140075 1039133692 /nfs/dbraw/zinc/13/36/92/1039133692.db2.gz YFYURRMZZPIOPB-UHFFFAOYSA-N 1 0 312.369 3.691 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000592140177 1039134376 /nfs/dbraw/zinc/13/43/76/1039134376.db2.gz NNLOFPASFWHBQZ-GOEBONIOSA-N 1 0 311.385 3.849 20 5 DHBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC(F)F ZINC000592392229 1039174741 /nfs/dbraw/zinc/17/47/41/1039174741.db2.gz IYFGKZTZTICUKI-SMDDNHRTSA-N 1 0 312.360 3.797 20 5 DHBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000603852141 1039186378 /nfs/dbraw/zinc/18/63/78/1039186378.db2.gz AWDVVLLKIVSJEE-UHFFFAOYSA-N 1 0 314.385 3.538 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000058563281 1039276510 /nfs/dbraw/zinc/27/65/10/1039276510.db2.gz LBZOPZOWUMFECX-UHFFFAOYSA-N 1 0 312.369 3.638 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000574128270 1039412279 /nfs/dbraw/zinc/41/22/79/1039412279.db2.gz PWORGKVDQPSZPP-QWRGUYRKSA-N 1 0 309.797 3.594 20 5 DHBDRO Cc1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1[N+](=O)[O-] ZINC000574143912 1039418250 /nfs/dbraw/zinc/41/82/50/1039418250.db2.gz DNGVZJDFHRTHGB-QGZVFWFLSA-N 1 0 318.417 3.827 20 5 DHBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000592397890 1039445905 /nfs/dbraw/zinc/44/59/05/1039445905.db2.gz GECJXAABWCNFDP-UVBJJODRSA-N 1 0 306.431 3.846 20 5 DHBDRO C[C@H](CNc1ccsc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000604432647 1039475460 /nfs/dbraw/zinc/47/54/60/1039475460.db2.gz JCXFFELDHRJCPT-GFCCVEGCSA-N 1 0 317.414 3.515 20 5 DHBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000168201681 1039806020 /nfs/dbraw/zinc/80/60/20/1039806020.db2.gz UGYHMDUEBNWQJN-MNOVXSKESA-N 1 0 303.362 3.920 20 5 DHBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594508559 1039812640 /nfs/dbraw/zinc/81/26/40/1039812640.db2.gz UGDOTKYTBTUBAE-ZOWXZIJZSA-N 1 0 304.390 3.518 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594510819 1039813725 /nfs/dbraw/zinc/81/37/25/1039813725.db2.gz LGXSHXGIZVCQRH-JQHSSLGASA-N 1 0 316.401 3.519 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000594513601 1039818459 /nfs/dbraw/zinc/81/84/59/1039818459.db2.gz LWKKAXVAPZAACM-WFASDCNBSA-N 1 0 322.405 3.613 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000594515559 1039819431 /nfs/dbraw/zinc/81/94/31/1039819431.db2.gz UKXQQVLLIUZFDQ-YPMHNXCESA-N 1 0 322.405 3.532 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000594519861 1039823135 /nfs/dbraw/zinc/82/31/35/1039823135.db2.gz MABYDKZWPOIEAG-CZUORRHYSA-N 1 0 304.390 3.737 20 5 DHBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594521392 1039827724 /nfs/dbraw/zinc/82/77/24/1039827724.db2.gz USXLPLHZTZVWIX-OJJSLQOQSA-N 1 0 304.390 3.545 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCCN2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000594522521 1039827803 /nfs/dbraw/zinc/82/78/03/1039827803.db2.gz ZCKJFLPTPCFEMI-KSZLIROESA-N 1 0 317.433 3.652 20 5 DHBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CO1 ZINC000594969671 1039948926 /nfs/dbraw/zinc/94/89/26/1039948926.db2.gz ZAWZODROSIZYAE-LBPRGKRZSA-N 1 0 316.357 3.512 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000594984500 1040000715 /nfs/dbraw/zinc/00/07/15/1040000715.db2.gz IQGQZIFRKRRDCE-RVUPLZSRSA-N 1 0 304.390 3.545 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)C2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000594989728 1040008314 /nfs/dbraw/zinc/00/83/14/1040008314.db2.gz IYVWIJPEKROJMI-LMWSTFAQSA-N 1 0 310.369 3.610 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000594991235 1040008703 /nfs/dbraw/zinc/00/87/03/1040008703.db2.gz GNYBJPAVARBSFS-SMJHDNPOSA-N 1 0 310.344 3.879 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000595002972 1040014245 /nfs/dbraw/zinc/01/42/45/1040014245.db2.gz AJVCWWFBAWXFNI-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000595003287 1040014790 /nfs/dbraw/zinc/01/47/90/1040014790.db2.gz GAHSXOIROHGUMV-CHWSQXEVSA-N 1 0 318.373 3.868 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000594044097 1040014869 /nfs/dbraw/zinc/01/48/69/1040014869.db2.gz OYEKVMXBEROQCP-LSDHHAIUSA-N 1 0 312.797 3.686 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000595055124 1040019367 /nfs/dbraw/zinc/01/93/67/1040019367.db2.gz SWJNHMBQVGECFL-GHMZBOCLSA-N 1 0 314.332 3.689 20 5 DHBDRO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595056605 1040023144 /nfs/dbraw/zinc/02/31/44/1040023144.db2.gz NMMJRERWSMQYMQ-DZGCQCFKSA-N 1 0 306.406 3.759 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595056608 1040023209 /nfs/dbraw/zinc/02/32/09/1040023209.db2.gz NMMJRERWSMQYMQ-ZFWWWQNUSA-N 1 0 306.406 3.759 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[C@@H]1CCCCO1 ZINC000595031066 1040040229 /nfs/dbraw/zinc/04/02/29/1040040229.db2.gz DLXNNBDCWYYWJH-HIFRSBDPSA-N 1 0 322.405 3.603 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000595041579 1040045278 /nfs/dbraw/zinc/04/52/78/1040045278.db2.gz CNDPIRSCKHROQP-VHSXEESVSA-N 1 0 302.321 3.545 20 5 DHBDRO C[C@@]1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1(F)F ZINC000595078865 1040072376 /nfs/dbraw/zinc/07/23/76/1040072376.db2.gz GLWUPQXNXWTGAJ-ZFWWWQNUSA-N 1 0 310.344 3.952 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000595089891 1040075621 /nfs/dbraw/zinc/07/56/21/1040075621.db2.gz QDQUXGBUWZWIJU-KZULUSFZSA-N 1 0 312.369 3.947 20 5 DHBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595345181 1040104428 /nfs/dbraw/zinc/10/44/28/1040104428.db2.gz PVSNSAXXIFCIIQ-OAHLLOKOSA-N 1 0 317.389 3.734 20 5 DHBDRO Cc1noc(C[N@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595323569 1040107225 /nfs/dbraw/zinc/10/72/25/1040107225.db2.gz ZKJKAIRKRVOLBB-GXTWGEPZSA-N 1 0 315.373 3.578 20 5 DHBDRO Cc1noc(C[N@@H+]2CCCC3(C2)CCCCCC3)c1[N+](=O)[O-] ZINC000595324677 1040107987 /nfs/dbraw/zinc/10/79/87/1040107987.db2.gz FQWRNZRPOMJAOA-UHFFFAOYSA-N 1 0 307.394 3.828 20 5 DHBDRO Cc1noc(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595451389 1040144199 /nfs/dbraw/zinc/14/41/99/1040144199.db2.gz XKXFNWDCYUWDCV-GJZGRUSLSA-N 1 0 315.373 3.707 20 5 DHBDRO Cc1noc(C[N@H+]2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595479630 1040149117 /nfs/dbraw/zinc/14/91/17/1040149117.db2.gz GAVFXZPOIFXNLC-WFASDCNBSA-N 1 0 315.373 3.578 20 5 DHBDRO CO[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595512878 1040157280 /nfs/dbraw/zinc/15/72/80/1040157280.db2.gz XHNVTQXFAAFTDQ-MRXNPFEDSA-N 1 0 306.406 3.625 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000595755506 1040244181 /nfs/dbraw/zinc/24/41/81/1040244181.db2.gz NBZDOLPQUZSMEP-CYBMUJFWSA-N 1 0 310.369 3.565 20 5 DHBDRO Cc1cc(N2CCC(C[NH+]3CCCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596100024 1040297782 /nfs/dbraw/zinc/29/77/82/1040297782.db2.gz ZCNVQIHXFHVSMP-UHFFFAOYSA-N 1 0 323.462 3.667 20 5 DHBDRO CC[NH+](CC)CC1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596079940 1040299534 /nfs/dbraw/zinc/29/95/34/1040299534.db2.gz APROSCWWAZJXJF-UHFFFAOYSA-N 1 0 311.451 3.523 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)CC(F)(F)F ZINC000596067545 1040300537 /nfs/dbraw/zinc/30/05/37/1040300537.db2.gz PCBZNEIOMIPHKH-UHFFFAOYSA-N 1 0 304.312 3.971 20 5 DHBDRO C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000596145102 1040315551 /nfs/dbraw/zinc/31/55/51/1040315551.db2.gz GMIBBVQYXOIXSF-ONGXEEELSA-N 1 0 317.311 3.508 20 5 DHBDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596653176 1040524636 /nfs/dbraw/zinc/52/46/36/1040524636.db2.gz SCFSNXHYHXUBJC-MOPGFXCFSA-N 1 0 323.396 3.832 20 5 DHBDRO Cc1ncc(-c2ccc(C[N@H+]3CCC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000596631664 1040528864 /nfs/dbraw/zinc/52/88/64/1040528864.db2.gz XBTYSANMDWKNQZ-CYBMUJFWSA-N 1 0 311.385 3.950 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000601321545 1040600824 /nfs/dbraw/zinc/60/08/24/1040600824.db2.gz SQGDNHJSIFUPTF-HZPDHXFCSA-N 1 0 314.389 3.757 20 5 DHBDRO CCCn1nccc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000596980043 1040615224 /nfs/dbraw/zinc/61/52/24/1040615224.db2.gz SWCQZDBOWIMBKV-UHFFFAOYSA-N 1 0 316.405 3.612 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000597224009 1040703250 /nfs/dbraw/zinc/70/32/50/1040703250.db2.gz ARRNSUAXFAXBFG-AEFFLSMTSA-N 1 0 318.417 3.684 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CNc3ccccc3C2)cc1[N+](=O)[O-] ZINC000593319776 1040717078 /nfs/dbraw/zinc/71/70/78/1040717078.db2.gz PIUBJURUBKOGAJ-BBRMVZONSA-N 1 0 311.385 3.591 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CNc3ccccc3C2)cc1[N+](=O)[O-] ZINC000593319779 1040719615 /nfs/dbraw/zinc/71/96/15/1040719615.db2.gz PIUBJURUBKOGAJ-XJKSGUPXSA-N 1 0 311.385 3.591 20 5 DHBDRO O=[N+]([O-])c1cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cs1 ZINC000075831507 1040827338 /nfs/dbraw/zinc/82/73/38/1040827338.db2.gz RQIOJKPXYJMVFL-AWEZNQCLSA-N 1 0 310.419 3.580 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000601963007 1040843661 /nfs/dbraw/zinc/84/36/61/1040843661.db2.gz HYSFTDNZSTWDFN-KGLIPLIRSA-N 1 0 311.385 3.608 20 5 DHBDRO C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000152686639 1040923395 /nfs/dbraw/zinc/92/33/95/1040923395.db2.gz ITXGUONEPPCDGJ-CQSZACIVSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000152686575 1040923493 /nfs/dbraw/zinc/92/34/93/1040923493.db2.gz ITXGUONEPPCDGJ-AWEZNQCLSA-N 1 0 305.422 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000491230650 1040970481 /nfs/dbraw/zinc/97/04/81/1040970481.db2.gz YLYPFSOFYIWUFO-CYBMUJFWSA-N 1 0 318.323 3.863 20 5 DHBDRO CS[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000602606057 1041124933 /nfs/dbraw/zinc/12/49/33/1041124933.db2.gz AJHBBEADNPYDSY-ZDUSSCGKSA-N 1 0 323.418 3.603 20 5 DHBDRO CCOC(C)(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602628708 1041137546 /nfs/dbraw/zinc/13/75/46/1041137546.db2.gz JVNRAZPGFJBSJH-UHFFFAOYSA-N 1 0 320.311 3.518 20 5 DHBDRO CCOc1cc(C[NH2+][C@H](C)c2cnc(C)s2)ccc1[N+](=O)[O-] ZINC000602956919 1041326390 /nfs/dbraw/zinc/32/63/90/1041326390.db2.gz PKPJJPAFBWJJNE-SNVBAGLBSA-N 1 0 321.402 3.609 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc3cnccc3o2)C2CC2)c1 ZINC000593565158 1041329081 /nfs/dbraw/zinc/32/90/81/1041329081.db2.gz BITFZZWZDWPFNC-UHFFFAOYSA-N 1 0 323.352 3.901 20 5 DHBDRO CCC1(CO)CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000093592065 335001454 /nfs/dbraw/zinc/00/14/54/335001454.db2.gz QLPCPVDOMWVKGR-UHFFFAOYSA-N 1 0 320.433 3.703 20 5 DHBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000042553882 183284223 /nfs/dbraw/zinc/28/42/23/183284223.db2.gz LVEPZFOKAIFUQB-NXEZZACHSA-N 1 0 315.211 3.882 20 5 DHBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193049000 335041398 /nfs/dbraw/zinc/04/13/98/335041398.db2.gz OFJFNEJXKRPFKS-IAGOWNOFSA-N 1 0 320.433 3.605 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000120533110 195185418 /nfs/dbraw/zinc/18/54/18/195185418.db2.gz QSBQAJPSJBRFCE-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000271454786 129918059 /nfs/dbraw/zinc/91/80/59/129918059.db2.gz GQTOFQNZFVNOJO-BFHYXJOUSA-N 1 0 324.446 3.623 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000271984664 129988006 /nfs/dbraw/zinc/98/80/06/129988006.db2.gz KLCINUZVOMHCEW-JKSUJKDBSA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000273354886 130111527 /nfs/dbraw/zinc/11/15/27/130111527.db2.gz BTWWZYUWDZIYQJ-GOEBONIOSA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000273448870 130124268 /nfs/dbraw/zinc/12/42/68/130124268.db2.gz YIXOGIGRBZAVAS-DOTOQJQBSA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1ccc(CNc2ccccc2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000275616752 130350996 /nfs/dbraw/zinc/35/09/96/130350996.db2.gz NWHMHORQDLIXJA-UHFFFAOYSA-N 1 0 313.401 3.619 20 5 DHBDRO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000279018458 130730441 /nfs/dbraw/zinc/73/04/41/130730441.db2.gz HLYCHYXAGUTOFV-IIYDPXPESA-N 1 0 318.417 3.722 20 5 DHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCCCF)CC2)cc1 ZINC000283922694 131033921 /nfs/dbraw/zinc/03/39/21/131033921.db2.gz CHKUUVPLKXVTLT-UHFFFAOYSA-N 1 0 310.369 3.578 20 5 DHBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000284076736 131045675 /nfs/dbraw/zinc/04/56/75/131045675.db2.gz LPYQCJGPMFMGBL-VXGBXAGGSA-N 1 0 315.373 3.597 20 5 DHBDRO CSCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000285440343 131168923 /nfs/dbraw/zinc/16/89/23/131168923.db2.gz IDIBIHMBIIUFII-UHFFFAOYSA-N 1 0 302.399 3.748 20 5 DHBDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000297155571 132001992 /nfs/dbraw/zinc/00/19/92/132001992.db2.gz COCLMRTUZDDDQO-ZYHUDNBSSA-N 1 0 320.311 3.603 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000120078391 132139598 /nfs/dbraw/zinc/13/95/98/132139598.db2.gz DIONHOVAZSBDNF-HNNXBMFYSA-N 1 0 315.329 3.744 20 5 DHBDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000077220997 331673933 /nfs/dbraw/zinc/67/39/33/331673933.db2.gz VGNZOMCCMNETQA-AWEZNQCLSA-N 1 0 314.385 3.714 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000538128115 331678813 /nfs/dbraw/zinc/67/88/13/331678813.db2.gz HOPNGGNLSJJXGJ-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000079723993 331683026 /nfs/dbraw/zinc/68/30/26/331683026.db2.gz LBVJMYWINLFQPS-RYUDHWBXSA-N 1 0 315.329 3.915 20 5 DHBDRO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000262083227 332018746 /nfs/dbraw/zinc/01/87/46/332018746.db2.gz HFQRXAALZXNBTF-FMKPAKJESA-N 1 0 305.422 3.556 20 5 DHBDRO CCC(=O)c1ccc(SCC[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000359545240 332574197 /nfs/dbraw/zinc/57/41/97/332574197.db2.gz RFXAYKIGEPFKNU-UHFFFAOYSA-N 1 0 310.419 3.621 20 5 DHBDRO Cc1cccnc1CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562789780 332626880 /nfs/dbraw/zinc/62/68/80/332626880.db2.gz YDZQYUMGFARQEA-HNNXBMFYSA-N 1 0 313.401 3.890 20 5 DHBDRO COCCC(C)(C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302181809 332984322 /nfs/dbraw/zinc/98/43/22/332984322.db2.gz ZWKPPEKNJXOWHU-UHFFFAOYSA-N 1 0 317.389 3.926 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C12CCCC2 ZINC000323353898 333019814 /nfs/dbraw/zinc/01/98/14/333019814.db2.gz JKIRIOIMSGKBJL-DLBZAZTESA-N 1 0 318.417 3.731 20 5 DHBDRO CC[C@H]([NH2+]C[C@H](CC(C)C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314060734 333084976 /nfs/dbraw/zinc/08/49/76/333084976.db2.gz AIGKPSLLIJXROF-IRXDYDNUSA-N 1 0 307.438 3.612 20 5 DHBDRO C[NH+](C)CC(C)(C)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000314069259 333085651 /nfs/dbraw/zinc/08/56/51/333085651.db2.gz BYFUXKSFUOOXDD-UHFFFAOYSA-N 1 0 319.327 3.613 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccsc2)cc1[N+](=O)[O-] ZINC000179395995 333150235 /nfs/dbraw/zinc/15/02/35/333150235.db2.gz SFKPQIFODOINFV-LBPRGKRZSA-N 1 0 320.414 3.948 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCc1nccs1 ZINC000182929971 333181542 /nfs/dbraw/zinc/18/15/42/333181542.db2.gz AXVIFQHKYUZQHB-GFCCVEGCSA-N 1 0 305.403 3.595 20 5 DHBDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000319189308 333270849 /nfs/dbraw/zinc/27/08/49/333270849.db2.gz OHMQZWMFZGNREW-UHFFFAOYSA-N 1 0 300.358 3.628 20 5 DHBDRO CCC[C@H]([NH2+]CC1(COC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000319354211 333286429 /nfs/dbraw/zinc/28/64/29/333286429.db2.gz UDSDVYIETRUOHM-INIZCTEOSA-N 1 0 306.406 3.842 20 5 DHBDRO Cc1cc(F)ccc1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000488113931 333362626 /nfs/dbraw/zinc/36/26/26/333362626.db2.gz UUXSYSLCIUDOLJ-UHFFFAOYSA-N 1 0 302.349 3.983 20 5 DHBDRO COc1cc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000323538971 333378827 /nfs/dbraw/zinc/37/88/27/333378827.db2.gz ZMONQYLPENDFIM-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000522758378 333385909 /nfs/dbraw/zinc/38/59/09/333385909.db2.gz VESXCBYJEXJESJ-UHFFFAOYSA-N 1 0 320.433 3.893 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000526063205 333390272 /nfs/dbraw/zinc/39/02/72/333390272.db2.gz QDAXVEIQMDNKKN-IONAJQSGSA-N 1 0 306.431 3.824 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)c(F)c1 ZINC000390849807 333399270 /nfs/dbraw/zinc/39/92/70/333399270.db2.gz HXJPMLDBWOHOFB-LLVKDONJSA-N 1 0 302.296 3.649 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2sccc21 ZINC000062726611 333437840 /nfs/dbraw/zinc/43/78/40/333437840.db2.gz HQYFAJOFZHZHKY-CQSZACIVSA-N 1 0 302.399 3.866 20 5 DHBDRO COC1CCC(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000531725786 333544387 /nfs/dbraw/zinc/54/43/87/333544387.db2.gz LKABKFJDDDCSCY-HLIUYOAVSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]CCn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000531697214 333547095 /nfs/dbraw/zinc/54/70/95/333547095.db2.gz QTYGWYMFXCPANV-AWEZNQCLSA-N 1 0 324.384 3.604 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)CCSC ZINC000353832215 335155270 /nfs/dbraw/zinc/15/52/70/335155270.db2.gz XBAODHWOSMDTMX-GFCCVEGCSA-N 1 0 312.435 3.567 20 5 DHBDRO COC1([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000414293674 333934875 /nfs/dbraw/zinc/93/48/75/333934875.db2.gz BRMJFLNRQDSVOP-WBMJQRKESA-N 1 0 304.390 3.519 20 5 DHBDRO COCC1CCC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000414311049 333937215 /nfs/dbraw/zinc/93/72/15/333937215.db2.gz LZAZAEDUEBFOAG-UQPPLGOBSA-N 1 0 320.433 3.711 20 5 DHBDRO CC(C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000414561229 334019185 /nfs/dbraw/zinc/01/91/85/334019185.db2.gz SCTTVMOZPKSBPZ-VMPITWQZSA-N 1 0 311.385 3.570 20 5 DHBDRO CCCCCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272498647 334035586 /nfs/dbraw/zinc/03/55/86/334035586.db2.gz GHXVOFJLAGURTC-MRXNPFEDSA-N 1 0 316.405 3.588 20 5 DHBDRO COCC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000272507129 334036090 /nfs/dbraw/zinc/03/60/90/334036090.db2.gz FNSGLRONQMBHCW-CZUORRHYSA-N 1 0 318.373 3.925 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000467435697 334157933 /nfs/dbraw/zinc/15/79/33/334157933.db2.gz ZEIQEBAGNLZMNX-ZBFHGGJFSA-N 1 0 320.433 3.743 20 5 DHBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000297402521 334241187 /nfs/dbraw/zinc/24/11/87/334241187.db2.gz KMRLIBFKGSPVLL-LBPRGKRZSA-N 1 0 316.357 3.550 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000531938897 334299655 /nfs/dbraw/zinc/29/96/55/334299655.db2.gz UBEHYOQFYAITNE-GDBMZVCRSA-N 1 0 319.449 3.676 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000531944328 334300336 /nfs/dbraw/zinc/30/03/36/334300336.db2.gz FSDPLWSUBIYEJX-INIZCTEOSA-N 1 0 319.449 3.676 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC[NH+](C(C)C)C(C)C ZINC000531947916 334302666 /nfs/dbraw/zinc/30/26/66/334302666.db2.gz MLWRFDPKYGBOJQ-HNNXBMFYSA-N 1 0 307.438 3.673 20 5 DHBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534841854 334339479 /nfs/dbraw/zinc/33/94/79/334339479.db2.gz GAINNTTUHMWVAK-SWLSCSKDSA-N 1 0 315.373 3.870 20 5 DHBDRO CC(C)[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000535072702 334364481 /nfs/dbraw/zinc/36/44/81/334364481.db2.gz XPFGYAFQXURUEP-UHFFFAOYSA-N 1 0 314.332 3.817 20 5 DHBDRO C[NH+](C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000341339850 334431616 /nfs/dbraw/zinc/43/16/16/334431616.db2.gz IDZZYKUEAYUCKN-GFCCVEGCSA-N 1 0 309.366 3.510 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000341873193 334488532 /nfs/dbraw/zinc/48/85/32/334488532.db2.gz FPNRYMODZFFJEC-HYVNUMGLSA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC2(F)CCC2)c1 ZINC000342198173 334520763 /nfs/dbraw/zinc/52/07/63/334520763.db2.gz CIWUQONNAGMGOC-UHFFFAOYSA-N 1 0 318.295 3.568 20 5 DHBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1cccc(F)c1 ZINC000187960371 334578100 /nfs/dbraw/zinc/57/81/00/334578100.db2.gz OTENKRLPEXIAOD-INIZCTEOSA-N 1 0 318.348 3.983 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)CCCC2 ZINC000417313622 334705316 /nfs/dbraw/zinc/70/53/16/334705316.db2.gz POQLDHWVGOAXKR-RPVQJOFSSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1nccs1)CCCC2 ZINC000417349067 334706263 /nfs/dbraw/zinc/70/62/63/334706263.db2.gz ZJYVEUNZQZVCAD-OAHLLOKOSA-N 1 0 317.414 3.651 20 5 DHBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330641014 334794708 /nfs/dbraw/zinc/79/47/08/334794708.db2.gz QPWNIACNIPPHKE-DZGCQCFKSA-N 1 0 306.406 3.623 20 5 DHBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000330680267 334799238 /nfs/dbraw/zinc/79/92/38/334799238.db2.gz FMBUKVIQUBAZTJ-CQSZACIVSA-N 1 0 312.797 3.543 20 5 DHBDRO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188780948 334872235 /nfs/dbraw/zinc/87/22/35/334872235.db2.gz JXTCHMQOFAONSC-OLZOCXBDSA-N 1 0 315.373 3.719 20 5 DHBDRO CCCC[N@H+](C)C[C@@H](C)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000344133037 335220257 /nfs/dbraw/zinc/22/02/57/335220257.db2.gz YADMWVFXOLYFSB-PBHICJAKSA-N 1 0 307.438 3.756 20 5 DHBDRO CCCC[N@H+](C)C[C@@H](C)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000344133038 335220444 /nfs/dbraw/zinc/22/04/44/335220444.db2.gz YADMWVFXOLYFSB-RHSMWYFYSA-N 1 0 307.438 3.756 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCCCO1 ZINC000344787021 335276961 /nfs/dbraw/zinc/27/69/61/335276961.db2.gz CJFZAVCHEZRIAU-GWKQRERASA-N 1 0 304.390 3.547 20 5 DHBDRO CCC(CC)[C@@H](CC[NH2+]Cc1csc([N+](=O)[O-])c1)OC ZINC000344832294 335278821 /nfs/dbraw/zinc/27/88/21/335278821.db2.gz VMURTJRLBIJCHB-CYBMUJFWSA-N 1 0 300.424 3.587 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1csc(C)n1 ZINC000344881449 335282544 /nfs/dbraw/zinc/28/25/44/335282544.db2.gz XJKHIVXIGYLTRD-WQLSENKSSA-N 1 0 317.414 3.595 20 5 DHBDRO C[C@@H](C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000346244790 335393997 /nfs/dbraw/zinc/39/39/97/335393997.db2.gz CLGXYRZNAVMVEP-VGVVRCBHSA-N 1 0 317.414 3.800 20 5 DHBDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332149830 336160542 /nfs/dbraw/zinc/16/05/42/336160542.db2.gz IMCCWCXHPHCRMN-AWEZNQCLSA-N 1 0 302.378 3.530 20 5 DHBDRO COCC[C@H]1CCCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000332338740 336169197 /nfs/dbraw/zinc/16/91/97/336169197.db2.gz QMVVWIOVHSQNFN-HUUCEWRRSA-N 1 0 306.406 3.794 20 5 DHBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332365101 336169839 /nfs/dbraw/zinc/16/98/39/336169839.db2.gz RCPYYAVOBIJQDW-WBMJQRKESA-N 1 0 320.389 3.520 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C12CCC2 ZINC000532522599 336252531 /nfs/dbraw/zinc/25/25/31/336252531.db2.gz KTTWYGOMISWTJH-KBRIMQKVSA-N 1 0 318.417 3.902 20 5 DHBDRO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@@H]1CCCCO1 ZINC000532714505 336268030 /nfs/dbraw/zinc/26/80/30/336268030.db2.gz OYNKIFQZMULRSI-INIZCTEOSA-N 1 0 306.406 3.684 20 5 DHBDRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192904289 336283316 /nfs/dbraw/zinc/28/33/16/336283316.db2.gz MUWRYRZCMNMSQM-LRDDRELGSA-N 1 0 306.406 3.765 20 5 DHBDRO CCC[C@@H](NC1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000192950589 336285842 /nfs/dbraw/zinc/28/58/42/336285842.db2.gz KOKKACHJHREXPW-GOSISDBHSA-N 1 0 319.449 3.898 20 5 DHBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301102861 336290167 /nfs/dbraw/zinc/29/01/67/336290167.db2.gz OQCPOJDYKMLYFM-LBPRGKRZSA-N 1 0 311.813 3.781 20 5 DHBDRO CC[N@H+](C)Cc1cccc(CNc2sccc2[N+](=O)[O-])c1 ZINC000301930137 336338514 /nfs/dbraw/zinc/33/85/14/336338514.db2.gz KHLJLFFODAEWQX-UHFFFAOYSA-N 1 0 305.403 3.720 20 5 DHBDRO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000301984232 336341383 /nfs/dbraw/zinc/34/13/83/336341383.db2.gz CBYLXDIDPVCQIK-LBPRGKRZSA-N 1 0 305.403 3.589 20 5 DHBDRO C[C@H](Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302049791 336345598 /nfs/dbraw/zinc/34/55/98/336345598.db2.gz NFFKEHMOOAXYHN-KBPBESRZSA-N 1 0 303.406 3.660 20 5 DHBDRO Cc1cccc(CCC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000352939624 336378433 /nfs/dbraw/zinc/37/84/33/336378433.db2.gz AHBVUUDINWJXKY-UITAMQMPSA-N 1 0 311.385 3.534 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1COCc2ccccc21 ZINC000418109058 336581055 /nfs/dbraw/zinc/58/10/55/336581055.db2.gz SLROWLSTMCVPBC-SZJVNEJHSA-N 1 0 324.380 3.859 20 5 DHBDRO CSc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000357842175 336600955 /nfs/dbraw/zinc/60/09/55/336600955.db2.gz UFJNVQDRSMTVTE-LBPRGKRZSA-N 1 0 317.414 3.871 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361763983 336772102 /nfs/dbraw/zinc/77/21/02/336772102.db2.gz KBUFCZBUHXRHBA-YYIAUSFCSA-N 1 0 318.417 3.839 20 5 DHBDRO CC[C@@H]([NH2+]CC1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000361922494 336778246 /nfs/dbraw/zinc/77/82/46/336778246.db2.gz AHKNYNINLSATEJ-QWFMPGPPSA-N 1 0 306.406 3.841 20 5 DHBDRO Cc1cccnc1C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000368287599 336841921 /nfs/dbraw/zinc/84/19/21/336841921.db2.gz FCGKPEVSSGMQGG-VMPITWQZSA-N 1 0 323.396 3.633 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(c2ccccn2)CCC1 ZINC000370739556 336892473 /nfs/dbraw/zinc/89/24/73/336892473.db2.gz NYKVVHLAETUJFU-VMPITWQZSA-N 1 0 323.396 3.715 20 5 DHBDRO CC[C@H]([NH2+]C[C@]1(C)CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000372095398 336921944 /nfs/dbraw/zinc/92/19/44/336921944.db2.gz ODHCIVOHDRPAKG-BZSNNMDCSA-N 1 0 318.417 3.841 20 5 DHBDRO CSC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000193809896 337080208 /nfs/dbraw/zinc/08/02/08/337080208.db2.gz UBNGEQKEMPFEKB-HNNXBMFYSA-N 1 0 320.458 3.791 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180705198 337177340 /nfs/dbraw/zinc/17/73/40/337177340.db2.gz DPBIUDBRMVWTHC-DOMZBBRYSA-N 1 0 322.405 3.756 20 5 DHBDRO CSc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000583268982 337297691 /nfs/dbraw/zinc/29/76/91/337297691.db2.gz XMNROIOYXMSNTL-UHFFFAOYSA-N 1 0 308.428 3.976 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+](CC2CCCC2)CC1 ZINC000583744798 337328500 /nfs/dbraw/zinc/32/85/00/337328500.db2.gz ZBQKNYNPILSBRQ-UHFFFAOYSA-N 1 0 321.396 3.800 20 5 DHBDRO CC1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000583894695 337384501 /nfs/dbraw/zinc/38/45/01/337384501.db2.gz FFGCRHYJNXFILF-UHFFFAOYSA-N 1 0 301.390 3.787 20 5 DHBDRO O=[N+]([O-])c1ccc(NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000073588123 337550026 /nfs/dbraw/zinc/55/00/26/337550026.db2.gz ATVFSEIVSRLEFP-UHFFFAOYSA-N 1 0 311.385 3.803 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1[N+](=O)[O-] ZINC000247150122 337558122 /nfs/dbraw/zinc/55/81/22/337558122.db2.gz RLNQTLQZFOFZMX-FAYQHZLMSA-N 1 0 304.390 3.511 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000571932913 337582280 /nfs/dbraw/zinc/58/22/80/337582280.db2.gz QYMGFRMOZRIPCO-KOMQPUFPSA-N 1 0 300.333 3.770 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000321324773 337616028 /nfs/dbraw/zinc/61/60/28/337616028.db2.gz RWSKMQFYLYSKBG-SFHVURJKSA-N 1 0 312.369 3.641 20 5 DHBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000421856712 337650488 /nfs/dbraw/zinc/65/04/88/337650488.db2.gz NYUVAUBTTLTQNX-PVAVHDDUSA-N 1 0 306.406 3.983 20 5 DHBDRO Cc1ccc([C@H](C)N[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422917691 337691203 /nfs/dbraw/zinc/69/12/03/337691203.db2.gz FNPHOEIDWCXDNV-VUCTXSBTSA-N 1 0 311.385 3.699 20 5 DHBDRO Cc1ccccc1OCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536883401 337844251 /nfs/dbraw/zinc/84/42/51/337844251.db2.gz UFPWTHFGMSHHHQ-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000122958191 337933004 /nfs/dbraw/zinc/93/30/04/337933004.db2.gz WDLORRDNSOWLMN-OCCSQVGLSA-N 1 0 314.385 3.891 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CCOCC2CCC2)cc1[N+](=O)[O-] ZINC000515361435 337986310 /nfs/dbraw/zinc/98/63/10/337986310.db2.gz YUIWDOALGZENMU-UHFFFAOYSA-N 1 0 306.406 3.625 20 5 DHBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000315563460 337990041 /nfs/dbraw/zinc/99/00/41/337990041.db2.gz KHSUOMVQVNHDNU-SNVBAGLBSA-N 1 0 319.327 3.756 20 5 DHBDRO C[C@@H](c1ccco1)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000086233154 338013691 /nfs/dbraw/zinc/01/36/91/338013691.db2.gz SEQQIQNXOPASKU-ZDUSSCGKSA-N 1 0 316.357 3.792 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426456834 338032674 /nfs/dbraw/zinc/03/26/74/338032674.db2.gz FISJWOTWGLFNIG-CZUORRHYSA-N 1 0 304.390 3.756 20 5 DHBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429768929 338089413 /nfs/dbraw/zinc/08/94/13/338089413.db2.gz QYPRZHITLPAOPM-LRDDRELGSA-N 1 0 315.373 3.918 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000430226569 338102129 /nfs/dbraw/zinc/10/21/29/338102129.db2.gz OXUIXRRVRNAKDL-HNNXBMFYSA-N 1 0 312.369 3.593 20 5 DHBDRO C[N@H+](CCSc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000432915080 338172779 /nfs/dbraw/zinc/17/27/79/338172779.db2.gz FVJMEEQOURMEKA-UHFFFAOYSA-N 1 0 302.399 3.819 20 5 DHBDRO C[N@H+](CCSCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000433019266 338176608 /nfs/dbraw/zinc/17/66/08/338176608.db2.gz JAKKFVKCYLGYRF-UHFFFAOYSA-N 1 0 316.426 3.960 20 5 DHBDRO CCC(O)(CC)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433087264 338181042 /nfs/dbraw/zinc/18/10/42/338181042.db2.gz IIXUYJMETHEOFH-MRXNPFEDSA-N 1 0 320.433 3.848 20 5 DHBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433117412 338182183 /nfs/dbraw/zinc/18/21/83/338182183.db2.gz NJJKLHIPCCZPBG-ULFGMLNVSA-N 1 0 320.433 3.704 20 5 DHBDRO CCC(CC)[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433115105 338182204 /nfs/dbraw/zinc/18/22/04/338182204.db2.gz HRDCGROEKXPNDV-DLBZAZTESA-N 1 0 320.433 3.704 20 5 DHBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433227468 338186623 /nfs/dbraw/zinc/18/66/23/338186623.db2.gz LCCDPCPVQRRVFS-OAUYIBNBSA-N 1 0 318.417 3.722 20 5 DHBDRO CC(C)(C)C[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433272315 338188865 /nfs/dbraw/zinc/18/88/65/338188865.db2.gz HPAOMMLXDXHEOQ-CJNGLKHVSA-N 1 0 320.433 3.704 20 5 DHBDRO CO[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000433291690 338189575 /nfs/dbraw/zinc/18/95/75/338189575.db2.gz VCWYTBJIDAVQFY-JKSUJKDBSA-N 1 0 306.406 3.578 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435790609 338249397 /nfs/dbraw/zinc/24/93/97/338249397.db2.gz MUJWXBWKUPFSQU-HDJSIYSDSA-N 1 0 300.333 3.770 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(C)c2ccccc2C1 ZINC000436102913 338258362 /nfs/dbraw/zinc/25/83/62/338258362.db2.gz RTUWQRBWXMNOKS-AWEZNQCLSA-N 1 0 311.385 3.608 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000442800159 338432528 /nfs/dbraw/zinc/43/25/28/338432528.db2.gz LOKKLEIKYHJLLF-CYBMUJFWSA-N 1 0 309.369 3.969 20 5 DHBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000442819120 338433440 /nfs/dbraw/zinc/43/34/40/338433440.db2.gz HSDOMRKJHWFVQR-ULQDDVLXSA-N 1 0 304.390 3.519 20 5 DHBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000194414691 338526688 /nfs/dbraw/zinc/52/66/88/338526688.db2.gz VSZWROZKWLWZMT-MLGOLLRUSA-N 1 0 300.358 3.644 20 5 DHBDRO C[C@@H](CC1CCCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446834971 338537474 /nfs/dbraw/zinc/53/74/74/338537474.db2.gz IWEHUGRRNDTXQJ-NSHDSACASA-N 1 0 302.378 3.530 20 5 DHBDRO CCCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447579431 338558769 /nfs/dbraw/zinc/55/87/69/338558769.db2.gz KRSNFBYMKGIPOB-HUUCEWRRSA-N 1 0 320.437 3.835 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c1cccc2O ZINC000449134494 338596164 /nfs/dbraw/zinc/59/61/64/338596164.db2.gz JTESZTLCTLIZCC-MLGOLLRUSA-N 1 0 312.369 3.509 20 5 DHBDRO COC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449136904 338596283 /nfs/dbraw/zinc/59/62/83/338596283.db2.gz CUUJDMCPJDQHAD-YOEHRIQHSA-N 1 0 314.385 3.503 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000449159711 338597863 /nfs/dbraw/zinc/59/78/63/338597863.db2.gz IJXCTCHXXNLZEF-AAEUAGOBSA-N 1 0 305.403 3.723 20 5 DHBDRO Cc1ccsc1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449201382 338601992 /nfs/dbraw/zinc/60/19/92/338601992.db2.gz GVEJRDHZMXLCLU-ZDUSSCGKSA-N 1 0 304.415 3.728 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCC1(F)F ZINC000449380066 338619513 /nfs/dbraw/zinc/61/95/13/338619513.db2.gz VCFRJNYTFWMGSK-TZMCWYRMSA-N 1 0 312.360 3.941 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@@H](c3cccs3)C2)cs1 ZINC000449620695 338642053 /nfs/dbraw/zinc/64/20/53/338642053.db2.gz FSESCMODPPFECS-NWDGAFQWSA-N 1 0 324.427 3.728 20 5 DHBDRO CN1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000449646199 338644093 /nfs/dbraw/zinc/64/40/93/338644093.db2.gz BAFDOSVZUHLWKK-KRWDZBQOSA-N 1 0 311.385 3.656 20 5 DHBDRO CC(C)[C@H](CO)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000451612756 338740413 /nfs/dbraw/zinc/74/04/13/338740413.db2.gz MUEHOBGMNYWYQM-JQFCIGGWSA-N 1 0 308.422 3.535 20 5 DHBDRO COC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000453229459 338811155 /nfs/dbraw/zinc/81/11/55/338811155.db2.gz RCDFOYSTVKWKOQ-INIZCTEOSA-N 1 0 304.390 3.521 20 5 DHBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C)(F)C1 ZINC000453240200 338812702 /nfs/dbraw/zinc/81/27/02/338812702.db2.gz RUSYXUVHFUSYJZ-BZUNDVKYSA-N 1 0 312.410 3.946 20 5 DHBDRO Cc1ccncc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453318376 338823846 /nfs/dbraw/zinc/82/38/46/338823846.db2.gz BKGJPAIOYLTJSF-QGZVFWFLSA-N 1 0 311.385 3.810 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453414555 338840482 /nfs/dbraw/zinc/84/04/82/338840482.db2.gz SUZXTTGMYCDSHG-YSVLISHTSA-N 1 0 306.406 3.902 20 5 DHBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)O1 ZINC000453624393 338851391 /nfs/dbraw/zinc/85/13/91/338851391.db2.gz CKHHNMZIXGIHQY-SWLSCSKDSA-N 1 0 316.357 3.512 20 5 DHBDRO Cc1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])nc1C ZINC000459683366 339042960 /nfs/dbraw/zinc/04/29/60/339042960.db2.gz ZWLZWKNLQCWYPL-CQSZACIVSA-N 1 0 313.401 3.718 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(C(F)F)CC2)c(F)c1 ZINC000459722186 339044281 /nfs/dbraw/zinc/04/42/81/339044281.db2.gz ZVZPGQNCPAVJDQ-UHFFFAOYSA-N 1 0 302.296 3.647 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000462788164 339088577 /nfs/dbraw/zinc/08/85/77/339088577.db2.gz GGCKCPMIUOZHKW-CQSZACIVSA-N 1 0 321.421 3.670 20 5 DHBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000463470909 339118997 /nfs/dbraw/zinc/11/89/97/339118997.db2.gz UEMSHJCDWYVCBR-WFASDCNBSA-N 1 0 322.380 3.897 20 5 DHBDRO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000463495421 339119561 /nfs/dbraw/zinc/11/95/61/339119561.db2.gz ZLDVTMLQDIDBGO-UHFFFAOYSA-N 1 0 310.369 3.897 20 5 DHBDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464482906 339143118 /nfs/dbraw/zinc/14/31/18/339143118.db2.gz BIJGWMBBNSXDRA-GFCCVEGCSA-N 1 0 310.369 3.611 20 5 DHBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464772982 339152421 /nfs/dbraw/zinc/15/24/21/339152421.db2.gz KBLWHFQBFBNGSD-HOTGVXAUSA-N 1 0 308.447 3.743 20 5 DHBDRO CO[C@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000467386258 339236018 /nfs/dbraw/zinc/23/60/18/339236018.db2.gz UWHIITPQOGRUDO-DYVFJYSZSA-N 1 0 306.406 3.575 20 5 DHBDRO Cc1cncc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000467730327 339244944 /nfs/dbraw/zinc/24/49/44/339244944.db2.gz ARIBVPCGSNZNHY-HNNXBMFYSA-N 1 0 313.401 3.972 20 5 DHBDRO CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467867203 339248212 /nfs/dbraw/zinc/24/82/12/339248212.db2.gz KXEMBDQYWHGLSG-GDBMZVCRSA-N 1 0 305.422 3.510 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000467997611 339250751 /nfs/dbraw/zinc/25/07/51/339250751.db2.gz DNICTKMNDCNFBL-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccsc1 ZINC000468620383 339267212 /nfs/dbraw/zinc/26/72/12/339267212.db2.gz SLBRCLWTQCORTD-UKTHLTGXSA-N 1 0 302.399 3.892 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccc(F)c1 ZINC000468628504 339267400 /nfs/dbraw/zinc/26/74/00/339267400.db2.gz QNLPPGZINRROJZ-UVTDQMKNSA-N 1 0 314.360 3.970 20 5 DHBDRO COc1ccccc1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468636080 339267658 /nfs/dbraw/zinc/26/76/58/339267658.db2.gz WWQJGDVUDRCPLA-GXDHUFHOSA-N 1 0 312.369 3.797 20 5 DHBDRO CCc1cnc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000468643469 339267770 /nfs/dbraw/zinc/26/77/70/339267770.db2.gz ZHAZOLCHPHMPKB-KPKJPENVSA-N 1 0 317.414 3.807 20 5 DHBDRO COCC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000468690462 339268779 /nfs/dbraw/zinc/26/87/79/339268779.db2.gz PPGFWDRXUWURRX-OAHLLOKOSA-N 1 0 306.406 3.542 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCc1nccs1 ZINC000470175706 339312873 /nfs/dbraw/zinc/31/28/73/339312873.db2.gz RRCADOXNYDLJDG-RAXLEYEMSA-N 1 0 317.414 3.629 20 5 DHBDRO COC1CCC([N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470173776 339312893 /nfs/dbraw/zinc/31/28/93/339312893.db2.gz FJORQVTZZKDCFX-SDNWHVSQSA-N 1 0 318.417 3.888 20 5 DHBDRO CCOC[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470174961 339312906 /nfs/dbraw/zinc/31/29/06/339312906.db2.gz OIAINSPEFDPKPC-MJSCBBHESA-N 1 0 318.417 3.747 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470949218 339332335 /nfs/dbraw/zinc/33/23/35/339332335.db2.gz WBPZSNDJOSTFHS-NRUUGDAUSA-N 1 0 302.296 3.929 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](OC)C1 ZINC000471780104 339353807 /nfs/dbraw/zinc/35/38/07/339353807.db2.gz LXEYXYGIEMDJER-MGPQQGTHSA-N 1 0 324.446 3.623 20 5 DHBDRO C[N@H+](CCCCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000471803296 339354608 /nfs/dbraw/zinc/35/46/08/339354608.db2.gz GRCNTDUDAHVXFT-UHFFFAOYSA-N 1 0 320.414 3.528 20 5 DHBDRO COc1ccsc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478489500 339516429 /nfs/dbraw/zinc/51/64/29/339516429.db2.gz NCQSMRYIIUKJNJ-LLVKDONJSA-N 1 0 306.387 3.824 20 5 DHBDRO Cc1c(C[NH2+][C@@H](c2ccc(F)cn2)C(C)C)cccc1[N+](=O)[O-] ZINC000478505375 339516825 /nfs/dbraw/zinc/51/68/25/339516825.db2.gz GDWLXEOEOIHHEH-QGZVFWFLSA-N 1 0 317.364 3.924 20 5 DHBDRO CC[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000479484313 339537543 /nfs/dbraw/zinc/53/75/43/339537543.db2.gz HCMVUDNHRHRRMM-ZWKOTPCHSA-N 1 0 320.433 3.967 20 5 DHBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000479580060 339542217 /nfs/dbraw/zinc/54/22/17/339542217.db2.gz OMRFBCMRFQXIBZ-WIVVLVHASA-N 1 0 318.417 3.791 20 5 DHBDRO CCC(=O)c1ccc(N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000480009334 339555283 /nfs/dbraw/zinc/55/52/83/339555283.db2.gz HUFYFPJOHZEZND-GFCCVEGCSA-N 1 0 321.421 3.576 20 5 DHBDRO C[C@](O)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000480455810 339573607 /nfs/dbraw/zinc/57/36/07/339573607.db2.gz WIWOVUUHGWPFRE-CNRGFGOASA-N 1 0 318.417 3.529 20 5 DHBDRO CCCC(O)(CCC)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000483293698 339660048 /nfs/dbraw/zinc/66/00/48/339660048.db2.gz DGFSYDWXUYFRFO-INIZCTEOSA-N 1 0 308.422 3.967 20 5 DHBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C12CCC2 ZINC000483714620 339672419 /nfs/dbraw/zinc/67/24/19/339672419.db2.gz PINVVOZZNKECJY-IAOVAPTHSA-N 1 0 318.417 3.902 20 5 DHBDRO CC[C@H]1C[C@@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000492193277 339893967 /nfs/dbraw/zinc/89/39/67/339893967.db2.gz NWTPEWOQVSVOQD-KBPBESRZSA-N 1 0 306.406 3.625 20 5 DHBDRO CCOC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000494230503 339944241 /nfs/dbraw/zinc/94/42/41/339944241.db2.gz KQBFRSWDTRSPBH-LBPRGKRZSA-N 1 0 320.414 3.838 20 5 DHBDRO COCC[C@@H]1CCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000502456627 340104378 /nfs/dbraw/zinc/10/43/78/340104378.db2.gz ZKTRXTPAFIVKCK-FUHWJXTLSA-N 1 0 320.433 3.712 20 5 DHBDRO COc1cc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1F ZINC000504900206 340155352 /nfs/dbraw/zinc/15/53/52/340155352.db2.gz TWNTVZWWMIMUSM-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CSC ZINC000504905499 340155531 /nfs/dbraw/zinc/15/55/31/340155531.db2.gz JMAWOBLHGGCNHE-NWDGAFQWSA-N 1 0 314.476 3.807 20 5 DHBDRO CC[NH+](CC)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000505242980 340164759 /nfs/dbraw/zinc/16/47/59/340164759.db2.gz ROXXHFABOCXNHU-UHFFFAOYSA-N 1 0 304.346 3.705 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCSCC3)s2)cc1 ZINC000506343681 340192879 /nfs/dbraw/zinc/19/28/79/340192879.db2.gz WRVFHEWEAZSHTK-UHFFFAOYSA-N 1 0 320.439 3.872 20 5 DHBDRO CC(C)[N@H+](CCO)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000506772004 340201385 /nfs/dbraw/zinc/20/13/85/340201385.db2.gz MGWSORFODNAGKU-UHFFFAOYSA-N 1 0 320.414 3.526 20 5 DHBDRO CC[C@@H]1C[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000507790119 340231583 /nfs/dbraw/zinc/23/15/83/340231583.db2.gz ABTPLEYQSFSZMS-MAUKXSAKSA-N 1 0 318.417 3.764 20 5 DHBDRO C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000510680933 340306312 /nfs/dbraw/zinc/30/63/12/340306312.db2.gz JSQYNKHJLWFUOO-GFCCVEGCSA-N 1 0 320.339 3.984 20 5 DHBDRO COCC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000510985245 340317172 /nfs/dbraw/zinc/31/71/72/340317172.db2.gz ZYDNATNBZXRSFC-RHSMWYFYSA-N 1 0 322.449 3.957 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000511039098 340319094 /nfs/dbraw/zinc/31/90/94/340319094.db2.gz ZBLVYBJYJSVPAT-FUHWJXTLSA-N 1 0 320.433 3.967 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000512164864 340350456 /nfs/dbraw/zinc/35/04/56/340350456.db2.gz NTPCGGDOYUIATD-SFHVURJKSA-N 1 0 316.401 3.796 20 5 DHBDRO COCCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000512284953 340355419 /nfs/dbraw/zinc/35/54/19/340355419.db2.gz DVJUQRZIIDPLKJ-UHFFFAOYSA-N 1 0 320.414 3.792 20 5 DHBDRO COc1ccc(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173341367 340362886 /nfs/dbraw/zinc/36/28/86/340362886.db2.gz ANDLGFTUEBCJAD-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000513027904 340389303 /nfs/dbraw/zinc/38/93/03/340389303.db2.gz QTECEUJXHHYLMR-AGLBCWCQSA-N 1 0 322.368 3.835 20 5 DHBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000189101547 340526994 /nfs/dbraw/zinc/52/69/94/340526994.db2.gz QYRBJTYONBMRBQ-NWDGAFQWSA-N 1 0 320.414 3.836 20 5 DHBDRO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236900419 340666162 /nfs/dbraw/zinc/66/61/62/340666162.db2.gz QILCYERTDDTMPY-LLVKDONJSA-N 1 0 304.346 3.752 20 5 DHBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000237382286 340670519 /nfs/dbraw/zinc/67/05/19/340670519.db2.gz XZJCUVRGARAXDM-LBPRGKRZSA-N 1 0 320.776 3.805 20 5 DHBDRO Cc1c(C[NH2+]Cc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000237603986 340672528 /nfs/dbraw/zinc/67/25/28/340672528.db2.gz LOVYMWBVGKTOFP-UHFFFAOYSA-N 1 0 322.311 3.794 20 5 DHBDRO CC[C@H]([NH2+]CCc1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000322719794 340705916 /nfs/dbraw/zinc/70/59/16/340705916.db2.gz RXYNQADFEFCQQC-SFHVURJKSA-N 1 0 314.385 3.887 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000538412178 340822024 /nfs/dbraw/zinc/82/20/24/340822024.db2.gz JJBKAZYEXRIXOV-VBHSOAQHSA-N 1 0 312.369 3.638 20 5 DHBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000538445158 340824117 /nfs/dbraw/zinc/82/41/17/340824117.db2.gz GXTZSNCKGNKSJG-SJCJKPOMSA-N 1 0 318.348 3.600 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC1CCCCC1 ZINC000539074156 340870605 /nfs/dbraw/zinc/87/06/05/340870605.db2.gz VFPQFXMRWMGQFF-CQSZACIVSA-N 1 0 306.406 3.903 20 5 DHBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000539553524 340890293 /nfs/dbraw/zinc/89/02/93/340890293.db2.gz AZBJMJHHWBEBCQ-YOEHRIQHSA-N 1 0 306.406 3.623 20 5 DHBDRO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000540191618 340922595 /nfs/dbraw/zinc/92/25/95/340922595.db2.gz RNSLNBJXEHEYGW-GTNSWQLSSA-N 1 0 300.333 3.757 20 5 DHBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000540588961 340936614 /nfs/dbraw/zinc/93/66/14/340936614.db2.gz JZHYSXCLPRWPLA-OAHLLOKOSA-N 1 0 321.421 3.646 20 5 DHBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000541385674 340969105 /nfs/dbraw/zinc/96/91/05/340969105.db2.gz GZUVEFGKSKGMEP-PXAZEXFGSA-N 1 0 316.357 3.512 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000129714832 340984246 /nfs/dbraw/zinc/98/42/46/340984246.db2.gz GRALXCLYUJAPIA-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO CS[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000542482167 341009551 /nfs/dbraw/zinc/00/95/51/341009551.db2.gz GPRWYSCACWFXAK-HEWZJLJBSA-N 1 0 308.447 3.975 20 5 DHBDRO COC1CCC(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000542682613 341017191 /nfs/dbraw/zinc/01/71/91/341017191.db2.gz FZYLAMAXJGDIAU-CBCUQQMYSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccccc1O ZINC000543251264 341038394 /nfs/dbraw/zinc/03/83/94/341038394.db2.gz YWZVWEWRJPBTDN-ZDUSSCGKSA-N 1 0 300.358 3.536 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000130989328 341055732 /nfs/dbraw/zinc/05/57/32/341055732.db2.gz FQQSYOPEULHBMI-CXAGYDPISA-N 1 0 305.422 3.508 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000544896261 341098021 /nfs/dbraw/zinc/09/80/21/341098021.db2.gz SHOGRMFCBHUFMT-HNNXBMFYSA-N 1 0 319.449 3.676 20 5 DHBDRO CC(C)(C)OCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000546659027 341177661 /nfs/dbraw/zinc/17/76/61/341177661.db2.gz LHQMHWPGUCGXFQ-GDBMZVCRSA-N 1 0 320.433 3.711 20 5 DHBDRO CCCC[NH+]1CCC(Nc2cccc(OCC)c2[N+](=O)[O-])CC1 ZINC000547279557 341203415 /nfs/dbraw/zinc/20/34/15/341203415.db2.gz SKVBXYLDYBKMOD-UHFFFAOYSA-N 1 0 321.421 3.670 20 5 DHBDRO CC[N@H+](Cc1cccs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000076458573 341207800 /nfs/dbraw/zinc/20/78/00/341207800.db2.gz UQEPZEAYCLWRNX-UHFFFAOYSA-N 1 0 306.387 3.687 20 5 DHBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000135164498 341232558 /nfs/dbraw/zinc/23/25/58/341232558.db2.gz OGMUWGCHWUNECN-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000548508514 341265027 /nfs/dbraw/zinc/26/50/27/341265027.db2.gz JIPODKRWNVFSGX-XHBSWPGZSA-N 1 0 314.389 3.624 20 5 DHBDRO COc1cc(C)ccc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548710081 341270119 /nfs/dbraw/zinc/27/01/19/341270119.db2.gz WVVBFCINRMFYEN-CQSZACIVSA-N 1 0 314.385 3.805 20 5 DHBDRO COc1cccc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000549172129 341287946 /nfs/dbraw/zinc/28/79/46/341287946.db2.gz RJBPRYONHXADCN-AWEZNQCLSA-N 1 0 314.385 3.839 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000245383755 341290178 /nfs/dbraw/zinc/29/01/78/341290178.db2.gz RHNORRUFCPBXTA-RHSMWYFYSA-N 1 0 311.385 3.842 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000245516659 341298775 /nfs/dbraw/zinc/29/87/75/341298775.db2.gz FZQDLUUTFKHVGV-DAYGRLMNSA-N 1 0 318.417 3.591 20 5 DHBDRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245520976 341299753 /nfs/dbraw/zinc/29/97/53/341299753.db2.gz KBKXAQKJQUWKOD-CVEARBPZSA-N 1 0 319.449 3.628 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000550063119 341309301 /nfs/dbraw/zinc/30/93/01/341309301.db2.gz GGPUTEGRWGOJLK-MAUKXSAKSA-N 1 0 320.433 3.695 20 5 DHBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000550409484 341316460 /nfs/dbraw/zinc/31/64/60/341316460.db2.gz JRMXUJLFNBCFLC-HNNXBMFYSA-N 1 0 304.390 3.616 20 5 DHBDRO C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000245930589 341318683 /nfs/dbraw/zinc/31/86/83/341318683.db2.gz PEJYWBCYMGZTIS-CHWSQXEVSA-N 1 0 315.373 3.728 20 5 DHBDRO CC(C)(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000551296542 341337450 /nfs/dbraw/zinc/33/74/50/341337450.db2.gz KXWWFWJUZCTEAG-GJZGRUSLSA-N 1 0 320.437 3.691 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CC2(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000552333937 341387222 /nfs/dbraw/zinc/38/72/22/341387222.db2.gz STPUKKSKDOICGH-SNVBAGLBSA-N 1 0 302.296 3.896 20 5 DHBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CS1 ZINC000575235382 341788939 /nfs/dbraw/zinc/78/89/39/341788939.db2.gz BIHWEQBJUMUNLV-FFSVYQOJSA-N 1 0 306.431 3.846 20 5 DHBDRO Cc1cccc2c(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000174447346 341827130 /nfs/dbraw/zinc/82/71/30/341827130.db2.gz NHORKWGVSBTOAL-UHFFFAOYSA-N 1 0 309.369 3.717 20 5 DHBDRO CC[C@@H]([NH2+]CCOC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000315600887 517773931 /nfs/dbraw/zinc/77/39/31/517773931.db2.gz TVOMJPJDTURDIV-QGZVFWFLSA-N 1 0 306.406 3.985 20 5 DHBDRO CCCC[N@H+](CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000131855330 520482001 /nfs/dbraw/zinc/48/20/01/520482001.db2.gz VAEIUGYKBCSUEF-LBPRGKRZSA-N 1 0 318.377 3.828 20 5 DHBDRO CCC[C@@H]([NH2+][C@H](C)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000156772960 520791886 /nfs/dbraw/zinc/79/18/86/520791886.db2.gz HDFJJLSGAGZDBJ-XOKHGSTOSA-N 1 0 306.406 3.983 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2)cc1[N+](=O)[O-] ZINC000152560625 521258245 /nfs/dbraw/zinc/25/82/45/521258245.db2.gz ZUXYKGSAKDYJRT-ZDUSSCGKSA-N 1 0 300.358 3.844 20 5 DHBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])ccc1C ZINC000266460874 522474740 /nfs/dbraw/zinc/47/47/40/522474740.db2.gz LYIUUPLRMXKYCD-ZDUSSCGKSA-N 1 0 300.358 3.763 20 5 DHBDRO COC1(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000339046026 522587359 /nfs/dbraw/zinc/58/73/59/522587359.db2.gz ZGAVSHFTYIEPSO-UHFFFAOYSA-N 1 0 304.390 3.518 20 5 DHBDRO CC[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000183988413 522587886 /nfs/dbraw/zinc/58/78/86/522587886.db2.gz GKDSHCDYJIWBAI-IRXDYDNUSA-N 1 0 306.406 3.985 20 5 DHBDRO COCc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178643461 522992643 /nfs/dbraw/zinc/99/26/43/522992643.db2.gz UQMRLCWKPLSVML-ZDUSSCGKSA-N 1 0 300.358 3.592 20 5 DHBDRO CO[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000191144945 523418302 /nfs/dbraw/zinc/41/83/02/523418302.db2.gz OLZCJUSKINWYIT-JTQLQIEISA-N 1 0 324.764 3.633 20 5 DHBDRO COc1ccc(C[NH2+]CC2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000337316700 524069812 /nfs/dbraw/zinc/06/98/12/524069812.db2.gz XPAIGJYZJJLBAI-UHFFFAOYSA-N 1 0 314.332 3.519 20 5 DHBDRO C[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000124289603 524122339 /nfs/dbraw/zinc/12/23/39/524122339.db2.gz CMTQVPUHGJHWAY-NSHDSACASA-N 1 0 303.387 3.703 20 5 DHBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccnc1Cl ZINC000268902712 525368606 /nfs/dbraw/zinc/36/86/06/525368606.db2.gz CZRROKSBZSWNKZ-NSHDSACASA-N 1 0 305.765 3.537 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000266776860 525477868 /nfs/dbraw/zinc/47/78/68/525477868.db2.gz BVOHDLAQGYOKNP-WBMJQRKESA-N 1 0 319.430 3.610 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000266846568 525496649 /nfs/dbraw/zinc/49/66/49/525496649.db2.gz IBAMTLMAERKERP-BZNIZROVSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC000337196078 525551428 /nfs/dbraw/zinc/55/14/28/525551428.db2.gz XDIZFBPGUJLMDH-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000266887510 525600324 /nfs/dbraw/zinc/60/03/24/525600324.db2.gz QLRIKOZYOIOEFT-QWHCGFSZSA-N 1 0 300.358 3.582 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000130436028 526089224 /nfs/dbraw/zinc/08/92/24/526089224.db2.gz AGULOJPKLMVQON-SJCJKPOMSA-N 1 0 312.369 3.947 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000182745005 526089980 /nfs/dbraw/zinc/08/99/80/526089980.db2.gz XPAQCXRGYUEYEQ-CXAGYDPISA-N 1 0 314.389 3.535 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189249481 526090012 /nfs/dbraw/zinc/09/00/12/526090012.db2.gz VWNSOCZWFPHKEW-KSSFIOAISA-N 1 0 318.417 3.855 20 5 DHBDRO Cc1csc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000181613983 526416746 /nfs/dbraw/zinc/41/67/46/526416746.db2.gz HLOZSRJRQLHFCR-HNNXBMFYSA-N 1 0 317.414 3.643 20 5 DHBDRO CNC(=O)CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000299330451 536490143 /nfs/dbraw/zinc/49/01/43/536490143.db2.gz LGOCNJCNYOLWLW-UHFFFAOYSA-N 1 0 306.409 3.609 20 5 DHBDRO CC[C@@H]([NH2+]CCCCC1(C)OCCO1)c1cccc([N+](=O)[O-])c1 ZINC000278371471 535803551 /nfs/dbraw/zinc/80/35/51/535803551.db2.gz CFRSRNJFNDGJCI-MRXNPFEDSA-N 1 0 322.405 3.569 20 5 DHBDRO CC[C@H]([NH2+]CC[C@@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000273184782 535905034 /nfs/dbraw/zinc/90/50/34/535905034.db2.gz FRJYTJOFJMDXSV-VBQJREDUSA-N 1 0 306.406 3.841 20 5 DHBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284301322 536902126 /nfs/dbraw/zinc/90/21/26/536902126.db2.gz YPWYDDJLTVCXPQ-RYUDHWBXSA-N 1 0 315.373 3.597 20 5 DHBDRO C[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000725263952 563570334 /nfs/dbraw/zinc/57/03/34/563570334.db2.gz WVUJFLWYTFOYAJ-SNVBAGLBSA-N 1 0 313.195 3.589 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(Cl)c1 ZINC000517736055 1013054110 /nfs/dbraw/zinc/05/41/10/1013054110.db2.gz FPRJVBYVXZNZBD-CJNGLKHVSA-N 1 0 324.808 3.639 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336868338 1013056335 /nfs/dbraw/zinc/05/63/35/1013056335.db2.gz WLKLSHXVYOMDOP-SJORKVTESA-N 1 0 306.406 3.841 20 5 DHBDRO O=[N+]([O-])c1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)s1 ZINC000610245698 1013151483 /nfs/dbraw/zinc/15/14/83/1013151483.db2.gz OANWPZGTLLTWRT-AWEZNQCLSA-N 1 0 317.414 3.905 20 5 DHBDRO C[NH+](C)CCNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001161671128 1013550190 /nfs/dbraw/zinc/55/01/90/1013550190.db2.gz LGYMXQWOMYOJFC-UHFFFAOYSA-N 1 0 317.414 3.720 20 5 DHBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000109780987 1013749364 /nfs/dbraw/zinc/74/93/64/1013749364.db2.gz OGNVQVUITJQIIJ-ZDUSSCGKSA-N 1 0 300.358 3.536 20 5 DHBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167990848 1013751623 /nfs/dbraw/zinc/75/16/23/1013751623.db2.gz AGUCNVXKCZMAMW-UHFFFAOYSA-N 1 0 316.336 3.691 20 5 DHBDRO CN1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000536023074 1013889262 /nfs/dbraw/zinc/88/92/62/1013889262.db2.gz LNSXWSCMIBEYHZ-INIZCTEOSA-N 1 0 317.776 3.847 20 5 DHBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000441444734 1013884043 /nfs/dbraw/zinc/88/40/43/1013884043.db2.gz HLBKOJPJUIIWPR-YOEHRIQHSA-N 1 0 304.390 3.628 20 5 DHBDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000610345674 1013956892 /nfs/dbraw/zinc/95/68/92/1013956892.db2.gz YIHUUKBRIBXPGR-HIFRSBDPSA-N 1 0 308.422 3.605 20 5 DHBDRO CC1(C)CC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000579489827 1014065161 /nfs/dbraw/zinc/06/51/61/1014065161.db2.gz DRURTFSTJMAUMS-AWEZNQCLSA-N 1 0 301.346 3.528 20 5 DHBDRO COc1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1F ZINC000092825379 1014092480 /nfs/dbraw/zinc/09/24/80/1014092480.db2.gz GJQUUGNBTFUNBM-NSHDSACASA-N 1 0 304.321 3.593 20 5 DHBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000441464278 1014167652 /nfs/dbraw/zinc/16/76/52/1014167652.db2.gz AIVCFAACSYKGRX-CPUCHLNUSA-N 1 0 304.390 3.627 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000275910319 1014208241 /nfs/dbraw/zinc/20/82/41/1014208241.db2.gz XACAPSPVJROUKT-CXAGYDPISA-N 1 0 304.390 3.547 20 5 DHBDRO COc1ccc(OCC[NH2+]C(C)(C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000441486123 1014247793 /nfs/dbraw/zinc/24/77/93/1014247793.db2.gz CIOYJJUQIMAAAZ-UHFFFAOYSA-N 1 0 324.421 3.787 20 5 DHBDRO CC(C)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001167424526 1014256449 /nfs/dbraw/zinc/25/64/49/1014256449.db2.gz KZNILSSWQWIYDI-HNNXBMFYSA-N 1 0 306.406 3.732 20 5 DHBDRO COC1(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000579815493 1014319815 /nfs/dbraw/zinc/31/98/15/1014319815.db2.gz YWZHPCILCMPZDE-MRXNPFEDSA-N 1 0 318.417 3.866 20 5 DHBDRO Cc1c([C@@H](C)NC2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000177836302 1014403086 /nfs/dbraw/zinc/40/30/86/1014403086.db2.gz ZPXGWXBJHIOIJX-OAHLLOKOSA-N 1 0 319.449 3.674 20 5 DHBDRO CCCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000323054013 1014527006 /nfs/dbraw/zinc/52/70/06/1014527006.db2.gz IJWZYJFFIIKYFR-UHFFFAOYSA-N 1 0 314.385 3.982 20 5 DHBDRO CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000521336675 1014689135 /nfs/dbraw/zinc/68/91/35/1014689135.db2.gz USYQEDOZKXOTIO-UHFFFAOYSA-N 1 0 314.332 3.866 20 5 DHBDRO C[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276240137 1014893410 /nfs/dbraw/zinc/89/34/10/1014893410.db2.gz UMPTYEFOZJGVDI-TUAOUCFPSA-N 1 0 316.361 3.579 20 5 DHBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000610709513 1014896824 /nfs/dbraw/zinc/89/68/24/1014896824.db2.gz VDWRHFMMYWTTLC-TZMCWYRMSA-N 1 0 317.414 3.731 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000358358440 1015024889 /nfs/dbraw/zinc/02/48/89/1015024889.db2.gz YTBKCUNHYRYQBA-GDBMZVCRSA-N 1 0 308.422 3.823 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000610517922 1015094333 /nfs/dbraw/zinc/09/43/33/1015094333.db2.gz NVVCNISHSSFRIZ-ZDUSSCGKSA-N 1 0 316.405 3.706 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000895583627 1015212015 /nfs/dbraw/zinc/21/20/15/1015212015.db2.gz MISGIMWXPGNWIP-LYKUJDHUSA-N 1 0 315.398 3.554 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2COc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000178110419 1015237975 /nfs/dbraw/zinc/23/79/75/1015237975.db2.gz AQPYZQFYUHJVEX-HIFRSBDPSA-N 1 0 312.369 3.558 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCCCO3)CC2)cc1Cl ZINC000895653690 1015242305 /nfs/dbraw/zinc/24/23/05/1015242305.db2.gz LVJKUVMNTAHRNS-UHFFFAOYSA-N 1 0 324.808 3.783 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000090910212 1015303456 /nfs/dbraw/zinc/30/34/56/1015303456.db2.gz CEVZQQHAFGKWCV-GFCCVEGCSA-N 1 0 318.348 3.636 20 5 DHBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1[N+](=O)[O-] ZINC000895846879 1015331531 /nfs/dbraw/zinc/33/15/31/1015331531.db2.gz RJLMQVJIJLEKQO-YJBOKZPZSA-N 1 0 318.417 3.719 20 5 DHBDRO Cc1[nH]c2ccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)cc2c1C ZINC000065013600 1015416002 /nfs/dbraw/zinc/41/60/02/1015416002.db2.gz PQXJMBMZRJYYAS-UHFFFAOYSA-N 1 0 309.369 3.983 20 5 DHBDRO Cc1cc(F)ncc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000891621824 1015460787 /nfs/dbraw/zinc/46/07/87/1015460787.db2.gz CRTWWFAVVZTIPF-UHFFFAOYSA-N 1 0 315.348 3.602 20 5 DHBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1 ZINC000237374970 1015491138 /nfs/dbraw/zinc/49/11/38/1015491138.db2.gz GHTHHDXPSVEULA-LBPRGKRZSA-N 1 0 320.776 3.805 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000178247893 1015514222 /nfs/dbraw/zinc/51/42/22/1015514222.db2.gz GJNRQDPXOIJJOQ-LLVKDONJSA-N 1 0 305.765 3.802 20 5 DHBDRO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000443774517 1015601251 /nfs/dbraw/zinc/60/12/51/1015601251.db2.gz AHNMELZSDZIONO-JKIFEVAISA-N 1 0 320.433 3.700 20 5 DHBDRO COCC[C@H](C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414478225 1015787888 /nfs/dbraw/zinc/78/78/88/1015787888.db2.gz FPQQPOVPXCEHEV-ZDUSSCGKSA-N 1 0 318.373 3.617 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)c1ccncc1 ZINC000610831245 1015878850 /nfs/dbraw/zinc/87/88/50/1015878850.db2.gz ZGRQKXYHOOGPJG-HUUCEWRRSA-N 1 0 313.401 3.704 20 5 DHBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000320328952 1016097384 /nfs/dbraw/zinc/09/73/84/1016097384.db2.gz HYJWZMGZCKCQMB-ZDUSSCGKSA-N 1 0 311.401 3.965 20 5 DHBDRO Cc1cnc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000277314199 1016189033 /nfs/dbraw/zinc/18/90/33/1016189033.db2.gz BSRAIHXCUOLZDH-UHFFFAOYSA-N 1 0 317.414 3.739 20 5 DHBDRO C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178532421 1016325654 /nfs/dbraw/zinc/32/56/54/1016325654.db2.gz OHRGGJJWTJOJLB-BBRMVZONSA-N 1 0 307.438 3.612 20 5 DHBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000119879536 1016401044 /nfs/dbraw/zinc/40/10/44/1016401044.db2.gz XBXGPEKHTLBEKU-AWEZNQCLSA-N 1 0 313.401 3.820 20 5 DHBDRO C[C@H](Nc1sccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611583557 1016507405 /nfs/dbraw/zinc/50/74/05/1016507405.db2.gz NYBOUXLFJQEEIB-RYUDHWBXSA-N 1 0 309.435 3.721 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOc1ccccc1 ZINC000072555593 1016556254 /nfs/dbraw/zinc/55/62/54/1016556254.db2.gz AFGSOGQXSDONKJ-AWEZNQCLSA-N 1 0 300.358 3.667 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000178564578 1016641074 /nfs/dbraw/zinc/64/10/74/1016641074.db2.gz HWTQNKHXJVZTAY-BDJLRTHQSA-N 1 0 320.776 3.632 20 5 DHBDRO CSCC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000896936717 1016942020 /nfs/dbraw/zinc/94/20/20/1016942020.db2.gz BYSZVOGODLTDDM-XQRVVYSFSA-N 1 0 306.431 3.683 20 5 DHBDRO CSCC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000896936716 1016943226 /nfs/dbraw/zinc/94/32/26/1016943226.db2.gz BYSZVOGODLTDDM-GQCTYLIASA-N 1 0 306.431 3.683 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(Cc3ccccc3)CC2)c(F)c1 ZINC000479421159 1016949394 /nfs/dbraw/zinc/94/93/94/1016949394.db2.gz IYXAMDDCGUQUGS-UHFFFAOYSA-N 1 0 300.333 3.599 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000523007779 1017032186 /nfs/dbraw/zinc/03/21/86/1017032186.db2.gz XGEJTYGTGSHBIC-INIZCTEOSA-N 1 0 314.360 3.799 20 5 DHBDRO Cc1cnc(NC2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000080247918 1032213447 /nfs/dbraw/zinc/21/34/47/1032213447.db2.gz CPQPHVAGMAUFTN-UHFFFAOYSA-N 1 0 318.421 3.507 20 5 DHBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC001171286898 1032251619 /nfs/dbraw/zinc/25/16/19/1032251619.db2.gz MQCBJIOVLNVUQB-WCQYABFASA-N 1 0 310.369 3.657 20 5 DHBDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000475199127 1017077616 /nfs/dbraw/zinc/07/76/16/1017077616.db2.gz SDKVQVJXCPKLSV-UHFFFAOYSA-N 1 0 323.396 3.993 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000773141930 1032574075 /nfs/dbraw/zinc/57/40/75/1032574075.db2.gz YIDOLKMFKARWMD-QMGNLALYSA-N 1 0 324.471 3.625 20 5 DHBDRO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000513823554 1012204020 /nfs/dbraw/zinc/20/40/20/1012204020.db2.gz WMEBYKSLVQBCBL-YXJHDRRASA-N 1 0 320.433 3.567 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccc(F)cc3)CCC2)c1 ZINC000608837279 1012338235 /nfs/dbraw/zinc/33/82/35/1012338235.db2.gz YEBZTYJOIBFLIV-UHFFFAOYSA-N 1 0 300.333 3.903 20 5 DHBDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000036937105 1032623584 /nfs/dbraw/zinc/62/35/84/1032623584.db2.gz HMTHCGLKVRNFTB-LBPRGKRZSA-N 1 0 304.777 3.969 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000154130283 1012450268 /nfs/dbraw/zinc/45/02/68/1012450268.db2.gz FMJXNONNWSPFQI-AAEUAGOBSA-N 1 0 310.419 3.540 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000515184688 1012571244 /nfs/dbraw/zinc/57/12/44/1012571244.db2.gz IJPCXCGUVFJWTL-ZBFHGGJFSA-N 1 0 318.417 3.713 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCc2ccccc2F)cccc1[N+](=O)[O-] ZINC000480088760 1017193555 /nfs/dbraw/zinc/19/35/55/1017193555.db2.gz IXUBOWAHZZQXJP-ZDUSSCGKSA-N 1 0 302.349 3.936 20 5 DHBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3CCC=CCC3)nc2c1 ZINC000897244518 1017196632 /nfs/dbraw/zinc/19/66/32/1017196632.db2.gz GPQYHTLCSSBDGS-UHFFFAOYSA-N 1 0 301.346 3.572 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(F)(F)F)CC1 ZINC000075997621 1017358157 /nfs/dbraw/zinc/35/81/57/1017358157.db2.gz OPJAOLUGPFUDPY-JTQLQIEISA-N 1 0 302.296 3.930 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000342830558 1017521818 /nfs/dbraw/zinc/52/18/18/1017521818.db2.gz WZAQZLJBLZGIIW-QGZVFWFLSA-N 1 0 324.384 3.755 20 5 DHBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CS1 ZINC000840959327 1017560184 /nfs/dbraw/zinc/56/01/84/1017560184.db2.gz SDZIHUNHBWPZPE-XVKPBYJWSA-N 1 0 321.229 3.885 20 5 DHBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444611578 1017588406 /nfs/dbraw/zinc/58/84/06/1017588406.db2.gz QSBQUCHOQDZMJQ-CYBMUJFWSA-N 1 0 316.405 3.872 20 5 DHBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444652760 1017606552 /nfs/dbraw/zinc/60/65/52/1017606552.db2.gz KCDVPQGGMZGSOM-WBMJQRKESA-N 1 0 316.405 3.872 20 5 DHBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)c1ccccc1 ZINC000444685595 1017616465 /nfs/dbraw/zinc/61/64/65/1017616465.db2.gz ANVFUZHDOXBYBQ-QWHCGFSZSA-N 1 0 324.384 3.753 20 5 DHBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000523707818 1017764345 /nfs/dbraw/zinc/76/43/45/1017764345.db2.gz VCXLUSUNAWDMDI-OAHLLOKOSA-N 1 0 306.406 3.862 20 5 DHBDRO COCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152092631 1017823981 /nfs/dbraw/zinc/82/39/81/1017823981.db2.gz ZBPDNNHYHDCHIQ-NSHDSACASA-N 1 0 306.387 3.620 20 5 DHBDRO Cc1c(C[NH+]2CCC(C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000153632957 1017914817 /nfs/dbraw/zinc/91/48/17/1017914817.db2.gz LIHAJZQYVNZMIB-UHFFFAOYSA-N 1 0 318.417 3.542 20 5 DHBDRO CC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152159440 1017983966 /nfs/dbraw/zinc/98/39/66/1017983966.db2.gz QSHMEYZFBCSVSO-MRXNPFEDSA-N 1 0 320.414 3.574 20 5 DHBDRO COc1cc(C[N@@H+]2CCCC3(CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000445865041 1017997887 /nfs/dbraw/zinc/99/78/87/1017997887.db2.gz CIOHFUNBCCGVSM-UHFFFAOYSA-N 1 0 322.380 3.899 20 5 DHBDRO C[C@@H](NCC[C@@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000184503544 1018085458 /nfs/dbraw/zinc/08/54/58/1018085458.db2.gz IBGDRLGLWZZFRD-HUUCEWRRSA-N 1 0 305.422 3.510 20 5 DHBDRO COc1cccc(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173393256 1018196374 /nfs/dbraw/zinc/19/63/74/1018196374.db2.gz KGYIFWOWTTUOTC-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000245528565 1018209129 /nfs/dbraw/zinc/20/91/29/1018209129.db2.gz QSVNWUIPYKGSOI-UONOGXRCSA-N 1 0 314.389 3.567 20 5 DHBDRO CCC1(CC)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000446713606 1018210170 /nfs/dbraw/zinc/21/01/70/1018210170.db2.gz YFPZPXDTNWLDHM-UHFFFAOYSA-N 1 0 303.362 3.748 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000173457103 1018217172 /nfs/dbraw/zinc/21/71/72/1018217172.db2.gz JKLDAYVCOOLMTL-YVEFUNNKSA-N 1 0 318.348 3.772 20 5 DHBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446829936 1018261650 /nfs/dbraw/zinc/26/16/50/1018261650.db2.gz MXQVMPPLFHYSHK-GXTWGEPZSA-N 1 0 314.389 3.553 20 5 DHBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000447068315 1018321761 /nfs/dbraw/zinc/32/17/61/1018321761.db2.gz OIRNWJRHMBVTTN-MRXNPFEDSA-N 1 0 310.369 3.515 20 5 DHBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC000525636494 1018340951 /nfs/dbraw/zinc/34/09/51/1018340951.db2.gz ADHRHUONLUBIPX-UHFFFAOYSA-N 1 0 304.390 3.630 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000525709126 1018356502 /nfs/dbraw/zinc/35/65/02/1018356502.db2.gz SMKOZPIYTVJBBE-UHFFFAOYSA-N 1 0 308.765 3.954 20 5 DHBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000245921590 1018382198 /nfs/dbraw/zinc/38/21/98/1018382198.db2.gz QVBFFEDAQHNDFI-WBQNTZJQSA-N 1 0 316.401 3.593 20 5 DHBDRO CCC[C@H]([NH2+]Cc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000174025830 1018382536 /nfs/dbraw/zinc/38/25/36/1018382536.db2.gz NQOATPFZIPBDPS-INIZCTEOSA-N 1 0 303.362 3.831 20 5 DHBDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447384462 1018384149 /nfs/dbraw/zinc/38/41/49/1018384149.db2.gz MLPOQRIDNMTGCM-LBPRGKRZSA-N 1 0 316.405 3.872 20 5 DHBDRO CC(C)COCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447515862 1018402546 /nfs/dbraw/zinc/40/25/46/1018402546.db2.gz LWEDGPMMMAPNDI-KRWDZBQOSA-N 1 0 306.406 3.625 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1Cc3ccccc3O1)CCC2 ZINC000447528636 1018404822 /nfs/dbraw/zinc/40/48/22/1018404822.db2.gz JHZSGFQCFCZOOG-FUHWJXTLSA-N 1 0 324.380 3.566 20 5 DHBDRO CC[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000447594226 1018433645 /nfs/dbraw/zinc/43/36/45/1018433645.db2.gz XSDZKJNXXNWXAT-MSOLQXFVSA-N 1 0 317.433 3.652 20 5 DHBDRO COC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000447594614 1018434797 /nfs/dbraw/zinc/43/47/97/1018434797.db2.gz HCERHWBWWINHKU-KRWDZBQOSA-N 1 0 318.417 3.911 20 5 DHBDRO COC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000174597776 1018450881 /nfs/dbraw/zinc/45/08/81/1018450881.db2.gz YWHCFQHEZJYSGH-UHFFFAOYSA-N 1 0 320.414 3.838 20 5 DHBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)n1 ZINC000926492864 1018457390 /nfs/dbraw/zinc/45/73/90/1018457390.db2.gz HLHVBEYILRMPEU-SWLSCSKDSA-N 1 0 315.373 3.800 20 5 DHBDRO Cc1cc(Br)cc(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001228157625 1018469566 /nfs/dbraw/zinc/46/95/66/1018469566.db2.gz IKESNPQQZFYVJL-LBPRGKRZSA-N 1 0 301.248 3.539 20 5 DHBDRO Cc1ccc(C[NH2+]CCSc2ccccc2)cc1[N+](=O)[O-] ZINC000037854662 1018751007 /nfs/dbraw/zinc/75/10/07/1018751007.db2.gz YBZCRZVVEACSCL-UHFFFAOYSA-N 1 0 302.399 3.785 20 5 DHBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]2CCCC[C@H]21 ZINC000611802414 1018896930 /nfs/dbraw/zinc/89/69/30/1018896930.db2.gz NUHXKDYYIGJCKE-OSAQELSMSA-N 1 0 315.373 3.747 20 5 DHBDRO CC1(C)C[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000922951335 1018935324 /nfs/dbraw/zinc/93/53/24/1018935324.db2.gz NEFCSKPRBZWCHR-HEWZJLJBSA-N 1 0 318.417 3.791 20 5 DHBDRO Cc1c(C[NH2+][C@@]2(C)CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000923024981 1018989436 /nfs/dbraw/zinc/98/94/36/1018989436.db2.gz LUVWKTABPLZCAB-SFHVURJKSA-N 1 0 312.369 3.691 20 5 DHBDRO Cc1ccc(C[NH2+][C@@]2(C)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000923026618 1018991567 /nfs/dbraw/zinc/99/15/67/1018991567.db2.gz VQJIVKWWEVSZET-SFHVURJKSA-N 1 0 312.369 3.691 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3CCC3)cs2)c1 ZINC000172116047 1019084985 /nfs/dbraw/zinc/08/49/85/1019084985.db2.gz QKUVSBZOEZWSTR-UHFFFAOYSA-N 1 0 303.387 3.608 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000255014055 1019234617 /nfs/dbraw/zinc/23/46/17/1019234617.db2.gz PPQONYVMGMBWJG-GMNBZTITSA-N 1 0 316.401 3.689 20 5 DHBDRO Cc1cnc(C(C)(C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000255291292 1019371234 /nfs/dbraw/zinc/37/12/34/1019371234.db2.gz WPXCYBUOFROOKZ-VURMDHGXSA-N 1 0 317.414 3.898 20 5 DHBDRO COc1cc(C[NH+]2C3CCCC2CCC3)c([N+](=O)[O-])cc1OC ZINC000611274154 1019431778 /nfs/dbraw/zinc/43/17/78/1019431778.db2.gz YNMXQJVTPJVDDU-UHFFFAOYSA-N 1 0 320.389 3.519 20 5 DHBDRO CC[C@@H]([NH2+]C1CCC(O)(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000611327652 1019446013 /nfs/dbraw/zinc/44/60/13/1019446013.db2.gz NZHCGFMQJKBDTL-ARWYELJZSA-N 1 0 306.406 3.719 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611350965 1019451463 /nfs/dbraw/zinc/45/14/63/1019451463.db2.gz VVZPWLPCPJVZGV-OWCLPIDISA-N 1 0 318.417 3.794 20 5 DHBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000611411629 1019476200 /nfs/dbraw/zinc/47/62/00/1019476200.db2.gz GKXMLSGOKYZQPM-JSGCOSHPSA-N 1 0 317.414 3.904 20 5 DHBDRO C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132234332 1019482542 /nfs/dbraw/zinc/48/25/42/1019482542.db2.gz AZVBCTCUYXKMII-KSSFIOAISA-N 1 0 317.433 3.732 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000611442196 1019488500 /nfs/dbraw/zinc/48/85/00/1019488500.db2.gz MUEXKOMBPPQLKT-GFCCVEGCSA-N 1 0 310.357 3.630 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3sccc32)c(F)c1 ZINC000314691968 1019746442 /nfs/dbraw/zinc/74/64/42/1019746442.db2.gz BLTIELJCZPQEFJ-AWEZNQCLSA-N 1 0 306.362 3.963 20 5 DHBDRO Cc1csc([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000727837083 1019817395 /nfs/dbraw/zinc/81/73/95/1019817395.db2.gz IIYPLCOSLPSCBU-HWPRWLFBSA-N 1 0 303.387 3.724 20 5 DHBDRO CCC[C@H]([NH2+]CCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000316362630 1019915780 /nfs/dbraw/zinc/91/57/80/1019915780.db2.gz TUCOSLXHRKWGQF-KRWDZBQOSA-N 1 0 306.406 3.985 20 5 DHBDRO CCC[C@@H](C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264175441 1032866536 /nfs/dbraw/zinc/86/65/36/1032866536.db2.gz ISOBVKMLQWXVEI-CYBMUJFWSA-N 1 0 317.389 3.913 20 5 DHBDRO CCC[C@@H]([NH2+]CC(CC)(CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000318521005 1020045073 /nfs/dbraw/zinc/04/50/73/1020045073.db2.gz BKTYJAMTSZNPEY-MRXNPFEDSA-N 1 0 308.422 3.824 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000318545325 1020045572 /nfs/dbraw/zinc/04/55/72/1020045572.db2.gz JWQZAQYHHLZEKF-VBNZEHGJSA-N 1 0 306.406 3.757 20 5 DHBDRO Cc1ccnc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c1 ZINC000327953291 1020081221 /nfs/dbraw/zinc/08/12/21/1020081221.db2.gz ANNILSRDQMZATH-UHFFFAOYSA-N 1 0 308.341 3.767 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275357 1020081304 /nfs/dbraw/zinc/08/13/04/1020081304.db2.gz VUNWDOXSBBIYDD-ZDUSSCGKSA-N 1 0 300.383 3.574 20 5 DHBDRO CC[C@H](CCO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000123810102 1020105222 /nfs/dbraw/zinc/10/52/22/1020105222.db2.gz CHMQYRHCAUIYKE-CYBMUJFWSA-N 1 0 320.414 3.574 20 5 DHBDRO Cc1c(C[N@H+](C)CCc2ccccc2F)cccc1[N+](=O)[O-] ZINC000731669736 1020133717 /nfs/dbraw/zinc/13/37/17/1020133717.db2.gz MEVMVJBULIINRG-UHFFFAOYSA-N 1 0 302.349 3.717 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000093314748 1020146976 /nfs/dbraw/zinc/14/69/76/1020146976.db2.gz IPOSJVKJEJHMDA-UHFFFAOYSA-N 1 0 306.406 3.577 20 5 DHBDRO CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000124350030 1020166074 /nfs/dbraw/zinc/16/60/74/1020166074.db2.gz WMSRRZBIPYVNSQ-KBXCAEBGSA-N 1 0 317.433 3.510 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000330680266 1020236630 /nfs/dbraw/zinc/23/66/30/1020236630.db2.gz FMBUKVIQUBAZTJ-AWEZNQCLSA-N 1 0 312.797 3.543 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000330711156 1020239661 /nfs/dbraw/zinc/23/96/61/1020239661.db2.gz PSEHKBWKZBGJJS-ZBFHGGJFSA-N 1 0 318.417 3.713 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000124957213 1020245348 /nfs/dbraw/zinc/24/53/48/1020245348.db2.gz NDCTVGFQOSJLAY-DNNBLBMLSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000922842644 1020298692 /nfs/dbraw/zinc/29/86/92/1020298692.db2.gz OKQJBFYLESGVEV-CQSZACIVSA-N 1 0 306.431 3.811 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCSC3(CCC3)C2)c(F)c1 ZINC000922846148 1020304349 /nfs/dbraw/zinc/30/43/49/1020304349.db2.gz UEXQDCMWTAJMAW-LBPRGKRZSA-N 1 0 310.394 3.642 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000280901533 1020314817 /nfs/dbraw/zinc/31/48/17/1020314817.db2.gz DVBPFGCGUVSWCQ-KSZLIROESA-N 1 0 318.417 3.500 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000280901540 1020315204 /nfs/dbraw/zinc/31/52/04/1020315204.db2.gz DVBPFGCGUVSWCQ-KZNAEPCWSA-N 1 0 318.417 3.500 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000281047497 1020322376 /nfs/dbraw/zinc/32/23/76/1020322376.db2.gz QPMUBEDPWJTLDT-KBAYOESNSA-N 1 0 318.417 3.500 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000281047494 1020322801 /nfs/dbraw/zinc/32/28/01/1020322801.db2.gz QPMUBEDPWJTLDT-JQHSSLGASA-N 1 0 318.417 3.500 20 5 DHBDRO CCCC[NH+]1CCC(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122961721 1020328961 /nfs/dbraw/zinc/32/89/61/1020328961.db2.gz ZNBFFPPKMKLGML-OAHLLOKOSA-N 1 0 319.449 3.818 20 5 DHBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1N(C)C ZINC000179408955 1020339820 /nfs/dbraw/zinc/33/98/20/1020339820.db2.gz OSVGGWYZXUYXDX-CQSZACIVSA-N 1 0 313.401 3.554 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccs1)C1CC1 ZINC000156489409 1020354381 /nfs/dbraw/zinc/35/43/81/1020354381.db2.gz LTJKKBVRLFJIDI-OAHLLOKOSA-N 1 0 302.399 3.767 20 5 DHBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000179799555 1020447740 /nfs/dbraw/zinc/44/77/40/1020447740.db2.gz OMXYFQVOPUQYNN-UHFFFAOYSA-N 1 0 300.305 3.571 20 5 DHBDRO CC(C)(CC(F)(F)F)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000614822472 1020469165 /nfs/dbraw/zinc/46/91/65/1020469165.db2.gz QNQYIDIBXJJOHW-ALCCZGGFSA-N 1 0 302.296 3.929 20 5 DHBDRO CC(C)Cc1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000162505711 1020499990 /nfs/dbraw/zinc/49/99/90/1020499990.db2.gz OTGVTUWTCQPEGF-UHFFFAOYSA-N 1 0 319.430 3.582 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCC=CO3)o2)c1 ZINC000780566000 1020509218 /nfs/dbraw/zinc/50/92/18/1020509218.db2.gz HKOHBLFXJRSTKG-OAHLLOKOSA-N 1 0 314.341 3.637 20 5 DHBDRO COc1cccc(F)c1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123194716 1020579416 /nfs/dbraw/zinc/57/94/16/1020579416.db2.gz FCLNHKANBNOJFH-LBPRGKRZSA-N 1 0 318.348 3.636 20 5 DHBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411689471 1020581024 /nfs/dbraw/zinc/58/10/24/1020581024.db2.gz FWEIDHAMKXOTDT-ZWKOTPCHSA-N 1 0 314.360 3.764 20 5 DHBDRO COCc1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892501845 1020600977 /nfs/dbraw/zinc/60/09/77/1020600977.db2.gz FVKMRKZQSVUNBP-UHFFFAOYSA-N 1 0 320.776 3.684 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000735493846 1020743292 /nfs/dbraw/zinc/74/32/92/1020743292.db2.gz RNQUILNTESNGAC-LLVKDONJSA-N 1 0 306.749 3.831 20 5 DHBDRO COC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000480657353 1020805429 /nfs/dbraw/zinc/80/54/29/1020805429.db2.gz FSNRFVHJVVIBCG-CQSZACIVSA-N 1 0 306.406 3.903 20 5 DHBDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000580740459 1020854992 /nfs/dbraw/zinc/85/49/92/1020854992.db2.gz PJKPUUWVJXUHDI-BBRMVZONSA-N 1 0 314.385 3.986 20 5 DHBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCC1CC[NH2+]CC1 ZINC000581605948 1020895850 /nfs/dbraw/zinc/89/58/50/1020895850.db2.gz IWUDOWCGJDYDCO-UHFFFAOYSA-N 1 0 312.369 3.640 20 5 DHBDRO Cc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)nc1C ZINC000414175028 1020963682 /nfs/dbraw/zinc/96/36/82/1020963682.db2.gz YTLVCAFIFVDAEZ-SFHVURJKSA-N 1 0 311.385 3.774 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccns1 ZINC000858577749 1032952308 /nfs/dbraw/zinc/95/23/08/1032952308.db2.gz QWIVHPSMVWWRMH-RYUDHWBXSA-N 1 0 305.403 3.723 20 5 DHBDRO Cc1[nH+]c2c(n1Cc1c(Cl)cccc1[N+](=O)[O-])CCCC2 ZINC000130513003 1021232907 /nfs/dbraw/zinc/23/29/07/1021232907.db2.gz DENBNMMNTRZIOC-UHFFFAOYSA-N 1 0 305.765 3.680 20 5 DHBDRO CCC(CC)C[N@H+](CC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917454514 1021267783 /nfs/dbraw/zinc/26/77/83/1021267783.db2.gz QLUCSKCCPXGIFU-UHFFFAOYSA-N 1 0 304.394 3.660 20 5 DHBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC(C)(C)CC1 ZINC000154436659 1021289600 /nfs/dbraw/zinc/28/96/00/1021289600.db2.gz MQRBWKSPLMGTAS-MRXNPFEDSA-N 1 0 306.406 3.529 20 5 DHBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000926798220 1021292741 /nfs/dbraw/zinc/29/27/41/1021292741.db2.gz XSOWLNRVGCFMLJ-AWEZNQCLSA-N 1 0 315.373 3.548 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000090844970 1021303480 /nfs/dbraw/zinc/30/34/80/1021303480.db2.gz NGEPIQKEUUBBSP-DCGLDWPTSA-N 1 0 312.369 3.810 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](C3CC3)C3CCCCC3)nc2c1 ZINC000618275011 1021341280 /nfs/dbraw/zinc/34/12/80/1021341280.db2.gz LMISSINVRJQXHY-UHFFFAOYSA-N 1 0 314.389 3.768 20 5 DHBDRO Cc1csc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000618562541 1021424704 /nfs/dbraw/zinc/42/47/04/1021424704.db2.gz CJEONDIHANASJO-HNNXBMFYSA-N 1 0 317.414 3.569 20 5 DHBDRO COCC[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414479464 1021479546 /nfs/dbraw/zinc/47/95/46/1021479546.db2.gz IDGKQJBBNBNUSE-ZDUSSCGKSA-N 1 0 318.373 3.617 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000850350858 1021483183 /nfs/dbraw/zinc/48/31/83/1021483183.db2.gz VKUAHTGXJQVHCQ-ZDUSSCGKSA-N 1 0 312.797 3.543 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000090857975 1021495325 /nfs/dbraw/zinc/49/53/25/1021495325.db2.gz RFZGHDNCEVCVRH-JGGQBBKZSA-N 1 0 322.405 3.602 20 5 DHBDRO C[C@]1(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1(F)F ZINC000850380953 1021501255 /nfs/dbraw/zinc/50/12/55/1021501255.db2.gz RNHYUCGPHYXIPU-LBPRGKRZSA-N 1 0 304.724 3.773 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695083830 1021507179 /nfs/dbraw/zinc/50/71/79/1021507179.db2.gz YFKADBVYNPGZNE-NSHDSACASA-N 1 0 304.724 3.916 20 5 DHBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154728895 1021522205 /nfs/dbraw/zinc/52/22/05/1021522205.db2.gz AVSCHGWBJOARES-LLVKDONJSA-N 1 0 300.811 3.576 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2C(C)C)cc1[N+](=O)[O-] ZINC000556124190 1021537191 /nfs/dbraw/zinc/53/71/91/1021537191.db2.gz YKEQQYMVVFWZIQ-DOTOQJQBSA-N 1 0 319.449 3.817 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCOC2CCCCC2)c1 ZINC000070168413 1021577162 /nfs/dbraw/zinc/57/71/62/1021577162.db2.gz ILCOZCOCUZYXKU-UHFFFAOYSA-N 1 0 312.797 3.687 20 5 DHBDRO C[NH+](C)[C@H]1CCOc2c(Nc3sccc3[N+](=O)[O-])cccc21 ZINC000618983952 1021605786 /nfs/dbraw/zinc/60/57/86/1021605786.db2.gz GZHCXURILXTJBI-LBPRGKRZSA-N 1 0 319.386 3.785 20 5 DHBDRO O=[N+]([O-])c1cccc(CN2CC[C@](F)(c3ccccc3)C2)c1 ZINC000517397330 1021697187 /nfs/dbraw/zinc/69/71/87/1021697187.db2.gz WZNADKOQBKKYIA-QGZVFWFLSA-N 1 0 300.333 3.666 20 5 DHBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337447503 1032999911 /nfs/dbraw/zinc/99/99/11/1032999911.db2.gz RAZKERHUDVFEFT-OAHLLOKOSA-N 1 0 324.808 3.687 20 5 DHBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000037562949 1021839988 /nfs/dbraw/zinc/83/99/88/1021839988.db2.gz UBMJLSQFTBKHCR-CQSZACIVSA-N 1 0 306.387 3.906 20 5 DHBDRO Cc1noc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000851749458 1021989694 /nfs/dbraw/zinc/98/96/94/1021989694.db2.gz ZFMSYSHKYXQXNF-HNNXBMFYSA-N 1 0 315.373 3.661 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cccc(F)n3)C2)cc1 ZINC000852135286 1022078299 /nfs/dbraw/zinc/07/82/99/1022078299.db2.gz MLYPTVDCGGOQOT-CQSZACIVSA-N 1 0 315.348 3.509 20 5 DHBDRO CC[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271460598 1022081558 /nfs/dbraw/zinc/08/15/58/1022081558.db2.gz JYMLNUBBULGUSJ-DLBZAZTESA-N 1 0 318.348 3.508 20 5 DHBDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584002 1022096221 /nfs/dbraw/zinc/09/62/21/1022096221.db2.gz ISTZGCKVMKWIDK-NVXWUHKLSA-N 1 0 320.433 3.776 20 5 DHBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCCCC1 ZINC000776581370 1022097191 /nfs/dbraw/zinc/09/71/91/1022097191.db2.gz IEKMQPQOBYHCPX-KRWDZBQOSA-N 1 0 306.406 3.673 20 5 DHBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586615 1022110364 /nfs/dbraw/zinc/11/03/64/1022110364.db2.gz OMHZFPPPJFRZLW-RRQGHBQHSA-N 1 0 306.406 3.529 20 5 DHBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586608 1022111104 /nfs/dbraw/zinc/11/11/04/1022111104.db2.gz OMHZFPPPJFRZLW-IAOVAPTHSA-N 1 0 306.406 3.529 20 5 DHBDRO CO[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCC1 ZINC001168849170 1022161049 /nfs/dbraw/zinc/16/10/49/1022161049.db2.gz WHDANYYHAHIFJP-SFHVURJKSA-N 1 0 318.417 3.764 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC001168976550 1022197523 /nfs/dbraw/zinc/19/75/23/1022197523.db2.gz DPQXUSIUOUGCRV-LEUOFYLZSA-N 1 0 302.418 3.748 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)C1 ZINC001168984755 1022199157 /nfs/dbraw/zinc/19/91/57/1022199157.db2.gz AEWSXAAJMLVVHW-GLXKALDVSA-N 1 0 314.429 3.604 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(Cl)c1F ZINC001168964654 1022201287 /nfs/dbraw/zinc/20/12/87/1022201287.db2.gz VBCPKIDYSFOYQW-GMTAPVOTSA-N 1 0 300.761 3.575 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2ccccc2)C1 ZINC001168959357 1022201662 /nfs/dbraw/zinc/20/16/62/1022201662.db2.gz VDCNAGMWXKWNJK-YJBOKZPZSA-N 1 0 310.397 3.889 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)c(Cl)c2)C1 ZINC001168967578 1022203464 /nfs/dbraw/zinc/20/34/64/1022203464.db2.gz QZEVBIUXMGDXEX-NWDGAFQWSA-N 1 0 317.216 3.571 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3Cl)CC2)C1 ZINC001168997072 1022209382 /nfs/dbraw/zinc/20/93/82/1022209382.db2.gz XGGXSRLDMZMOTL-HIFRSBDPSA-N 1 0 322.836 3.698 20 5 DHBDRO Cc1ccc(CC(C)(C)C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168997120 1022210115 /nfs/dbraw/zinc/21/01/15/1022210115.db2.gz XUOBWKKSRRYODF-IAGOWNOFSA-N 1 0 304.434 3.599 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(CC3CC3)CCC(F)(F)CC2)C1 ZINC001168999681 1022210236 /nfs/dbraw/zinc/21/02/36/1022210236.db2.gz UHWFLEWCARBTBC-KBPBESRZSA-N 1 0 316.392 3.770 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3cccc(F)c3)CCC2)C1 ZINC001168997025 1022210897 /nfs/dbraw/zinc/21/08/97/1022210897.db2.gz BBEDGIRLQDAHOF-WBVHZDCISA-N 1 0 320.408 3.574 20 5 DHBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CC2CC2)c2cccc(F)c2)C1 ZINC001169001715 1022211051 /nfs/dbraw/zinc/21/10/51/1022211051.db2.gz HXNJVKYQOMPASX-COXVUDFISA-N 1 0 306.381 3.702 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CCC2)C1 ZINC001168990704 1022218451 /nfs/dbraw/zinc/21/84/51/1022218451.db2.gz DLXQZCBMSTWOHZ-QWHCGFSZSA-N 1 0 308.809 3.754 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(CCc3ccccc3)CC2)C1 ZINC001169030420 1022218659 /nfs/dbraw/zinc/21/86/59/1022218659.db2.gz ZUGUKMRQZIDFRO-OALUTQOASA-N 1 0 316.445 3.777 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Cc3ccccc3F)CC2)C1 ZINC001169034991 1022222210 /nfs/dbraw/zinc/22/22/10/1022222210.db2.gz JNQJEDVFKJZGMX-RDJZCZTQSA-N 1 0 320.408 3.526 20 5 DHBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3Cl)CC2)C1 ZINC001169039109 1022222881 /nfs/dbraw/zinc/22/28/81/1022222881.db2.gz NDFIOWKZPUXWFJ-DZGCQCFKSA-N 1 0 322.836 3.965 20 5 DHBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000104666548 1022223414 /nfs/dbraw/zinc/22/34/14/1022223414.db2.gz HUUKXLLKBAQDPO-UHFFFAOYSA-N 1 0 315.373 3.665 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCC(C3CCC3)CC2)c1 ZINC000853124606 1022228157 /nfs/dbraw/zinc/22/81/57/1022228157.db2.gz PIRCITYIKQOIFG-PVARCSIZSA-N 1 0 318.417 3.577 20 5 DHBDRO C[N@H+](Cc1cc(Cl)cc(Cl)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169048697 1022229757 /nfs/dbraw/zinc/22/97/57/1022229757.db2.gz AQLFKEAVWFOZLV-IINYFYTJSA-N 1 0 317.216 3.871 20 5 DHBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000853411451 1022269898 /nfs/dbraw/zinc/26/98/98/1022269898.db2.gz MXFYPFVWIBVPKB-NEPJUHHUSA-N 1 0 313.348 3.817 20 5 DHBDRO Cc1c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC001169148955 1022280137 /nfs/dbraw/zinc/28/01/37/1022280137.db2.gz XCNLJRAUZKLDCF-GUYCJALGSA-N 1 0 323.412 3.998 20 5 DHBDRO COCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000609705197 1022336218 /nfs/dbraw/zinc/33/62/18/1022336218.db2.gz DWBANCZDINUZRS-UHFFFAOYSA-N 1 0 312.797 3.639 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800544 1022352688 /nfs/dbraw/zinc/35/26/88/1022352688.db2.gz MTIHKGXUQDOXCR-KRWDZBQOSA-N 1 0 314.410 3.885 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc2ccccc2n1 ZINC000538388350 1033048112 /nfs/dbraw/zinc/04/81/12/1033048112.db2.gz ZWEKYJKWGIYQPX-VMPITWQZSA-N 1 0 319.364 3.946 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000610079928 1022416721 /nfs/dbraw/zinc/41/67/21/1022416721.db2.gz CGGUQQFCQMFAAA-UHFFFAOYSA-N 1 0 316.788 3.849 20 5 DHBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC001169553365 1022448661 /nfs/dbraw/zinc/44/86/61/1022448661.db2.gz CNWDZKXQXNFYDY-WMLDXEAASA-N 1 0 306.406 3.922 20 5 DHBDRO COCC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000615836075 1022567956 /nfs/dbraw/zinc/56/79/56/1022567956.db2.gz OEJJBUWLNIRYJO-NTCAYCPXSA-N 1 0 318.417 3.889 20 5 DHBDRO C[C@H](CCCCO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417354133 1022699686 /nfs/dbraw/zinc/69/96/86/1022699686.db2.gz YXKYJYSAHKAFAL-CXAGYDPISA-N 1 0 306.406 3.503 20 5 DHBDRO CC(C)OCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000184168172 1022752328 /nfs/dbraw/zinc/75/23/28/1022752328.db2.gz XDSMFNYXZITCNA-UHFFFAOYSA-N 1 0 320.414 3.838 20 5 DHBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000184366320 1022845379 /nfs/dbraw/zinc/84/53/79/1022845379.db2.gz WQCUFKRPVCOMSU-AWEZNQCLSA-N 1 0 305.403 3.643 20 5 DHBDRO Cc1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000856808422 1022873911 /nfs/dbraw/zinc/87/39/11/1022873911.db2.gz ZSMZOBLCYQTMMO-LLVKDONJSA-N 1 0 303.189 3.577 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000876559481 1033091688 /nfs/dbraw/zinc/09/16/88/1033091688.db2.gz ABYZNIZNQNTQLV-UHFFFAOYSA-N 1 0 319.449 3.516 20 5 DHBDRO CC[N@H+](CCc1ccccn1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768543026 1022985945 /nfs/dbraw/zinc/98/59/45/1022985945.db2.gz VHXSDBOJFNBVEM-UHFFFAOYSA-N 1 0 319.792 3.708 20 5 DHBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167752339 1023031637 /nfs/dbraw/zinc/03/16/37/1023031637.db2.gz FHPVNUBPKOHBFV-CYBMUJFWSA-N 1 0 316.405 3.753 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000181406840 1023082788 /nfs/dbraw/zinc/08/27/88/1023082788.db2.gz PNAOUDFMVRJIEE-QZTJIDSGSA-N 1 0 314.385 3.678 20 5 DHBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc2ccccc21 ZINC000783254614 1023099843 /nfs/dbraw/zinc/09/98/43/1023099843.db2.gz HFOHXRFHNQGWDC-GOSISDBHSA-N 1 0 324.384 3.685 20 5 DHBDRO COC[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000769459538 1023159918 /nfs/dbraw/zinc/15/99/18/1023159918.db2.gz GDNODLXLUGMVIY-GOSISDBHSA-N 1 0 321.420 3.840 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000770097441 1023274317 /nfs/dbraw/zinc/27/43/17/1023274317.db2.gz TXFBDFAMJLUHDS-ZDUSSCGKSA-N 1 0 323.824 3.621 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000859542938 1033163481 /nfs/dbraw/zinc/16/34/81/1033163481.db2.gz RFMJQBWTXBIZDR-OLZOCXBDSA-N 1 0 312.822 3.718 20 5 DHBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000788534724 1023908003 /nfs/dbraw/zinc/90/80/03/1023908003.db2.gz IZMILYNRHWEIKE-YCRPNKLZSA-N 1 0 321.420 3.623 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000788684774 1023919087 /nfs/dbraw/zinc/91/90/87/1023919087.db2.gz FADHEDMVPPTXNS-YMTOWFKASA-N 1 0 318.377 3.584 20 5 DHBDRO CC(C)CSCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788685728 1023919866 /nfs/dbraw/zinc/91/98/66/1023919866.db2.gz KOHHPKQJPKHPTK-GFCCVEGCSA-N 1 0 311.451 3.607 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)c2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000789519146 1024106972 /nfs/dbraw/zinc/10/69/72/1024106972.db2.gz WVHJAJJBYTWATO-LLVKDONJSA-N 1 0 305.765 3.802 20 5 DHBDRO CCC[C@@H](NCc1cn2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000268717900 1024146502 /nfs/dbraw/zinc/14/65/02/1024146502.db2.gz JHAJKGRRAJNUCH-QGZVFWFLSA-N 1 0 324.384 3.874 20 5 DHBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000268733073 1024148930 /nfs/dbraw/zinc/14/89/30/1024148930.db2.gz CQALZTIZDVVKTC-IAGOWNOFSA-N 1 0 318.348 3.508 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000268969301 1024207120 /nfs/dbraw/zinc/20/71/20/1024207120.db2.gz HYTCKYOOALAYHR-MLGOLLRUSA-N 1 0 320.414 3.523 20 5 DHBDRO CCCCC1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876971361 1033193881 /nfs/dbraw/zinc/19/38/81/1033193881.db2.gz OKXPKTFJOJXKDX-UHFFFAOYSA-N 1 0 320.437 3.833 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCC(F)(F)F ZINC000269008118 1024221459 /nfs/dbraw/zinc/22/14/59/1024221459.db2.gz WQHJILGXTUCZRF-NSHDSACASA-N 1 0 304.312 3.848 20 5 DHBDRO Cc1ccc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000531685379 1024272329 /nfs/dbraw/zinc/27/23/29/1024272329.db2.gz ZJIQEZPUPYYMON-CYBMUJFWSA-N 1 0 302.374 3.650 20 5 DHBDRO C[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883274730 1024344738 /nfs/dbraw/zinc/34/47/38/1024344738.db2.gz SRIUEGOVEOHLMK-PWSUYJOCSA-N 1 0 313.348 3.653 20 5 DHBDRO Cc1c(C[NH2+][C@@H]2CCOc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000790696502 1024356990 /nfs/dbraw/zinc/35/69/90/1024356990.db2.gz SWEOGWPKADRBCS-OAHLLOKOSA-N 1 0 316.332 3.656 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCCOC1 ZINC000883351414 1024397017 /nfs/dbraw/zinc/39/70/17/1024397017.db2.gz FLHIHJWHPXNRLR-KEYYUXOJSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883355929 1024398887 /nfs/dbraw/zinc/39/88/87/1024398887.db2.gz AHWVATRECQRMAL-HOCLYGCPSA-N 1 0 318.417 3.607 20 5 DHBDRO Cc1c(C[NH2+][C@H](C)CCCc2cccnc2)cccc1[N+](=O)[O-] ZINC000453217988 1024406878 /nfs/dbraw/zinc/40/68/78/1024406878.db2.gz RRONVPQNFBTNRX-CQSZACIVSA-N 1 0 313.401 3.799 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC[C@]23CCCO3)cccc1[N+](=O)[O-] ZINC000883368637 1024407183 /nfs/dbraw/zinc/40/71/83/1024407183.db2.gz WAALBXHBGPQNEQ-XYPHTWIQSA-N 1 0 304.390 3.656 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000453305684 1024453148 /nfs/dbraw/zinc/45/31/48/1024453148.db2.gz ACHMMXCMQHVXBH-CABCVRRESA-N 1 0 318.417 3.903 20 5 DHBDRO C[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453310614 1024455771 /nfs/dbraw/zinc/45/57/71/1024455771.db2.gz FPMYPKNRZALGAT-ZIAGYGMSSA-N 1 0 304.390 3.595 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000453352211 1024476059 /nfs/dbraw/zinc/47/60/59/1024476059.db2.gz INXUUFMFFFKYGS-PBHICJAKSA-N 1 0 320.458 3.745 20 5 DHBDRO CCC[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453353453 1024479078 /nfs/dbraw/zinc/47/90/78/1024479078.db2.gz HXTGUJQWPTWRLS-ROUUACIJSA-N 1 0 318.417 3.939 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000453395137 1024512630 /nfs/dbraw/zinc/51/26/30/1024512630.db2.gz XCYFDLPGSFKFPT-ZDUSSCGKSA-N 1 0 306.406 3.577 20 5 DHBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cn[nH]c1 ZINC000271515704 1024528010 /nfs/dbraw/zinc/52/80/10/1024528010.db2.gz NSCYMDVEXMSXFC-WCQYABFASA-N 1 0 320.418 3.539 20 5 DHBDRO CC1(C)C[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000453449287 1024530186 /nfs/dbraw/zinc/53/01/86/1024530186.db2.gz ZUYICESHQOEYEK-SUMWQHHRSA-N 1 0 318.417 3.767 20 5 DHBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000271568233 1024541602 /nfs/dbraw/zinc/54/16/02/1024541602.db2.gz WTEDTKPQYZVVDM-BONVTDFDSA-N 1 0 324.377 3.661 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000532188090 1024570678 /nfs/dbraw/zinc/57/06/78/1024570678.db2.gz AKRCRWMPHOMCKJ-HZPDHXFCSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000532202439 1024574372 /nfs/dbraw/zinc/57/43/72/1024574372.db2.gz CMSKSQKAPKTJAA-CRAIPNDOSA-N 1 0 319.449 3.674 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000532202580 1024575074 /nfs/dbraw/zinc/57/50/74/1024575074.db2.gz XHFZFRTXRXKGFH-GOEBONIOSA-N 1 0 307.438 3.530 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000532202441 1024575688 /nfs/dbraw/zinc/57/56/88/1024575688.db2.gz CMSKSQKAPKTJAA-QAPCUYQASA-N 1 0 319.449 3.674 20 5 DHBDRO CC[NH+]1CCC(CNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000318998727 1024666583 /nfs/dbraw/zinc/66/65/83/1024666583.db2.gz JQILBMJEPLCINE-UHFFFAOYSA-N 1 0 313.348 3.676 20 5 DHBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H]2CC2(Cl)Cl)cc1 ZINC000877069447 1033228125 /nfs/dbraw/zinc/22/81/25/1033228125.db2.gz KEVMGRKUIDXXKU-LBPRGKRZSA-N 1 0 317.216 3.701 20 5 DHBDRO CCc1ccccc1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001170194401 1024696295 /nfs/dbraw/zinc/69/62/95/1024696295.db2.gz MTWAGSUEBUONGS-UHFFFAOYSA-N 1 0 312.413 3.874 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC001170298385 1024729485 /nfs/dbraw/zinc/72/94/85/1024729485.db2.gz KTKUZNIEWQUHHZ-LLVKDONJSA-N 1 0 320.414 3.694 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC001170305294 1024732001 /nfs/dbraw/zinc/73/20/01/1024732001.db2.gz ITHIZWYXBKBSLX-ZIAGYGMSSA-N 1 0 308.422 3.949 20 5 DHBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC001170304696 1024732176 /nfs/dbraw/zinc/73/21/76/1024732176.db2.gz FXLBEZZGMYSKHB-CHWSQXEVSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)CC2CC2)c([N+](=O)[O-])c1 ZINC001170321358 1024741425 /nfs/dbraw/zinc/74/14/25/1024741425.db2.gz ASGUVNBNHWLGQL-LBPRGKRZSA-N 1 0 306.406 3.703 20 5 DHBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328305 1024743747 /nfs/dbraw/zinc/74/37/47/1024743747.db2.gz JBTHJSTVNGXQSQ-UONOGXRCSA-N 1 0 306.406 3.656 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170336315 1024745238 /nfs/dbraw/zinc/74/52/38/1024745238.db2.gz WGJFXUKGLQQJSZ-SUMWQHHRSA-N 1 0 324.396 3.749 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@](C)(F)CC2)c([N+](=O)[O-])c1 ZINC001170330050 1024745285 /nfs/dbraw/zinc/74/52/85/1024745285.db2.gz XGVXQWNYIJANST-GUYCJALGSA-N 1 0 324.396 3.749 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329878 1024746673 /nfs/dbraw/zinc/74/66/73/1024746673.db2.gz WHEAEZIAJHVJMC-IHRRRGAJSA-N 1 0 306.406 3.797 20 5 DHBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000111310756 1024752851 /nfs/dbraw/zinc/75/28/51/1024752851.db2.gz GZNWEQZSGXLGFD-HNNXBMFYSA-N 1 0 317.414 3.869 20 5 DHBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170345738 1024756360 /nfs/dbraw/zinc/75/63/60/1024756360.db2.gz LIUYOTNIDBNINF-IHRRRGAJSA-N 1 0 306.406 3.655 20 5 DHBDRO COc1ccc(C[C@H](C)[NH+]2CCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC001170345420 1024757742 /nfs/dbraw/zinc/75/77/42/1024757742.db2.gz KEAITHCXTSCCPG-ZDUSSCGKSA-N 1 0 306.406 3.656 20 5 DHBDRO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000113314780 1024798586 /nfs/dbraw/zinc/79/85/86/1024798586.db2.gz BSIQMOHSLPZJOU-SNVBAGLBSA-N 1 0 303.387 3.606 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC34CCCC4)nc2c1 ZINC000353230281 1024993674 /nfs/dbraw/zinc/99/36/74/1024993674.db2.gz LQEIYBJYSDTJLD-HNNXBMFYSA-N 1 0 314.389 3.674 20 5 DHBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000269694182 1025009074 /nfs/dbraw/zinc/00/90/74/1025009074.db2.gz WGJREWZSSFLUMJ-HOTGVXAUSA-N 1 0 318.398 3.527 20 5 DHBDRO CCCCOCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134912798 1025139702 /nfs/dbraw/zinc/13/97/02/1025139702.db2.gz GFYLKWJNBWJXGP-UHFFFAOYSA-N 1 0 300.786 3.545 20 5 DHBDRO CC[N@H+](CCCO)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000353647578 1025174787 /nfs/dbraw/zinc/17/47/87/1025174787.db2.gz LPGACPLSBWNRPN-UHFFFAOYSA-N 1 0 320.414 3.528 20 5 DHBDRO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897461314 1025362422 /nfs/dbraw/zinc/36/24/22/1025362422.db2.gz ZULOYGOLOCUUNK-SOUVJXGZSA-N 1 0 306.406 3.636 20 5 DHBDRO C[C@@H](C[NH2+]Cc1nc(C(C)(C)C)co1)c1ccccc1[N+](=O)[O-] ZINC000897460406 1025362433 /nfs/dbraw/zinc/36/24/33/1025362433.db2.gz RVJQHULMKWUOLN-LBPRGKRZSA-N 1 0 317.389 3.774 20 5 DHBDRO C[C@H](C[NH2+]Cc1nc(C(C)(C)C)co1)c1ccccc1[N+](=O)[O-] ZINC000897460405 1025362917 /nfs/dbraw/zinc/36/29/17/1025362917.db2.gz RVJQHULMKWUOLN-GFCCVEGCSA-N 1 0 317.389 3.774 20 5 DHBDRO C[C@@H](C[NH2+][C@H]1CCCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000897463065 1025365887 /nfs/dbraw/zinc/36/58/87/1025365887.db2.gz ASAWZTHMMISHAH-BBRMVZONSA-N 1 0 311.385 3.761 20 5 DHBDRO COCc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000897465766 1025369018 /nfs/dbraw/zinc/36/90/18/1025369018.db2.gz HWKBOJJXGUCDLD-AWEZNQCLSA-N 1 0 314.385 3.635 20 5 DHBDRO C[C@H](C[NH2+]CC1=Cc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000897469409 1025400531 /nfs/dbraw/zinc/40/05/31/1025400531.db2.gz JSKFKPIJURNJHY-CQSZACIVSA-N 1 0 324.380 3.764 20 5 DHBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000885983905 1025427027 /nfs/dbraw/zinc/42/70/27/1025427027.db2.gz STQDCJDQSPNIRZ-MRXNPFEDSA-N 1 0 311.385 3.760 20 5 DHBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886014093 1025438825 /nfs/dbraw/zinc/43/88/25/1025438825.db2.gz BWHGTUSGCIDNSU-HOCLYGCPSA-N 1 0 311.385 3.676 20 5 DHBDRO CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000137072216 1025497547 /nfs/dbraw/zinc/49/75/47/1025497547.db2.gz ZMTLXCWCJZKRIS-WBVHZDCISA-N 1 0 306.406 3.529 20 5 DHBDRO C[N@H+](CCSc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000432924714 1025741007 /nfs/dbraw/zinc/74/10/07/1025741007.db2.gz NHOOKGWONZWWLF-UHFFFAOYSA-N 1 0 302.399 3.819 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CC3(CCC3)CO2)cccc1[N+](=O)[O-] ZINC000886700506 1025811171 /nfs/dbraw/zinc/81/11/71/1025811171.db2.gz ATLWHEMQPIUVCJ-ZIAGYGMSSA-N 1 0 304.390 3.513 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000084137384 1025993668 /nfs/dbraw/zinc/99/36/68/1025993668.db2.gz HYBORWJJPWKRGD-UHFFFAOYSA-N 1 0 302.296 3.759 20 5 DHBDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000356274852 1026004236 /nfs/dbraw/zinc/00/42/36/1026004236.db2.gz RYMUGHXQOVMPLQ-YVEFUNNKSA-N 1 0 318.348 3.600 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC2CCC2)CC1 ZINC000419281393 1026087275 /nfs/dbraw/zinc/08/72/75/1026087275.db2.gz GRABMIKQXUNRNT-CYBMUJFWSA-N 1 0 304.390 3.689 20 5 DHBDRO COc1cc(F)cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000090972072 1026090287 /nfs/dbraw/zinc/09/02/87/1026090287.db2.gz IVZUVGLUOZQDIQ-GFCCVEGCSA-N 1 0 318.348 3.902 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289853372 1026201280 /nfs/dbraw/zinc/20/12/80/1026201280.db2.gz QKURNTJARZUOOC-KCXAZCMYSA-N 1 0 304.390 3.545 20 5 DHBDRO COCCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000151017155 1026226931 /nfs/dbraw/zinc/22/69/31/1026226931.db2.gz DJJAYTOEKSZPOB-CQSZACIVSA-N 1 0 306.406 3.842 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000576399653 1026280010 /nfs/dbraw/zinc/28/00/10/1026280010.db2.gz YGCUWEUHRYQGPP-QWSHFYNQSA-N 1 0 323.396 3.883 20 5 DHBDRO CC(C)CC1(C)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000808779778 1026390753 /nfs/dbraw/zinc/39/07/53/1026390753.db2.gz AGFZRJZOBSQHCK-KRWDZBQOSA-N 1 0 320.433 3.776 20 5 DHBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000283999500 1026498455 /nfs/dbraw/zinc/49/84/55/1026498455.db2.gz GQMUDYZFPNAEIC-UHFFFAOYSA-N 1 0 315.329 3.528 20 5 DHBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1Br ZINC001225570189 1026639577 /nfs/dbraw/zinc/63/95/77/1026639577.db2.gz VRPBPOVGGKPBNO-SECBINFHSA-N 1 0 307.639 3.576 20 5 DHBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420272210 1026795907 /nfs/dbraw/zinc/79/59/07/1026795907.db2.gz DFCSTPBIMWETPB-UWVGGRQHSA-N 1 0 317.311 3.543 20 5 DHBDRO CC[C@@H]1C[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000421384466 1026976507 /nfs/dbraw/zinc/97/65/07/1026976507.db2.gz MMUVCSMLMLJADD-QSNQCMLGSA-N 1 0 304.390 3.545 20 5 DHBDRO Cc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc(C)n1 ZINC000421849262 1027077046 /nfs/dbraw/zinc/07/70/46/1027077046.db2.gz BQMNYPKFOIERSF-GOSISDBHSA-N 1 0 311.385 3.774 20 5 DHBDRO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000811840385 1027099433 /nfs/dbraw/zinc/09/94/33/1027099433.db2.gz DULXNOQZZMGYPS-MLGOLLRUSA-N 1 0 317.364 3.837 20 5 DHBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(F)c(F)cc1F ZINC000561967216 1027149405 /nfs/dbraw/zinc/14/94/05/1027149405.db2.gz BHONZCRPFMHVJT-UHFFFAOYSA-N 1 0 324.302 3.687 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362384841 1027175051 /nfs/dbraw/zinc/17/50/51/1027175051.db2.gz MLUJRNNCQLBQDM-ZIAGYGMSSA-N 1 0 324.446 3.580 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000562059209 1027204036 /nfs/dbraw/zinc/20/40/36/1027204036.db2.gz TWXOGGTUJXUUTJ-UKMLZYKCSA-N 1 0 306.381 3.786 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)C1CCCCC1)CCC2 ZINC000573911271 1027340733 /nfs/dbraw/zinc/34/07/33/1027340733.db2.gz XPFUJQOAWAVJLE-ZWKOTPCHSA-N 1 0 318.417 3.503 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+]C2(C3CC3)CC2)c1 ZINC000575818585 1027506450 /nfs/dbraw/zinc/50/64/50/1027506450.db2.gz RALUKLXPCJSQCS-UHFFFAOYSA-N 1 0 300.280 3.646 20 5 DHBDRO C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423345646 1027506974 /nfs/dbraw/zinc/50/69/74/1027506974.db2.gz FZHKDQSVJMDHGX-XIKOKIGWSA-N 1 0 311.385 3.905 20 5 DHBDRO COc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1C ZINC000932577078 1027552110 /nfs/dbraw/zinc/55/21/10/1027552110.db2.gz ZNYFFFPAJRMQRQ-LBPRGKRZSA-N 1 0 318.348 3.902 20 5 DHBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000576606589 1027637494 /nfs/dbraw/zinc/63/74/94/1027637494.db2.gz NGXYUUXLIZQWHF-LBPRGKRZSA-N 1 0 302.827 3.822 20 5 DHBDRO CCCOC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000577104572 1027707541 /nfs/dbraw/zinc/70/75/41/1027707541.db2.gz NNQHYFQDHSMAQE-UHFFFAOYSA-N 1 0 312.435 3.875 20 5 DHBDRO COc1ccc(C[N@H+](C2CC2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000047903708 1027731097 /nfs/dbraw/zinc/73/10/97/1027731097.db2.gz JSGASPSTAZLQLO-UHFFFAOYSA-N 1 0 304.390 3.901 20 5 DHBDRO CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccc(C)cc1 ZINC000577259359 1027737281 /nfs/dbraw/zinc/73/72/81/1027737281.db2.gz SAEXATUHSAYSFU-UHFFFAOYSA-N 1 0 324.384 3.802 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H](OCC3CC3)C2)c1 ZINC000778173325 1027738945 /nfs/dbraw/zinc/73/89/45/1027738945.db2.gz SQPOUOCCDLOFGZ-HNNXBMFYSA-N 1 0 324.808 3.639 20 5 DHBDRO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000448361129 1027755605 /nfs/dbraw/zinc/75/56/05/1027755605.db2.gz VWWGJIGLTGOWPT-ZBFHGGJFSA-N 1 0 320.433 3.844 20 5 DHBDRO C[NH+](C)Cc1cccc(NCc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000600851343 1027867551 /nfs/dbraw/zinc/86/75/51/1027867551.db2.gz ZKUIRTFASRVLLK-UHFFFAOYSA-N 1 0 321.327 3.547 20 5 DHBDRO CCC[N@H+](CC(N)=O)Cc1c2ccccc2cc2ccccc21 ZINC000814177481 1027916555 /nfs/dbraw/zinc/91/65/55/1027916555.db2.gz DGDHUUIUPYYUEA-UHFFFAOYSA-N 1 0 306.409 3.690 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC(C(F)(F)F)C1 ZINC000563414937 1028035528 /nfs/dbraw/zinc/03/55/28/1028035528.db2.gz BASAEWJXAZQRBG-KWPJZBAWSA-N 1 0 300.280 3.513 20 5 DHBDRO COc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000601272512 1028051676 /nfs/dbraw/zinc/05/16/76/1028051676.db2.gz GGQNFXYTGGXPMG-SJKOYZFVSA-N 1 0 312.369 3.942 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934836991 1028124616 /nfs/dbraw/zinc/12/46/16/1028124616.db2.gz QHVVXEJQXOOQKY-OWCLPIDISA-N 1 0 318.417 3.794 20 5 DHBDRO CC(C)c1[nH+]c(CNCc2ccccc2[N+](=O)[O-])c2ccccn21 ZINC000563891760 1028229465 /nfs/dbraw/zinc/22/94/65/1028229465.db2.gz MOGVLHMKOIJNMH-UHFFFAOYSA-N 1 0 324.384 3.656 20 5 DHBDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564149148 1028327200 /nfs/dbraw/zinc/32/72/00/1028327200.db2.gz SUNAHMPTTXRLQP-BVGQSLNGSA-N 1 0 313.401 3.787 20 5 DHBDRO CO[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000449086761 1028328738 /nfs/dbraw/zinc/32/87/38/1028328738.db2.gz TVDQVRVTDOHNTG-KBXCAEBGSA-N 1 0 314.385 3.503 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(F)cc(F)c1 ZINC000449076814 1028339310 /nfs/dbraw/zinc/33/93/10/1028339310.db2.gz XZDJZKAXWUSFLG-LLVKDONJSA-N 1 0 306.312 3.594 20 5 DHBDRO COC1(CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000815063889 1028346837 /nfs/dbraw/zinc/34/68/37/1028346837.db2.gz SVAKHEHMRGQSKS-UHFFFAOYSA-N 1 0 312.797 3.639 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)Oc1ccccc1 ZINC000449156142 1028407733 /nfs/dbraw/zinc/40/77/33/1028407733.db2.gz NOAVPWIVXONUMQ-HUUCEWRRSA-N 1 0 314.385 3.583 20 5 DHBDRO Cc1ccc2[nH]c(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])nc2c1 ZINC000449168826 1028412301 /nfs/dbraw/zinc/41/23/01/1028412301.db2.gz BQDWLATWRRRUBQ-CYBMUJFWSA-N 1 0 324.384 3.500 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CSc2ccccc21 ZINC000449159306 1028421441 /nfs/dbraw/zinc/42/14/41/1028421441.db2.gz ZEBSKKBDWFJCKO-IUODEOHRSA-N 1 0 314.410 3.962 20 5 DHBDRO COc1cc(C)ccc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449190523 1028427700 /nfs/dbraw/zinc/42/77/00/1028427700.db2.gz JCTUHIQQIRIPAA-AWEZNQCLSA-N 1 0 314.385 3.633 20 5 DHBDRO CC(C)c1csc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449193729 1028433341 /nfs/dbraw/zinc/43/33/41/1028433341.db2.gz NTCOUJCEUDGDPD-GFCCVEGCSA-N 1 0 319.430 3.896 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000449308165 1028526602 /nfs/dbraw/zinc/52/66/02/1028526602.db2.gz VCPAMKKAJDQNHJ-OLZOCXBDSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000449309049 1028526613 /nfs/dbraw/zinc/52/66/13/1028526613.db2.gz BNOHOYQDENJZBM-ILXRZTDVSA-N 1 0 320.433 3.709 20 5 DHBDRO C[C@@H]([NH2+]CCOC1CCCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581673 1028553300 /nfs/dbraw/zinc/55/33/00/1028553300.db2.gz MHATUWYZUBZUGV-CYBMUJFWSA-N 1 0 321.421 3.567 20 5 DHBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000449344607 1028555257 /nfs/dbraw/zinc/55/52/57/1028555257.db2.gz RVCAQQYJGLJMDX-WBAXXEDZSA-N 1 0 310.397 3.919 20 5 DHBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618360 1028571573 /nfs/dbraw/zinc/57/15/73/1028571573.db2.gz JVRRICHIGYNNDV-JOYOIKCWSA-N 1 0 319.327 3.805 20 5 DHBDRO CCO[C@H](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000565315855 1028571662 /nfs/dbraw/zinc/57/16/62/1028571662.db2.gz ZVCHKLGJYFMVCG-NVXWUHKLSA-N 1 0 306.406 3.623 20 5 DHBDRO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449462330 1028682562 /nfs/dbraw/zinc/68/25/62/1028682562.db2.gz SJRMCMZTDZXNSP-ZYHUDNBSSA-N 1 0 302.296 3.758 20 5 DHBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000779200122 1028695682 /nfs/dbraw/zinc/69/56/82/1028695682.db2.gz RZDFWLNAJVFBIH-QGZVFWFLSA-N 1 0 314.360 3.845 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C/C=C/c3ccncc3)C2)cc1 ZINC000449496267 1028708389 /nfs/dbraw/zinc/70/83/89/1028708389.db2.gz GLONTQKYXYMCKX-FVIAUOKHSA-N 1 0 323.396 3.883 20 5 DHBDRO Cc1ccncc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449504326 1028724288 /nfs/dbraw/zinc/72/42/88/1028724288.db2.gz VTUCZVUTPOXRFV-MRXNPFEDSA-N 1 0 311.385 3.678 20 5 DHBDRO Cc1ncccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506714 1028727310 /nfs/dbraw/zinc/72/73/10/1028727310.db2.gz ZLKWTBXZXMZWDS-KRWDZBQOSA-N 1 0 311.385 3.678 20 5 DHBDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475852 1028729860 /nfs/dbraw/zinc/72/98/60/1028729860.db2.gz QNKHBKGULAVJPL-IRXDYDNUSA-N 1 0 324.380 3.922 20 5 DHBDRO CCOC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000566836326 1028790839 /nfs/dbraw/zinc/79/08/39/1028790839.db2.gz RVXPRXFOOJWDKT-IRXDYDNUSA-N 1 0 306.406 3.623 20 5 DHBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000042096653 1028894865 /nfs/dbraw/zinc/89/48/65/1028894865.db2.gz JFMPFETXCWKPCS-ZDUSSCGKSA-N 1 0 309.366 3.510 20 5 DHBDRO Cc1cnccc1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000567467651 1028899829 /nfs/dbraw/zinc/89/98/29/1028899829.db2.gz GJQFVICEUVVNPX-UHFFFAOYSA-N 1 0 313.401 3.751 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449681480 1028907502 /nfs/dbraw/zinc/90/75/02/1028907502.db2.gz LXXQWNBIWMHBAH-KAPURRDVSA-N 1 0 316.401 3.501 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(C2CC2)o1 ZINC000449706645 1028927598 /nfs/dbraw/zinc/92/75/98/1028927598.db2.gz NZUMLTTXLRRIKT-GFCCVEGCSA-N 1 0 315.373 3.571 20 5 DHBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000449720962 1028943814 /nfs/dbraw/zinc/94/38/14/1028943814.db2.gz IZEXGDJHCMDWLK-UHFFFAOYSA-N 1 0 308.422 3.605 20 5 DHBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000190950023 1029223094 /nfs/dbraw/zinc/22/30/94/1029223094.db2.gz XNZALEFIKJSBCE-ZFWWWQNUSA-N 1 0 316.357 3.512 20 5 DHBDRO CC1(C)[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCCO[C@H]21 ZINC000374161743 1029224476 /nfs/dbraw/zinc/22/44/76/1029224476.db2.gz RAJAVWGXNBPQOX-KCPJHIHWSA-N 1 0 324.808 3.541 20 5 DHBDRO CC[C@H](N[C@@H](C)c1cn(C(C)C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000925227799 1029408044 /nfs/dbraw/zinc/40/80/44/1029408044.db2.gz BHSWYWIHOBTLLI-WFASDCNBSA-N 1 0 317.393 3.569 20 5 DHBDRO Cc1c(CN(C)Cc2nc3ccccc3o2)cccc1[N+](=O)[O-] ZINC000156205829 1029411945 /nfs/dbraw/zinc/41/19/45/1029411945.db2.gz GVLKHCMNCMOQFB-UHFFFAOYSA-N 1 0 311.341 3.676 20 5 DHBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000570783240 1029418303 /nfs/dbraw/zinc/41/83/03/1029418303.db2.gz AOYPBFCNWKHPJX-LBPRGKRZSA-N 1 0 311.813 3.699 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CCC(C)(C)C ZINC000475666377 1029559636 /nfs/dbraw/zinc/55/96/36/1029559636.db2.gz BUKOGGOTXSLMIJ-ZBFHGGJFSA-N 1 0 322.449 3.693 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncc(C)s1 ZINC000530326772 1029817880 /nfs/dbraw/zinc/81/78/80/1029817880.db2.gz MVZUOXWXEGJFNR-IZZDOVSWSA-N 1 0 303.387 3.553 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000530325351 1029818092 /nfs/dbraw/zinc/81/80/92/1029818092.db2.gz FBICTFCQMTZCMB-GOKPZMQXSA-N 1 0 304.390 3.544 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451332987 1029849617 /nfs/dbraw/zinc/84/96/17/1029849617.db2.gz ADZADYBRGRVGJP-NOVWEMISSA-N 1 0 318.417 3.671 20 5 DHBDRO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000451412478 1029870526 /nfs/dbraw/zinc/87/05/26/1029870526.db2.gz WRDJUKOEVREVJV-AAEUAGOBSA-N 1 0 316.323 3.800 20 5 DHBDRO COc1cc(C[NH2+][C@H]2CCC23CCCC3)c([N+](=O)[O-])cc1F ZINC000451452636 1029877138 /nfs/dbraw/zinc/87/71/38/1029877138.db2.gz DQIOCWPUYCYIFE-HNNXBMFYSA-N 1 0 308.353 3.555 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC[C@@H]3CCCCO3)C2)cc1 ZINC000451543116 1029907123 /nfs/dbraw/zinc/90/71/23/1029907123.db2.gz AWXCCVSRQMNJQW-AEFFLSMTSA-N 1 0 318.417 3.733 20 5 DHBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000163340695 1029931245 /nfs/dbraw/zinc/93/12/45/1029931245.db2.gz WKWGDIYRQFJIAH-AAEUAGOBSA-N 1 0 303.362 3.794 20 5 DHBDRO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000467839486 1029976186 /nfs/dbraw/zinc/97/61/86/1029976186.db2.gz MXOKHFPCAXTRHV-KKUMJFAQSA-N 1 0 305.422 3.508 20 5 DHBDRO Cc1c(C[N@@H+]2CCC[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000451965983 1030071497 /nfs/dbraw/zinc/07/14/97/1030071497.db2.gz NURPOLVXXQCXLV-MRXNPFEDSA-N 1 0 306.431 3.622 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000924796324 1030189520 /nfs/dbraw/zinc/18/95/20/1030189520.db2.gz BKOKBMXOFCDLEG-DOMZBBRYSA-N 1 0 315.373 3.800 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C1CCC1 ZINC000924796938 1030191210 /nfs/dbraw/zinc/19/12/10/1030191210.db2.gz DQXPWKJSIDPGAN-STQMWFEESA-N 1 0 314.389 3.928 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(O)cc(F)c1 ZINC000924796899 1030191395 /nfs/dbraw/zinc/19/13/95/1030191395.db2.gz DOUVFBWOWHBCPA-WDEREUQCSA-N 1 0 304.321 3.851 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@]1(C)CC1(F)F ZINC000866390799 1030272709 /nfs/dbraw/zinc/27/27/09/1030272709.db2.gz TTYAXMJGZFZLII-IINYFYTJSA-N 1 0 316.323 3.690 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000866527737 1030345687 /nfs/dbraw/zinc/34/56/87/1030345687.db2.gz NHZIGAUOAFBABU-GOEBONIOSA-N 1 0 318.417 3.761 20 5 DHBDRO C[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866544455 1030364142 /nfs/dbraw/zinc/36/41/42/1030364142.db2.gz RGFPUFNAZKXKKS-VIFPVBQESA-N 1 0 301.337 3.509 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)C(C)(F)F ZINC000866546314 1030366248 /nfs/dbraw/zinc/36/62/48/1030366248.db2.gz NGLYEDKYRWGKMS-JTQLQIEISA-N 1 0 318.339 3.936 20 5 DHBDRO CCC[C@H]([NH2+]CCN1CC=C(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358220094 1030386241 /nfs/dbraw/zinc/38/62/41/1030386241.db2.gz DIGAPKXMVZKQCX-SFHVURJKSA-N 1 0 317.433 3.678 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866581968 1030388295 /nfs/dbraw/zinc/38/82/95/1030388295.db2.gz FSVRMSWERXEPSO-MJBXVCDLSA-N 1 0 306.431 3.649 20 5 DHBDRO CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)C ZINC000291199273 1030391662 /nfs/dbraw/zinc/39/16/62/1030391662.db2.gz JPNZWUHQEQHKFX-UHFFFAOYSA-N 1 0 318.377 3.513 20 5 DHBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000824080690 1030472923 /nfs/dbraw/zinc/47/29/23/1030472923.db2.gz IYLDFKIWJMLRAV-IRXDYDNUSA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CC(F)(F)C1 ZINC000291592351 1030563504 /nfs/dbraw/zinc/56/35/04/1030563504.db2.gz PWZJFOUSIUHNQG-UHFFFAOYSA-N 1 0 311.115 3.789 20 5 DHBDRO COC[C@@](C)(O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000824559641 1030581701 /nfs/dbraw/zinc/58/17/01/1030581701.db2.gz XHICHBNWQZBCSY-NRFANRHFSA-N 1 0 323.436 3.870 20 5 DHBDRO COCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000558501032 1030605923 /nfs/dbraw/zinc/60/59/23/1030605923.db2.gz JLSKESBTEVJLAA-AWEZNQCLSA-N 1 0 306.406 3.842 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000824774166 1030633482 /nfs/dbraw/zinc/63/34/82/1030633482.db2.gz RCTJCEMRLQFDHK-LBPRGKRZSA-N 1 0 303.189 3.577 20 5 DHBDRO Cc1c(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000358824924 1030639545 /nfs/dbraw/zinc/63/95/45/1030639545.db2.gz NXZZQYULPRKJTD-ACJLOTCBSA-N 1 0 311.385 3.881 20 5 DHBDRO C[C@H]1C[C@H](c2cccnc2)N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000358829499 1030642412 /nfs/dbraw/zinc/64/24/12/1030642412.db2.gz RINUEXYAJMIXIV-YVEFUNNKSA-N 1 0 315.348 3.712 20 5 DHBDRO CCc1nc(C)c(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000291941768 1030712339 /nfs/dbraw/zinc/71/23/39/1030712339.db2.gz PVFKDGSXKNIRBU-LBPRGKRZSA-N 1 0 317.389 3.565 20 5 DHBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000359087161 1030769329 /nfs/dbraw/zinc/76/93/29/1030769329.db2.gz WRNCPFBLEKKMQQ-ZDUSSCGKSA-N 1 0 320.437 3.531 20 5 DHBDRO COc1ccc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)cc1[N+](=O)[O-] ZINC000359292247 1030891636 /nfs/dbraw/zinc/89/16/36/1030891636.db2.gz DPBFHBJDNSHZFQ-SUMWQHHRSA-N 1 0 304.390 3.616 20 5 DHBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000078613019 1031007333 /nfs/dbraw/zinc/00/73/33/1031007333.db2.gz MCEDOGOZNDRSSG-HNNXBMFYSA-N 1 0 303.362 3.683 20 5 DHBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCCCCC2)c1 ZINC000559031733 1031041010 /nfs/dbraw/zinc/04/10/10/1031041010.db2.gz FIKIZRAHUZWEMV-UHFFFAOYSA-N 1 0 302.296 3.990 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000927032027 1031043476 /nfs/dbraw/zinc/04/34/76/1031043476.db2.gz YAOZYKFWCMIDOF-GRYCIOLGSA-N 1 0 310.419 3.538 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000927067553 1031065484 /nfs/dbraw/zinc/06/54/84/1031065484.db2.gz NVEVTJUOWTZOTC-QANKJYHBSA-N 1 0 318.417 3.759 20 5 DHBDRO CC[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000927159700 1031124003 /nfs/dbraw/zinc/12/40/03/1031124003.db2.gz HRXTVZDYVRVRON-CVEARBPZSA-N 1 0 304.390 3.737 20 5 DHBDRO O=[N+]([O-])c1cc(CN2CCC[C@]3(CC3(F)F)C2)ccc1Cl ZINC000844439426 1031142898 /nfs/dbraw/zinc/14/28/98/1031142898.db2.gz WYMBBQWRSAABLX-ZDUSSCGKSA-N 1 0 316.735 3.869 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000536696462 1031399420 /nfs/dbraw/zinc/39/94/20/1031399420.db2.gz WZGXBKCQQYYHKI-BJESKFFQSA-N 1 0 318.442 3.968 20 5 DHBDRO CC[C@H](CCC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000872032960 1031417217 /nfs/dbraw/zinc/41/72/17/1031417217.db2.gz DBYSTBUZKDEAOM-GFCCVEGCSA-N 1 0 304.312 3.848 20 5 DHBDRO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872035587 1031419064 /nfs/dbraw/zinc/41/90/64/1031419064.db2.gz XIENAQMDRLSAAG-ZIAGYGMSSA-N 1 0 323.412 3.505 20 5 DHBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872036701 1031421251 /nfs/dbraw/zinc/42/12/51/1031421251.db2.gz VJNHXTYHWJEWQY-XHDPSFHLSA-N 1 0 312.435 3.518 20 5 DHBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872036699 1031421901 /nfs/dbraw/zinc/42/19/01/1031421901.db2.gz VJNHXTYHWJEWQY-IAQYHMDHSA-N 1 0 312.435 3.518 20 5 DHBDRO CCc1cnc(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872037526 1031422263 /nfs/dbraw/zinc/42/22/63/1031422263.db2.gz CYCNSCKMIUNKJU-JTQLQIEISA-N 1 0 323.393 3.646 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000872041401 1031425790 /nfs/dbraw/zinc/42/57/90/1031425790.db2.gz HSAWHZXCJDTBBA-UPJWGTAASA-N 1 0 324.446 3.518 20 5 DHBDRO CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000872041398 1031426153 /nfs/dbraw/zinc/42/61/53/1031426153.db2.gz HQRGWDBYMBIYBO-PVAVHDDUSA-N 1 0 306.406 3.841 20 5 DHBDRO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872044695 1031430460 /nfs/dbraw/zinc/43/04/60/1031430460.db2.gz VORYHOMOOIPDIX-JTQLQIEISA-N 1 0 323.755 3.676 20 5 DHBDRO COCCC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000872044800 1031430764 /nfs/dbraw/zinc/43/07/64/1031430764.db2.gz WJVRUMWBOCNJLT-CYBMUJFWSA-N 1 0 324.396 3.981 20 5 DHBDRO COCCC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000872044801 1031431838 /nfs/dbraw/zinc/43/18/38/1031431838.db2.gz WJVRUMWBOCNJLT-ZDUSSCGKSA-N 1 0 324.396 3.981 20 5 DHBDRO Cc1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1C ZINC001171157193 1031435071 /nfs/dbraw/zinc/43/50/71/1031435071.db2.gz SLGQZKHMZCPOIH-UHFFFAOYSA-N 1 0 314.385 3.722 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000872050492 1031438782 /nfs/dbraw/zinc/43/87/82/1031438782.db2.gz BBOLJDBCLRTCTN-RYUDHWBXSA-N 1 0 324.446 3.925 20 5 DHBDRO Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000872062425 1031457189 /nfs/dbraw/zinc/45/71/89/1031457189.db2.gz MQJCVXCRPDHVFX-ONGXEEELSA-N 1 0 323.393 3.953 20 5 DHBDRO CCOc1ccccc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000536832379 1031458040 /nfs/dbraw/zinc/45/80/40/1031458040.db2.gz JFGIJQWTNMMVOD-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO Cc1ccccc1OCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536875349 1031464075 /nfs/dbraw/zinc/46/40/75/1031464075.db2.gz HKWYDNUGBSNSCO-CQSZACIVSA-N 1 0 300.358 3.633 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CC(C)(C)O ZINC000872074847 1031471036 /nfs/dbraw/zinc/47/10/36/1031471036.db2.gz JEGYPXYFJFKNCL-QWRGUYRKSA-N 1 0 312.435 3.517 20 5 DHBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCCCO ZINC000872076322 1031472423 /nfs/dbraw/zinc/47/24/23/1031472423.db2.gz ZHEPMEJACQYBBQ-RYUDHWBXSA-N 1 0 312.435 3.518 20 5 DHBDRO C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872080539 1031476299 /nfs/dbraw/zinc/47/62/99/1031476299.db2.gz RIUYJKBPQYYFJN-VXGBXAGGSA-N 1 0 324.421 3.918 20 5 DHBDRO C[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000872079979 1031477122 /nfs/dbraw/zinc/47/71/22/1031477122.db2.gz RBWQUDXIWQGRCI-IUCAKERBSA-N 1 0 308.275 3.973 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088474 1031484932 /nfs/dbraw/zinc/48/49/32/1031484932.db2.gz OYGBMTGQMFYCBB-KWQFWETISA-N 1 0 302.296 3.676 20 5 DHBDRO C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872091167 1031487453 /nfs/dbraw/zinc/48/74/53/1031487453.db2.gz GATNDSUQMPMFDP-QWHCGFSZSA-N 1 0 322.380 3.591 20 5 DHBDRO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093210 1031490945 /nfs/dbraw/zinc/49/09/45/1031490945.db2.gz HGWVBGYHZAIGDJ-WFASDCNBSA-N 1 0 322.380 3.876 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1[N+](=O)[O-] ZINC000872110198 1031500882 /nfs/dbraw/zinc/50/08/82/1031500882.db2.gz WQRZUHFWINHKQD-PWXKEOIMSA-N 1 0 304.390 3.511 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000360663226 1031512709 /nfs/dbraw/zinc/51/27/09/1031512709.db2.gz JINVAMBSXNKMAP-LJQANCHMSA-N 1 0 324.380 3.616 20 5 DHBDRO COCC1(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000293573949 1031520865 /nfs/dbraw/zinc/52/08/65/1031520865.db2.gz BNJIQPOVWKNAJE-CQSZACIVSA-N 1 0 306.406 3.761 20 5 DHBDRO COCC1(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000293582137 1031523974 /nfs/dbraw/zinc/52/39/74/1031523974.db2.gz CCIGHPUJUYLXLY-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872260330 1031563278 /nfs/dbraw/zinc/56/32/78/1031563278.db2.gz MIXXLXARLOVYKY-QGZVFWFLSA-N 1 0 304.390 3.518 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278116 1031570243 /nfs/dbraw/zinc/57/02/43/1031570243.db2.gz GYIRMDNQMFRHMN-AWEZNQCLSA-N 1 0 322.380 3.658 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc2c(c1)C[N@H+](C)C2 ZINC000873082838 1031706502 /nfs/dbraw/zinc/70/65/02/1031706502.db2.gz QEIQZFACOKJPQZ-UHFFFAOYSA-N 1 0 311.385 3.769 20 5 DHBDRO Cc1cnc([C@@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000873105164 1031713149 /nfs/dbraw/zinc/71/31/49/1031713149.db2.gz SRPUGMQXLXFQEX-NSHDSACASA-N 1 0 319.430 3.870 20 5 DHBDRO COCC1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873132372 1031720256 /nfs/dbraw/zinc/72/02/56/1031720256.db2.gz QNTSXKJIGYEZCZ-UHFFFAOYSA-N 1 0 306.406 3.506 20 5 DHBDRO Cc1c(C[NH2+]Cc2cnccc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873131240 1031720358 /nfs/dbraw/zinc/72/03/58/1031720358.db2.gz PUWZOXUVXPFKSB-UHFFFAOYSA-N 1 0 313.401 3.886 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000873129412 1031720716 /nfs/dbraw/zinc/72/07/16/1031720716.db2.gz LIHXBSUVODUFDA-CQSZACIVSA-N 1 0 306.406 3.506 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873155923 1031730788 /nfs/dbraw/zinc/73/07/88/1031730788.db2.gz IJNMWQFMMARDMN-GXDAXXDPSA-N 1 0 316.401 3.545 20 5 DHBDRO C[C@H](C[N+](C)(C)C)O[C@H]1CCc2cc(Br)ccc21 ZINC001224013247 1031734957 /nfs/dbraw/zinc/73/49/57/1031734957.db2.gz XYTXZKNXQLQBQS-ABAIWWIYSA-N 1 0 313.259 3.548 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000846037104 1031830310 /nfs/dbraw/zinc/83/03/10/1031830310.db2.gz YSIPUWPAMMSATJ-ZIAGYGMSSA-N 1 0 300.761 3.698 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000846037103 1031830346 /nfs/dbraw/zinc/83/03/46/1031830346.db2.gz YSIPUWPAMMSATJ-UONOGXRCSA-N 1 0 300.761 3.698 20 5 DHBDRO O[C@]1(CC[NH2+]Cc2c3ccccc3cc3ccccc32)CCOC1 ZINC000846045988 1031838747 /nfs/dbraw/zinc/83/87/47/1031838747.db2.gz AOEASGMDAPTCSL-OAQYLSRUSA-N 1 0 321.420 3.624 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000361345733 1031877847 /nfs/dbraw/zinc/87/78/47/1031877847.db2.gz JWXBSPHYPXXPNY-IAGOWNOFSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@](C)(O)c1ccccc1 ZINC000846188259 1031922312 /nfs/dbraw/zinc/92/23/12/1031922312.db2.gz MRYXGMBOKNAKTB-PMUMKWKESA-N 1 0 314.385 3.542 20 5 DHBDRO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC000361641555 1032031564 /nfs/dbraw/zinc/03/15/64/1032031564.db2.gz CKEKVIRUEXFJLQ-CJNGLKHVSA-N 1 0 306.406 3.540 20 5 DHBDRO CC[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)[C@@H](C)C(C)C ZINC000777955021 1032037206 /nfs/dbraw/zinc/03/72/06/1032037206.db2.gz SFYTXNMVSASTFF-AWEZNQCLSA-N 1 0 316.405 3.782 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000877464545 1033307990 /nfs/dbraw/zinc/30/79/90/1033307990.db2.gz PXEUJANIKATZQY-GOSISDBHSA-N 1 0 318.417 3.603 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000877615127 1033383188 /nfs/dbraw/zinc/38/31/88/1033383188.db2.gz QVEWFABLLYTMSO-OAHLLOKOSA-N 1 0 310.344 3.833 20 5 DHBDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000877685391 1033413428 /nfs/dbraw/zinc/41/34/28/1033413428.db2.gz XGSBVAJVOBLMAQ-QMMMGPOBSA-N 1 0 311.794 3.864 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC[C@H]1F)CC2 ZINC001172896888 1033435219 /nfs/dbraw/zinc/43/52/19/1033435219.db2.gz TXXLUWYLEIUIRT-YQQAZPJKSA-N 1 0 306.381 3.570 20 5 DHBDRO CCC1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903243 1033437993 /nfs/dbraw/zinc/43/79/93/1033437993.db2.gz FWRYEVLBBSVCJE-QGZVFWFLSA-N 1 0 302.418 3.964 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCc3ccccc3C1)CC2 ZINC001172908753 1033439709 /nfs/dbraw/zinc/43/97/09/1033439709.db2.gz NPOPQVATORYWSA-LJQANCHMSA-N 1 0 322.408 3.901 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1CCSCC1)CC2 ZINC001172907176 1033439989 /nfs/dbraw/zinc/43/99/89/1033439989.db2.gz QCEVZSMPEYNAAM-INIZCTEOSA-N 1 0 320.458 3.575 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCC(F)(F)C1)CC2 ZINC001172895977 1033462382 /nfs/dbraw/zinc/46/23/82/1033462382.db2.gz KGLOUFVDIBOKRF-KBPBESRZSA-N 1 0 310.344 3.620 20 5 DHBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)CC2 ZINC001172895979 1033462442 /nfs/dbraw/zinc/46/24/42/1033462442.db2.gz KGLOUFVDIBOKRF-UONOGXRCSA-N 1 0 310.344 3.620 20 5 DHBDRO C[N@H+](CC1CC(F)(F)C1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172917624 1033464329 /nfs/dbraw/zinc/46/43/29/1033464329.db2.gz WDMUUWQCPIJRPC-HNNXBMFYSA-N 1 0 324.371 3.819 20 5 DHBDRO CCCCC(=O)[C@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913013 1033484606 /nfs/dbraw/zinc/48/46/06/1033484606.db2.gz SMMYYPDGZKLPRD-BBRMVZONSA-N 1 0 318.417 3.580 20 5 DHBDRO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173410379 1033506416 /nfs/dbraw/zinc/50/64/16/1033506416.db2.gz ZJVYZFXOIMDEBK-STQMWFEESA-N 1 0 302.378 3.784 20 5 DHBDRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173410403 1033507044 /nfs/dbraw/zinc/50/70/44/1033507044.db2.gz ZJVYZFXOIMDEBK-OLZOCXBDSA-N 1 0 302.378 3.784 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCCCCC2)c1F ZINC001173175454 1033580276 /nfs/dbraw/zinc/58/02/76/1033580276.db2.gz NQAJOKJWRSURLA-LBPRGKRZSA-N 1 0 324.396 3.986 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CC3(CCC3)C2)c1F ZINC001173178432 1033581294 /nfs/dbraw/zinc/58/12/94/1033581294.db2.gz HKGVETZAQVNKIO-LLVKDONJSA-N 1 0 322.380 3.596 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(C)CCCCC2)c1F ZINC001173176071 1033581692 /nfs/dbraw/zinc/58/16/92/1033581692.db2.gz WVRHWXVASBOCOM-GFCCVEGCSA-N 1 0 324.396 3.986 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2[C@@H](C)CC[C@@H]2C)c1F ZINC001173184163 1033583865 /nfs/dbraw/zinc/58/38/65/1033583865.db2.gz LQPMDKGDHCIRTQ-SRVKXCTJSA-N 1 0 324.396 3.698 20 5 DHBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCCC2(C)C)c1F ZINC001173193706 1033588122 /nfs/dbraw/zinc/58/81/22/1033588122.db2.gz VVAKMOKIFJCFJF-IAQYHMDHSA-N 1 0 324.396 3.842 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ncccc1C ZINC001173215367 1033597446 /nfs/dbraw/zinc/59/74/46/1033597446.db2.gz VNRFJLMVZSNLMS-PBHICJAKSA-N 1 0 313.401 3.970 20 5 DHBDRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173215217 1033597456 /nfs/dbraw/zinc/59/74/56/1033597456.db2.gz UJZGEXQUUQWTOU-KBPBESRZSA-N 1 0 316.376 3.886 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)ccc1F ZINC001173215541 1033598510 /nfs/dbraw/zinc/59/85/10/1033598510.db2.gz WPNFPSIYWPHRIK-LLVKDONJSA-N 1 0 306.312 3.594 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001173218592 1033600347 /nfs/dbraw/zinc/60/03/47/1033600347.db2.gz KUADYRICLKLFNC-PJSAGSTRSA-N 1 0 314.360 3.811 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001173220096 1033601068 /nfs/dbraw/zinc/60/10/68/1033601068.db2.gz TYUZTSDYEFGVSF-FZKQIMNGSA-N 1 0 311.385 3.662 20 5 DHBDRO CC[C@@H](C)C[N@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878164309 1033603078 /nfs/dbraw/zinc/60/30/78/1033603078.db2.gz IWOXXPRGTPZVFK-GFCCVEGCSA-N 1 0 318.377 3.513 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCc2ccccc21 ZINC001173224955 1033604002 /nfs/dbraw/zinc/60/40/02/1033604002.db2.gz POSSYEGONOWXLA-WMLDXEAASA-N 1 0 310.397 3.845 20 5 DHBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001173234934 1033607860 /nfs/dbraw/zinc/60/78/60/1033607860.db2.gz RBWIEGQZINOIJC-SGTLLEGYSA-N 1 0 314.360 3.942 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccncc1)C1CC1 ZINC001173233905 1033607893 /nfs/dbraw/zinc/60/78/93/1033607893.db2.gz LDRALKSMCCRBFT-ACJLOTCBSA-N 1 0 311.385 3.662 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](c1ccccn1)C1CC1 ZINC001173233243 1033608678 /nfs/dbraw/zinc/60/86/78/1033608678.db2.gz HRQIKUQUJJRHPT-ACJLOTCBSA-N 1 0 311.385 3.662 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc(Cl)nc1 ZINC001173232466 1033608892 /nfs/dbraw/zinc/60/88/92/1033608892.db2.gz GXJHIMXWLGPXRX-GFCCVEGCSA-N 1 0 319.792 3.706 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccc(F)cc1 ZINC001173233720 1033608998 /nfs/dbraw/zinc/60/89/98/1033608998.db2.gz MNZVOQPHXHGOOE-CQSZACIVSA-N 1 0 316.376 3.839 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001173213791 1033613317 /nfs/dbraw/zinc/61/33/17/1033613317.db2.gz HWBGLFOLRLKQIL-CQSZACIVSA-N 1 0 310.397 3.804 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(ccn2C)c1 ZINC001173210786 1033614008 /nfs/dbraw/zinc/61/40/08/1033614008.db2.gz NFQUWFIEKYVOBV-CQSZACIVSA-N 1 0 323.396 3.807 20 5 DHBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(Cc2ccccc2)CC1 ZINC001173214551 1033615184 /nfs/dbraw/zinc/61/51/84/1033615184.db2.gz OXMJENLHOVNBOW-OAHLLOKOSA-N 1 0 310.397 3.891 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@@H](CCO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000479494249 1033780439 /nfs/dbraw/zinc/78/04/39/1033780439.db2.gz CJXRWJWBFMHZJM-PBHICJAKSA-N 1 0 320.433 3.885 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000479588473 1033826266 /nfs/dbraw/zinc/82/62/66/1033826266.db2.gz XAHLKCUXPYSLTP-SJORKVTESA-N 1 0 306.406 3.587 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000479588470 1033826927 /nfs/dbraw/zinc/82/69/27/1033826927.db2.gz XAHLKCUXPYSLTP-IAGOWNOFSA-N 1 0 306.406 3.587 20 5 DHBDRO CCC(CC)(CC)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000174511298 1033937312 /nfs/dbraw/zinc/93/73/12/1033937312.db2.gz FBRJCZCTFRYIOM-UHFFFAOYSA-N 1 0 308.378 3.520 20 5 DHBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879669657 1034081505 /nfs/dbraw/zinc/08/15/05/1034081505.db2.gz UFULDDQJWWIBQU-ZYHUDNBSSA-N 1 0 318.270 3.721 20 5 DHBDRO C[NH+](C)Cc1cccc(NCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000864003827 1034243493 /nfs/dbraw/zinc/24/34/93/1034243493.db2.gz PKXLETWDQMURQM-UHFFFAOYSA-N 1 0 319.792 3.922 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000880535450 1034350909 /nfs/dbraw/zinc/35/09/09/1034350909.db2.gz CPZVCYHZKFPPBF-JVPBZIDWSA-N 1 0 324.380 3.563 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000480618829 1034352525 /nfs/dbraw/zinc/35/25/25/1034352525.db2.gz WSTULPYHHKXJJA-JYJNAYRXSA-N 1 0 319.449 3.817 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000183311836 1034374165 /nfs/dbraw/zinc/37/41/65/1034374165.db2.gz HZZFZWISJHLEDN-UHFFFAOYSA-N 1 0 318.417 3.827 20 5 DHBDRO C[C@@H](C[NH+]1CCCCCC1)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000480697434 1034409675 /nfs/dbraw/zinc/40/96/75/1034409675.db2.gz KURZHENCZGHMQX-GJZGRUSLSA-N 1 0 305.422 3.510 20 5 DHBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000184268837 1034460547 /nfs/dbraw/zinc/46/05/47/1034460547.db2.gz VNSKJRGBUHCKSE-FPTDNZKUSA-N 1 0 311.450 3.850 20 5 DHBDRO C[C@@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000481041129 1034565754 /nfs/dbraw/zinc/56/57/54/1034565754.db2.gz TYFROHYFLMPMJW-STQMWFEESA-N 1 0 318.348 3.852 20 5 DHBDRO Cc1csc([C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000186571537 1034643549 /nfs/dbraw/zinc/64/35/49/1034643549.db2.gz VKJVZICMVSAFHE-PWSUYJOCSA-N 1 0 305.403 3.814 20 5 DHBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CC1(C)C ZINC001174908273 1034673915 /nfs/dbraw/zinc/67/39/15/1034673915.db2.gz YAXMDFLYEVTMFH-CQSZACIVSA-N 1 0 306.406 3.860 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000192846524 1034698002 /nfs/dbraw/zinc/69/80/02/1034698002.db2.gz NGKQJCIICVKLCV-PBHICJAKSA-N 1 0 305.422 3.510 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCCCO)s2)cc1 ZINC000192903440 1034822244 /nfs/dbraw/zinc/82/22/44/1034822244.db2.gz WVAQRNAVNAEXHB-UHFFFAOYSA-N 1 0 320.414 3.576 20 5 DHBDRO COc1ccc(C[NH2+][C@H](C)[C@]23C[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC001175293003 1034903649 /nfs/dbraw/zinc/90/36/49/1034903649.db2.gz TVDGMCOVENRIAE-MRRJBJDNSA-N 1 0 304.390 3.662 20 5 DHBDRO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000481768366 1034969416 /nfs/dbraw/zinc/96/94/16/1034969416.db2.gz MNZHOGHAZULYKR-RISCZKNCSA-N 1 0 316.323 3.800 20 5 DHBDRO CC[C@H]1CCCC[N@@H+]1CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000482941705 1035203256 /nfs/dbraw/zinc/20/32/56/1035203256.db2.gz AKGVETSGRMDNTD-CVEARBPZSA-N 1 0 319.449 3.818 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCCC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000483856318 1035306553 /nfs/dbraw/zinc/30/65/53/1035306553.db2.gz YKXIFYCMZNKXRP-ZDUSSCGKSA-N 1 0 322.405 3.676 20 5 DHBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(Cl)ccc2F)cc1 ZINC001177683827 1035386907 /nfs/dbraw/zinc/38/69/07/1035386907.db2.gz WPYDBJZEAXUDBJ-UHFFFAOYSA-N 1 0 324.739 3.556 20 5 DHBDRO COc1ccc(C[NH2+]CC2(CC(C)C)CCC2)cc1[N+](=O)[O-] ZINC001178176625 1035412429 /nfs/dbraw/zinc/41/24/29/1035412429.db2.gz XZDCMGXJCBOGFG-UHFFFAOYSA-N 1 0 306.406 3.909 20 5 DHBDRO Cc1nc2c(o1)CCC[C@@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000924800596 1035447220 /nfs/dbraw/zinc/44/72/20/1035447220.db2.gz ZIVCCXSOEMGVFY-YGRLFVJLSA-N 1 0 301.346 3.619 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[C@H]1C=CCC1 ZINC001179502506 1035481865 /nfs/dbraw/zinc/48/18/65/1035481865.db2.gz QVZAFUZQRNGWQM-AWEZNQCLSA-N 1 0 304.390 3.830 20 5 DHBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001180098010 1035598428 /nfs/dbraw/zinc/59/84/28/1035598428.db2.gz JAGFLMJGWKYIBQ-INIZCTEOSA-N 1 0 319.449 3.518 20 5 DHBDRO CC[C@@H](Cc1cccs1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC001180318198 1035641795 /nfs/dbraw/zinc/64/17/95/1035641795.db2.gz YSMJEFCXQICJCB-ZDUSSCGKSA-N 1 0 320.414 3.776 20 5 DHBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC001193648208 1035691994 /nfs/dbraw/zinc/69/19/94/1035691994.db2.gz DTQFDNOAMDVFAH-GJZGRUSLSA-N 1 0 306.406 3.922 20 5 DHBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001193664777 1035700222 /nfs/dbraw/zinc/70/02/22/1035700222.db2.gz ZVPBYTXPBZFXMA-BXUZGUMPSA-N 1 0 321.377 3.807 20 5 DHBDRO CO[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000539513246 1035759095 /nfs/dbraw/zinc/75/90/95/1035759095.db2.gz RVWBLCRVHVHMCC-MRXNPFEDSA-N 1 0 320.776 3.726 20 5 DHBDRO CC(C)([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000539528404 1035769715 /nfs/dbraw/zinc/76/97/15/1035769715.db2.gz APDRACKFIOOWRB-UHFFFAOYSA-N 1 0 317.414 3.997 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494704449 1035772200 /nfs/dbraw/zinc/77/22/00/1035772200.db2.gz SEGYXWUZEQTRMZ-PBHICJAKSA-N 1 0 318.417 3.855 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000539667717 1035821414 /nfs/dbraw/zinc/82/14/14/1035821414.db2.gz JSWMMIBNBMFWNG-CZUORRHYSA-N 1 0 312.369 3.558 20 5 DHBDRO Cc1ccc(C[N@@H+](C)Cc2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000539825263 1035867644 /nfs/dbraw/zinc/86/76/44/1035867644.db2.gz MTLGLDWINYKWMH-UHFFFAOYSA-N 1 0 313.401 3.601 20 5 DHBDRO CC(C)c1ccc(C[N@H+](C)CCOCC2CC2)cc1[N+](=O)[O-] ZINC000539861681 1035908410 /nfs/dbraw/zinc/90/84/10/1035908410.db2.gz YESUTQOPJWBWBY-UHFFFAOYSA-N 1 0 306.406 3.577 20 5 DHBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000152917908 1036030288 /nfs/dbraw/zinc/03/02/88/1036030288.db2.gz OEEGBMNQAFUKJF-QGZVFWFLSA-N 1 0 304.390 3.518 20 5 DHBDRO CCc1cnccc1[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000540651414 1036125206 /nfs/dbraw/zinc/12/52/06/1036125206.db2.gz AHYOKRVTGOYLFZ-OWNNVSBGSA-N 1 0 311.385 3.916 20 5 DHBDRO CC(C)CCOC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193110186 1036152001 /nfs/dbraw/zinc/15/20/01/1036152001.db2.gz FFDQYDGUGZHJEL-UHFFFAOYSA-N 1 0 306.406 3.622 20 5 DHBDRO C[C@@H](Cc1ccco1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774114994 1036158626 /nfs/dbraw/zinc/15/86/26/1036158626.db2.gz JFFXGUSHSXKJCA-SJCJKPOMSA-N 1 0 300.358 3.786 20 5 DHBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000541073123 1036232240 /nfs/dbraw/zinc/23/22/40/1036232240.db2.gz NRWNAVDEYGHPHN-GFCCVEGCSA-N 1 0 300.811 3.576 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000774516714 1036391289 /nfs/dbraw/zinc/39/12/89/1036391289.db2.gz BDZCBYZZKYZZKV-INMHGKMJSA-N 1 0 317.433 3.745 20 5 DHBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000774520036 1036394716 /nfs/dbraw/zinc/39/47/16/1036394716.db2.gz YGHDFOMULAJOAR-MCIONIFRSA-N 1 0 321.396 3.576 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C\c2ccc(F)cc2F)cc1 ZINC000541794151 1036431750 /nfs/dbraw/zinc/43/17/50/1036431750.db2.gz OVEAPCYVCWOZTH-UPHRSURJSA-N 1 0 318.323 3.719 20 5 DHBDRO C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000596144519 1036545386 /nfs/dbraw/zinc/54/53/86/1036545386.db2.gz GMIBBVQYXOIXSF-KOLCDFICSA-N 1 0 317.311 3.508 20 5 DHBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000774618108 1036571563 /nfs/dbraw/zinc/57/15/63/1036571563.db2.gz JNGWLWZYKFPFMQ-GUYCJALGSA-N 1 0 314.389 3.536 20 5 DHBDRO C[C@H](C[NH2+]Cc1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC001203864271 1036657390 /nfs/dbraw/zinc/65/73/90/1036657390.db2.gz LCYKBCZEZHLJQE-LLVKDONJSA-N 1 0 306.312 3.766 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC001197221506 1036712961 /nfs/dbraw/zinc/71/29/61/1036712961.db2.gz RFXWLJDATHTDGD-HNNXBMFYSA-N 1 0 324.808 3.830 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3ccccc3C2)c(F)c1 ZINC001184105846 1036742052 /nfs/dbraw/zinc/74/20/52/1036742052.db2.gz GWEPWJGLUJAVSH-INIZCTEOSA-N 1 0 314.360 3.771 20 5 DHBDRO CC[C@@H]1C[C@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000492193280 1036782944 /nfs/dbraw/zinc/78/29/44/1036782944.db2.gz NWTPEWOQVSVOQD-ZIAGYGMSSA-N 1 0 306.406 3.625 20 5 DHBDRO CC(C)C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000272036020 1036902878 /nfs/dbraw/zinc/90/28/78/1036902878.db2.gz VETIGQIWFYLOKX-SLLSNFPASA-N 1 0 318.417 3.791 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000492556455 1036917753 /nfs/dbraw/zinc/91/77/53/1036917753.db2.gz FZBPVPQNXHIZND-CQSZACIVSA-N 1 0 324.446 3.711 20 5 DHBDRO CCOc1cc(C[N@H+](C)CCc2cccs2)ccc1[N+](=O)[O-] ZINC000492629341 1036946878 /nfs/dbraw/zinc/94/68/78/1036946878.db2.gz JUBOOCSQWGQMJW-UHFFFAOYSA-N 1 0 320.414 3.730 20 5 DHBDRO CCOc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000492626171 1036947685 /nfs/dbraw/zinc/94/76/85/1036947685.db2.gz ADUDZTSSWMVBJP-HUUCEWRRSA-N 1 0 304.390 3.758 20 5 DHBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000488442288 1037013276 /nfs/dbraw/zinc/01/32/76/1037013276.db2.gz UBPYEJAJUCMJIM-HIFRSBDPSA-N 1 0 308.447 3.647 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000488431072 1037018371 /nfs/dbraw/zinc/01/83/71/1037018371.db2.gz KIDMOPAISYBWTD-SWLSCSKDSA-N 1 0 324.446 3.613 20 5 DHBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000488538763 1037063723 /nfs/dbraw/zinc/06/37/23/1037063723.db2.gz DAYFYAQCVGPAGV-RISCZKNCSA-N 1 0 314.838 3.868 20 5 DHBDRO C[NH+](C)[C@@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001185263544 1037084911 /nfs/dbraw/zinc/08/49/11/1037084911.db2.gz QIQYFFMUWLFNMH-NSHDSACASA-N 1 0 318.204 3.654 20 5 DHBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001198800930 1037138840 /nfs/dbraw/zinc/13/88/40/1037138840.db2.gz NNWMITOICIVDKM-BBRMVZONSA-N 1 0 306.406 3.793 20 5 DHBDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774906717 1037200033 /nfs/dbraw/zinc/20/00/33/1037200033.db2.gz YEAXUJGGECHDKG-RYUDHWBXSA-N 1 0 307.350 3.514 20 5 DHBDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000489353374 1037368788 /nfs/dbraw/zinc/36/87/88/1037368788.db2.gz GXLFBDGEEKHZCT-JSGCOSHPSA-N 1 0 321.421 3.598 20 5 DHBDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000489742740 1037528500 /nfs/dbraw/zinc/52/85/00/1037528500.db2.gz OBQXQFDUJFTQOL-UHFFFAOYSA-N 1 0 320.776 3.889 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000090772821 1037595664 /nfs/dbraw/zinc/59/56/64/1037595664.db2.gz RCUIEXMEURQOSZ-LBPRGKRZSA-N 1 0 304.390 3.834 20 5 DHBDRO Cc1cc(N(CC(C)C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001187405694 1037632360 /nfs/dbraw/zinc/63/23/60/1037632360.db2.gz QHOLHYFTOUFMQC-UHFFFAOYSA-N 1 0 319.449 3.707 20 5 DHBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCc2ccccc2C1 ZINC000490400243 1037707373 /nfs/dbraw/zinc/70/73/73/1037707373.db2.gz LZADOAJVEZRIQK-INIZCTEOSA-N 1 0 314.360 3.723 20 5 DHBDRO C[C@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000491181841 1037924866 /nfs/dbraw/zinc/92/48/66/1037924866.db2.gz GUBKOXJQZFMANP-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC000055102658 1038033766 /nfs/dbraw/zinc/03/37/66/1038033766.db2.gz PTTNCDBYLQLAOJ-UHFFFAOYSA-N 1 0 312.369 3.680 20 5 DHBDRO CCN(Cc1ccoc1)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609194211 1038069518 /nfs/dbraw/zinc/06/95/18/1038069518.db2.gz FLFPCJYIDYKXGY-UHFFFAOYSA-N 1 0 318.373 3.997 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ccc(F)cc3)CCC2)cc1 ZINC000609194199 1038071060 /nfs/dbraw/zinc/07/10/60/1038071060.db2.gz CURMKTCFRIEHKS-UHFFFAOYSA-N 1 0 314.360 3.945 20 5 DHBDRO CCCCC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000775315392 1038218481 /nfs/dbraw/zinc/21/84/81/1038218481.db2.gz DGUGDUFSZBALRS-INIZCTEOSA-N 1 0 316.405 3.703 20 5 DHBDRO CC[C@H](C)[NH2+][C@H](CNc1sccc1[N+](=O)[O-])c1ccco1 ZINC000588067106 1038224808 /nfs/dbraw/zinc/22/48/08/1038224808.db2.gz TXZYQDVJOGTZHZ-WDEREUQCSA-N 1 0 309.391 3.791 20 5 DHBDRO COCC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000571812120 1038257050 /nfs/dbraw/zinc/25/70/50/1038257050.db2.gz FRTQZVFEHCMWJC-UHFFFAOYSA-N 1 0 306.406 3.590 20 5 DHBDRO CN(Cc1cccc2ccccc21)Cc1cccnc1[N+](=O)[O-] ZINC001190375567 1038308119 /nfs/dbraw/zinc/30/81/19/1038308119.db2.gz QRIGTJGLWYAATK-UHFFFAOYSA-N 1 0 307.353 3.775 20 5 DHBDRO CC[C@](C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000775391395 1038331929 /nfs/dbraw/zinc/33/19/29/1038331929.db2.gz ULMHHFRPOVVVIU-MSOLQXFVSA-N 1 0 314.385 3.543 20 5 DHBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC(C)(C)CO1 ZINC001190529403 1038337854 /nfs/dbraw/zinc/33/78/54/1038337854.db2.gz SIMBGNOFZYJTCM-INIZCTEOSA-N 1 0 306.406 3.620 20 5 DHBDRO CCC[N@H+](C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001190562126 1038342490 /nfs/dbraw/zinc/34/24/90/1038342490.db2.gz ZLCWDSBCNUTLON-ZDUSSCGKSA-N 1 0 324.421 3.870 20 5 DHBDRO CC(C)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001190571762 1038346323 /nfs/dbraw/zinc/34/63/23/1038346323.db2.gz PLELDZLLELSIOL-UHFFFAOYSA-N 1 0 306.406 3.874 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000589200242 1038449148 /nfs/dbraw/zinc/44/91/48/1038449148.db2.gz YAOKVPOMRWAKTB-CVEARBPZSA-N 1 0 318.417 3.542 20 5 DHBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000589199931 1038449196 /nfs/dbraw/zinc/44/91/96/1038449196.db2.gz NPLXEGQBYGPFOE-DOTOQJQBSA-N 1 0 318.417 3.542 20 5 DHBDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001191744086 1038540699 /nfs/dbraw/zinc/54/06/99/1038540699.db2.gz YJPCMWJIDNJDDP-HOTGVXAUSA-N 1 0 306.406 3.620 20 5 DHBDRO CC(C)CC[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001192159176 1038594663 /nfs/dbraw/zinc/59/46/63/1038594663.db2.gz OSHKFFNUGOASOZ-HNNXBMFYSA-N 1 0 306.406 3.874 20 5 DHBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000590659577 1038686859 /nfs/dbraw/zinc/68/68/59/1038686859.db2.gz GBYANAXFHAQOIK-MRXNPFEDSA-N 1 0 312.369 3.680 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000591348274 1038838986 /nfs/dbraw/zinc/83/89/86/1038838986.db2.gz JCVDIHHCBUBXHA-ZFHGCVPZSA-N 1 0 318.417 3.908 20 5 DHBDRO CC[C@@H](OCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000593664455 1038998373 /nfs/dbraw/zinc/99/83/73/1038998373.db2.gz NUXJVUGAFJGUHQ-GOSISDBHSA-N 1 0 314.385 3.852 20 5 DHBDRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000599071792 1039026006 /nfs/dbraw/zinc/02/60/06/1039026006.db2.gz SWLOXKIXIWBECJ-CQSZACIVSA-N 1 0 313.401 3.927 20 5 DHBDRO CCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C(C)C)cn1 ZINC000593676442 1039043703 /nfs/dbraw/zinc/04/37/03/1039043703.db2.gz IUKKVGMEIFFXCQ-UHFFFAOYSA-N 1 0 316.405 3.530 20 5 DHBDRO CCC[C@@H]([NH2+][C@@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593715692 1039101287 /nfs/dbraw/zinc/10/12/87/1039101287.db2.gz AYFUOIVPKKFOKH-SUMWQHHRSA-N 1 0 306.406 3.841 20 5 DHBDRO CC[C@@H]([NH2+]CCc1ncc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000592097743 1039120105 /nfs/dbraw/zinc/12/01/05/1039120105.db2.gz JWMCLDMRZBQFPQ-QGZVFWFLSA-N 1 0 313.401 3.890 20 5 DHBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCC[C@H]3CCOC3)C2)cc1 ZINC000592126851 1039124362 /nfs/dbraw/zinc/12/43/62/1039124362.db2.gz RIOCGXHEODBTLX-RDJZCZTQSA-N 1 0 318.417 3.591 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592392412 1039176101 /nfs/dbraw/zinc/17/61/01/1039176101.db2.gz RSABKKNLTWLSOY-QWRGUYRKSA-N 1 0 316.348 3.935 20 5 DHBDRO C[C@H](c1ccccc1F)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603894838 1039216186 /nfs/dbraw/zinc/21/61/86/1039216186.db2.gz ZBBLPTYLNVQKOQ-CYBMUJFWSA-N 1 0 302.349 3.969 20 5 DHBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)cc1[N+](=O)[O-] ZINC000604013187 1039281264 /nfs/dbraw/zinc/28/12/64/1039281264.db2.gz NZWYUKUFYKOZMU-HNNXBMFYSA-N 1 0 304.390 3.758 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC34CCCC4)co2)cc1 ZINC000593037824 1039365993 /nfs/dbraw/zinc/36/59/93/1039365993.db2.gz CLEUNLFZVKNEPI-UHFFFAOYSA-N 1 0 313.357 3.768 20 5 DHBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000604473023 1039480578 /nfs/dbraw/zinc/48/05/78/1039480578.db2.gz DSLWBTAQFYPQQN-CYBMUJFWSA-N 1 0 305.403 3.680 20 5 DHBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000157916544 1039680735 /nfs/dbraw/zinc/68/07/35/1039680735.db2.gz UZUPAXJNVBXGIX-LBPRGKRZSA-N 1 0 300.811 3.624 20 5 DHBDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495001 1039796920 /nfs/dbraw/zinc/79/69/20/1039796920.db2.gz JYQAXCUTEKTAKI-LKFCYVNXSA-N 1 0 301.346 3.538 20 5 DHBDRO COc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])ccc1C ZINC000594502015 1039804725 /nfs/dbraw/zinc/80/47/25/1039804725.db2.gz BCWPRHGJBIDRRV-MRXNPFEDSA-N 1 0 312.369 3.689 20 5 DHBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594511873 1039814620 /nfs/dbraw/zinc/81/46/20/1039814620.db2.gz RYFTUXKHAORGDX-QGNVGDHZSA-N 1 0 316.401 3.545 20 5 DHBDRO CC[C@@H]([NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000594513599 1039815170 /nfs/dbraw/zinc/81/51/70/1039815170.db2.gz LWKKAXVAPZAACM-SWLSCSKDSA-N 1 0 322.405 3.613 20 5 DHBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594516860 1039819663 /nfs/dbraw/zinc/81/96/63/1039819663.db2.gz GRTVVOLISWSQBJ-ZMSDIMECSA-N 1 0 304.390 3.519 20 5 DHBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCCCO1 ZINC000594522491 1039830648 /nfs/dbraw/zinc/83/06/48/1039830648.db2.gz YSCNLPOEWUSJCO-KMFMINBZSA-N 1 0 306.406 3.902 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000594957907 1039963345 /nfs/dbraw/zinc/96/33/45/1039963345.db2.gz WTOLUYWZKJSSOY-DZXKJOIRSA-N 1 0 318.417 3.793 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000595013108 1039974675 /nfs/dbraw/zinc/97/46/75/1039974675.db2.gz QPPBBSXSDHBCOC-TZMCWYRMSA-N 1 0 312.369 3.594 20 5 DHBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1(F)F ZINC000594986005 1040001462 /nfs/dbraw/zinc/00/14/62/1040001462.db2.gz RMZCCBXARWMXPQ-HNNXBMFYSA-N 1 0 322.311 3.990 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccccc1C ZINC000595004030 1040013867 /nfs/dbraw/zinc/01/38/67/1040013867.db2.gz MOXNIFFPXQOQTH-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595056606 1040023806 /nfs/dbraw/zinc/02/38/06/1040023806.db2.gz NMMJRERWSMQYMQ-HIFRSBDPSA-N 1 0 306.406 3.759 20 5 DHBDRO CCOC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000595039670 1040045420 /nfs/dbraw/zinc/04/54/20/1040045420.db2.gz VEDGFQDZYCYATN-CYBMUJFWSA-N 1 0 322.405 3.603 20 5 DHBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCCO1 ZINC000595046207 1040048198 /nfs/dbraw/zinc/04/81/98/1040048198.db2.gz JUNAUGIXZSUWEJ-VBNZEHGJSA-N 1 0 322.405 3.602 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595054317 1040054677 /nfs/dbraw/zinc/05/46/77/1040054677.db2.gz ZQCUWTIHPFHCKK-APHBMKBZSA-N 1 0 322.405 3.602 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@H](c2ccccc2)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000595103656 1040066126 /nfs/dbraw/zinc/06/61/26/1040066126.db2.gz NOQCJGKNEIUWGZ-DEYYWGMASA-N 1 0 314.385 3.676 20 5 DHBDRO C[C@@]1(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1(F)F ZINC000595082413 1040073929 /nfs/dbraw/zinc/07/39/29/1040073929.db2.gz ZTGNZAMOXTUGFV-GDBMZVCRSA-N 1 0 324.371 3.941 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000595080166 1040073998 /nfs/dbraw/zinc/07/39/98/1040073998.db2.gz OEOOZQMETAFJHE-HZMBPMFUSA-N 1 0 314.332 3.689 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000595089892 1040074916 /nfs/dbraw/zinc/07/49/16/1040074916.db2.gz QDQUXGBUWZWIJU-SGTLLEGYSA-N 1 0 312.369 3.947 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000595084411 1040075581 /nfs/dbraw/zinc/07/55/81/1040075581.db2.gz FOTYKXAFXLLELM-DLBZAZTESA-N 1 0 310.353 3.565 20 5 DHBDRO CCC1CCC([N@H+](Cc2onc(C)c2[N+](=O)[O-])C2CC2)CC1 ZINC000595295540 1040092945 /nfs/dbraw/zinc/09/29/45/1040092945.db2.gz GWTNSEWBOCOYMM-UHFFFAOYSA-N 1 0 307.394 3.824 20 5 DHBDRO CC[C@@H](CC(F)F)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595485041 1040140609 /nfs/dbraw/zinc/14/06/09/1040140609.db2.gz QFPXXEHYBNWBFF-LBPRGKRZSA-N 1 0 300.349 3.751 20 5 DHBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595782950 1040252044 /nfs/dbraw/zinc/25/20/44/1040252044.db2.gz KNHITMWWDUPXRI-QGZVFWFLSA-N 1 0 322.380 3.515 20 5 DHBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000595909982 1040272096 /nfs/dbraw/zinc/27/20/96/1040272096.db2.gz FRJCPDGWHZYAPJ-UHFFFAOYSA-N 1 0 324.380 3.595 20 5 DHBDRO CCOc1cc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596306544 1040375880 /nfs/dbraw/zinc/37/58/80/1040375880.db2.gz FKSWKAKGNJNNEJ-CYBMUJFWSA-N 1 0 321.421 3.526 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc(C(F)(F)F)c1 ZINC000597119068 1040656870 /nfs/dbraw/zinc/65/68/70/1040656870.db2.gz PVGZQMCUCGUNCE-DDTOSNHZSA-N 1 0 314.307 3.892 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC1=CCSC1 ZINC000597246517 1040710423 /nfs/dbraw/zinc/71/04/23/1040710423.db2.gz VSNMXUZLRFOVJL-MDWZMJQESA-N 1 0 304.415 3.603 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCc3ccccc3N2)cc1 ZINC000593318394 1040716784 /nfs/dbraw/zinc/71/67/84/1040716784.db2.gz ORFZTHKYWBQEDV-INIZCTEOSA-N 1 0 311.385 3.501 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000593318596 1040717114 /nfs/dbraw/zinc/71/71/14/1040717114.db2.gz PUZIQHWOJYDQAK-INIZCTEOSA-N 1 0 311.385 3.501 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC000534179129 1040738229 /nfs/dbraw/zinc/73/82/29/1040738229.db2.gz PVFIKVVDDWMQQF-UHFFFAOYSA-N 1 0 316.788 3.849 20 5 DHBDRO O=[N+]([O-])c1cccc(CN2CCc3ccc(Cl)cc3C2)c1 ZINC000534168224 1040741289 /nfs/dbraw/zinc/74/12/89/1040741289.db2.gz ZDGSTQGHCUVCMF-UHFFFAOYSA-N 1 0 302.761 3.807 20 5 DHBDRO C[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000602020368 1040856697 /nfs/dbraw/zinc/85/66/97/1040856697.db2.gz KKDQEUCWSVNSRB-DZGCQCFKSA-N 1 0 311.385 3.845 20 5 DHBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1C2CCC1CC2 ZINC000602437128 1041033104 /nfs/dbraw/zinc/03/31/04/1041033104.db2.gz UZCFSLRKGRVOFX-UHFFFAOYSA-N 1 0 300.280 3.740 20 5 DHBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CC=CCC2)cc1Br ZINC000602551995 1041092500 /nfs/dbraw/zinc/09/25/00/1041092500.db2.gz MFAPBGBZTYVORL-QMMMGPOBSA-N 1 0 317.208 3.617 20 5 DHBDRO CC(C)[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000602573629 1041102557 /nfs/dbraw/zinc/10/25/57/1041102557.db2.gz SWRCBORBBYNOFE-SFHVURJKSA-N 1 0 313.401 3.562 20 5 DHBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc3cnccc3o2)C2CC2)cc1 ZINC000593567564 1041343163 /nfs/dbraw/zinc/34/31/63/1041343163.db2.gz SIUUOLYMBDMIIZ-UHFFFAOYSA-N 1 0 323.352 3.901 20 5 DHBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000142689505 186032204 /nfs/dbraw/zinc/03/22/04/186032204.db2.gz ACSPAYSNGBQDFG-UHFFFAOYSA-N 1 0 312.369 3.638 20 5 DHBDRO C[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104661655 194022893 /nfs/dbraw/zinc/02/28/93/194022893.db2.gz JVMLLIDPRWKMDF-ZDUSSCGKSA-N 1 0 315.373 3.667 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCCc2nccs2)cccc1[N+](=O)[O-] ZINC000271549597 129933453 /nfs/dbraw/zinc/93/34/53/129933453.db2.gz VOHPUEWCKXBOKS-GFCCVEGCSA-N 1 0 305.403 3.643 20 5 DHBDRO Cc1cccc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000271745111 129953963 /nfs/dbraw/zinc/95/39/63/129953963.db2.gz DITISDSGSNHWPD-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](C)c1nccs1 ZINC000273109160 130091023 /nfs/dbraw/zinc/09/10/23/130091023.db2.gz XBXPNBSADARDOF-NWDGAFQWSA-N 1 0 305.403 3.848 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281275311 130849032 /nfs/dbraw/zinc/84/90/32/130849032.db2.gz YTPRRFYTVMRNEM-QWHCGFSZSA-N 1 0 312.360 3.941 20 5 DHBDRO C[C@H]1CCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282146542 130903785 /nfs/dbraw/zinc/90/37/85/130903785.db2.gz SHVJWHFHTYPKQO-SWLSCSKDSA-N 1 0 315.373 3.571 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccccc3)CCC2)cc1F ZINC000283130846 130962309 /nfs/dbraw/zinc/96/23/09/130962309.db2.gz NLFYNJWQHNOJHL-UHFFFAOYSA-N 1 0 300.333 3.903 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCOCC3)CC2)c(Cl)c1 ZINC000284008287 131041010 /nfs/dbraw/zinc/04/10/10/131041010.db2.gz DWMDGKFQZKYQQX-UHFFFAOYSA-N 1 0 324.808 3.641 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CCOCC2)CC1 ZINC000284695244 131104516 /nfs/dbraw/zinc/10/45/16/131104516.db2.gz HSDRHDLPMREPIH-HNNXBMFYSA-N 1 0 318.417 3.857 20 5 DHBDRO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285225208 131148763 /nfs/dbraw/zinc/14/87/63/131148763.db2.gz OZZPYJVHNGMVEA-JTQLQIEISA-N 1 0 321.327 3.965 20 5 DHBDRO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000285526538 131178068 /nfs/dbraw/zinc/17/80/68/131178068.db2.gz FEUQHQRFALSYTJ-UHFFFAOYSA-N 1 0 303.362 3.533 20 5 DHBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]2c2ccncc2)c(F)c1 ZINC000285771912 131201900 /nfs/dbraw/zinc/20/19/00/131201900.db2.gz WTFXFHZKOSJABY-INIZCTEOSA-N 1 0 319.311 3.605 20 5 DHBDRO Cc1cccc(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000287602898 131290036 /nfs/dbraw/zinc/29/00/36/131290036.db2.gz SBDVGAZEWGPPSD-OAHLLOKOSA-N 1 0 313.401 3.890 20 5 DHBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289270986 131369995 /nfs/dbraw/zinc/36/99/95/131369995.db2.gz FCLGLZJVALHXAN-AWEZNQCLSA-N 1 0 309.369 3.840 20 5 DHBDRO Cc1cc(F)ccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000317165996 331466097 /nfs/dbraw/zinc/46/60/97/331466097.db2.gz VTUYYRYKCGMSLI-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000530476525 331490961 /nfs/dbraw/zinc/49/09/61/331490961.db2.gz RXZVAWLLLUJHIQ-HPUBIQBYSA-N 1 0 317.433 3.571 20 5 DHBDRO COC[C@H](C)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180245614 331564752 /nfs/dbraw/zinc/56/47/52/331564752.db2.gz IWTANVLRWUENDW-RDTXWAMCSA-N 1 0 314.385 3.556 20 5 DHBDRO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1cccc([N+](=O)[O-])c1 ZINC000079724032 331682991 /nfs/dbraw/zinc/68/29/91/331682991.db2.gz DRKNLBCKAKMQAA-CYBMUJFWSA-N 1 0 307.353 3.994 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CCN(c1cc[nH+]c3ccccc31)C2 ZINC000533801560 331698202 /nfs/dbraw/zinc/69/82/02/331698202.db2.gz YUBYTUCOJLZABD-UHFFFAOYSA-N 1 0 305.337 3.706 20 5 DHBDRO CCOCC(C)(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000559321581 332024844 /nfs/dbraw/zinc/02/48/44/332024844.db2.gz GUNIHNYENLCCIY-UHFFFAOYSA-N 1 0 318.373 3.760 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000448020063 332178750 /nfs/dbraw/zinc/17/87/50/332178750.db2.gz AGAUUPGHIUGBEN-OFQRWUPVSA-N 1 0 320.458 3.649 20 5 DHBDRO COCC1(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000559879007 332288795 /nfs/dbraw/zinc/28/87/95/332288795.db2.gz SOSULAYIMVSWRS-AWEZNQCLSA-N 1 0 306.406 3.761 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000559897846 332291075 /nfs/dbraw/zinc/29/10/75/332291075.db2.gz RVNMIBUUHWWOAY-GDBMZVCRSA-N 1 0 320.433 3.743 20 5 DHBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CO1 ZINC000583381034 332376323 /nfs/dbraw/zinc/37/63/23/332376323.db2.gz SLINLCBVHCFJAK-WCQYABFASA-N 1 0 318.398 3.590 20 5 DHBDRO COCC1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000583428145 332402856 /nfs/dbraw/zinc/40/28/56/332402856.db2.gz BZBHYMYYPRWNGM-NFOMZHRRSA-N 1 0 306.406 3.759 20 5 DHBDRO Cc1c(C[NH2+][C@H]2CCc3c2cccc3F)cccc1[N+](=O)[O-] ZINC000318136501 332609558 /nfs/dbraw/zinc/60/95/58/332609558.db2.gz DPIVALBMSNTIMA-INIZCTEOSA-N 1 0 300.333 3.819 20 5 DHBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000584330214 333034370 /nfs/dbraw/zinc/03/43/70/333034370.db2.gz ZDQYTAUIYMTQTC-ZFWWWQNUSA-N 1 0 318.398 3.590 20 5 DHBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000173341663 333072524 /nfs/dbraw/zinc/07/25/24/333072524.db2.gz KCPMIQYLIJIGDE-MEDUHNTESA-N 1 0 320.776 3.632 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000314085482 333086458 /nfs/dbraw/zinc/08/64/58/333086458.db2.gz WQMWQKNXSWMKFA-CYBMUJFWSA-N 1 0 302.349 3.936 20 5 DHBDRO COC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000537985172 333171289 /nfs/dbraw/zinc/17/12/89/333171289.db2.gz VKKKRORJFRBCAI-SJCJKPOMSA-N 1 0 318.348 3.772 20 5 DHBDRO C[C@@H](C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000183989423 333190773 /nfs/dbraw/zinc/19/07/73/333190773.db2.gz BDWOMHGPKLWEFU-RYUDHWBXSA-N 1 0 305.403 3.848 20 5 DHBDRO CCC[C@H](NCC[N@H+](C)[C@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000318973221 333236052 /nfs/dbraw/zinc/23/60/52/333236052.db2.gz HPVAHOMGTDKASN-PBHICJAKSA-N 1 0 307.438 3.756 20 5 DHBDRO Cc1ccc(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000390603555 333305759 /nfs/dbraw/zinc/30/57/59/333305759.db2.gz GGPARFCSNRZUKO-KBXCAEBGSA-N 1 0 319.449 3.503 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000526063204 333390449 /nfs/dbraw/zinc/39/04/49/333390449.db2.gz QDAXVEIQMDNKKN-DUYRLRNSSA-N 1 0 306.431 3.824 20 5 DHBDRO Cc1nc(C)c([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000062726373 333437650 /nfs/dbraw/zinc/43/76/50/333437650.db2.gz HHKBIUASZIOFKC-JTQLQIEISA-N 1 0 305.403 3.561 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000563418168 333602693 /nfs/dbraw/zinc/60/26/93/333602693.db2.gz OXIPLTJAJCUROR-GUYCJALGSA-N 1 0 324.380 3.738 20 5 DHBDRO COCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152092702 333605278 /nfs/dbraw/zinc/60/52/78/333605278.db2.gz ZBPDNNHYHDCHIQ-LLVKDONJSA-N 1 0 306.387 3.620 20 5 DHBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000411894967 333713136 /nfs/dbraw/zinc/71/31/36/333713136.db2.gz UCVNPNQWTFPLAG-XZOAIXRZSA-N 1 0 312.369 3.558 20 5 DHBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)OCC2CC2)cc1[N+](=O)[O-] ZINC000414241486 333918706 /nfs/dbraw/zinc/91/87/06/333918706.db2.gz LLZWGJURJHXQJO-CYBMUJFWSA-N 1 0 306.406 3.759 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000414343332 333942698 /nfs/dbraw/zinc/94/26/98/333942698.db2.gz JPXCVEFLUSOHHB-MRVWCRGKSA-N 1 0 316.357 3.793 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414539256 334012942 /nfs/dbraw/zinc/01/29/42/334012942.db2.gz MXDAWEBUQGBBNT-KRWDZBQOSA-N 1 0 318.417 3.540 20 5 DHBDRO CC(C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000414561231 334019192 /nfs/dbraw/zinc/01/91/92/334019192.db2.gz SCTTVMOZPKSBPZ-YVMONPNESA-N 1 0 311.385 3.570 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000340504352 334223872 /nfs/dbraw/zinc/22/38/72/334223872.db2.gz GBPREAIGFJIAII-KRWDZBQOSA-N 1 0 312.369 3.510 20 5 DHBDRO C[C@H]([NH2+]Cc1ccccc1OC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000296273516 334231098 /nfs/dbraw/zinc/23/10/98/334231098.db2.gz KLGLPBXIAMMCFI-ZDUSSCGKSA-N 1 0 312.369 3.987 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCSc1ccccc1)C2 ZINC000534512106 334278083 /nfs/dbraw/zinc/27/80/83/334278083.db2.gz NIHPFONIYBADEB-UHFFFAOYSA-N 1 0 314.410 3.745 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N1CCC[C@@H](C)C1 ZINC000531937945 334295801 /nfs/dbraw/zinc/29/58/01/334295801.db2.gz ZFLMOJVPHOXSIH-KBMXLJTQSA-N 1 0 319.449 3.674 20 5 DHBDRO C[NH+](C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccsc1 ZINC000341740695 334475570 /nfs/dbraw/zinc/47/55/70/334475570.db2.gz GRVRVUJMTFIFBE-ZDUSSCGKSA-N 1 0 309.366 3.510 20 5 DHBDRO C[NH+](C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccsc1 ZINC000341740694 334475635 /nfs/dbraw/zinc/47/56/35/334475635.db2.gz GRVRVUJMTFIFBE-CYBMUJFWSA-N 1 0 309.366 3.510 20 5 DHBDRO C[NH+](C)Cc1cc(CNc2c(F)cccc2[N+](=O)[O-])ccc1F ZINC000342419631 334534993 /nfs/dbraw/zinc/53/49/93/334534993.db2.gz ULGUUWYJQINQGW-UHFFFAOYSA-N 1 0 321.327 3.547 20 5 DHBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417345370 334705923 /nfs/dbraw/zinc/70/59/23/334705923.db2.gz UEQMAHGNYXVKKJ-RPVQJOFSSA-N 1 0 318.417 3.910 20 5 DHBDRO C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417331163 334709283 /nfs/dbraw/zinc/70/92/83/334709283.db2.gz LXIYVYHEAXABHF-QIIPPGSGSA-N 1 0 318.417 3.625 20 5 DHBDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000343651762 335185176 /nfs/dbraw/zinc/18/51/76/335185176.db2.gz LHFWFQQJGPQDNO-AWEZNQCLSA-N 1 0 316.332 3.520 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1ccccn1 ZINC000344788511 335277284 /nfs/dbraw/zinc/27/72/84/335277284.db2.gz FZQLNOHMOITDPQ-NTCAYCPXSA-N 1 0 311.385 3.616 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc(C)s1 ZINC000344832653 335278900 /nfs/dbraw/zinc/27/89/00/335278900.db2.gz SMYRXOKSFPUBTH-WDZFZDKYSA-N 1 0 303.387 3.553 20 5 DHBDRO CO[C@H](CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000345440027 335330080 /nfs/dbraw/zinc/33/00/80/335330080.db2.gz AEICVYMCUCDYRE-ZWNOBZJWSA-N 1 0 320.311 3.521 20 5 DHBDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444687465 338482702 /nfs/dbraw/zinc/48/27/02/338482702.db2.gz VDGYSJIMJFMHFN-ZIAGYGMSSA-N 1 0 316.405 3.776 20 5 DHBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000332025699 336156088 /nfs/dbraw/zinc/15/60/88/336156088.db2.gz RTLNFPZILYPAKO-IAQYHMDHSA-N 1 0 306.431 3.802 20 5 DHBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000332025693 336156096 /nfs/dbraw/zinc/15/60/96/336156096.db2.gz RTLNFPZILYPAKO-ABAIWWIYSA-N 1 0 306.431 3.802 20 5 DHBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000332195707 336162385 /nfs/dbraw/zinc/16/23/85/336162385.db2.gz RLIUZXGYMITEKB-UHFFFAOYSA-N 1 0 302.378 3.626 20 5 DHBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352370650 336214723 /nfs/dbraw/zinc/21/47/23/336214723.db2.gz BPAVYRXJFNJGQY-KBPBESRZSA-N 1 0 316.373 3.637 20 5 DHBDRO CCS[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352426755 336217909 /nfs/dbraw/zinc/21/79/09/336217909.db2.gz XUDCUIJUVGKGOA-AWEZNQCLSA-N 1 0 324.446 3.711 20 5 DHBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352609487 336226834 /nfs/dbraw/zinc/22/68/34/336226834.db2.gz UGVJMSDOWOHXDO-GXTWGEPZSA-N 1 0 312.410 3.840 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000532584509 336256486 /nfs/dbraw/zinc/25/64/86/336256486.db2.gz YNXGYVHIORBQMZ-OAHLLOKOSA-N 1 0 317.433 3.606 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCSC3)s2)cc1 ZINC000526992020 336278223 /nfs/dbraw/zinc/27/82/23/336278223.db2.gz VBBDZEQXWVAOTE-GFCCVEGCSA-N 1 0 320.439 3.918 20 5 DHBDRO COCC[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102426399 336287336 /nfs/dbraw/zinc/28/73/36/336287336.db2.gz XXOAIIIJBQSYQM-LBPRGKRZSA-N 1 0 320.414 3.838 20 5 DHBDRO O=[N+]([O-])c1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000301056060 336287573 /nfs/dbraw/zinc/28/75/73/336287573.db2.gz JUSLQTMTWMCLJX-OAHLLOKOSA-N 1 0 317.414 3.905 20 5 DHBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)[NH+](C)C ZINC000301061261 336287892 /nfs/dbraw/zinc/28/78/92/336287892.db2.gz DYGBRDOOCCXALM-ZDUSSCGKSA-N 1 0 316.405 3.531 20 5 DHBDRO C[C@@H]([NH2+]C(C)(C)CNc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000301179395 336293608 /nfs/dbraw/zinc/29/36/08/336293608.db2.gz HEZFGDKGCNFWNB-CYBMUJFWSA-N 1 0 314.389 3.531 20 5 DHBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000301186970 336293977 /nfs/dbraw/zinc/29/39/77/336293977.db2.gz PUCHMGQZNVIPKL-HNNXBMFYSA-N 1 0 315.373 3.745 20 5 DHBDRO O=[N+]([O-])c1ccccc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000301560111 336314897 /nfs/dbraw/zinc/31/48/97/336314897.db2.gz UMESAVJGKRMYQJ-UHFFFAOYSA-N 1 0 303.406 3.804 20 5 DHBDRO C[NH+](C)CC1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301780575 336329400 /nfs/dbraw/zinc/32/94/00/336329400.db2.gz JBWJWMHPYPGDAP-UHFFFAOYSA-N 1 0 311.813 3.781 20 5 DHBDRO CCCC[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301786315 336329783 /nfs/dbraw/zinc/32/97/83/336329783.db2.gz LSYROBSXXRULOL-UHFFFAOYSA-N 1 0 313.348 3.549 20 5 DHBDRO C[NH+](C)[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000301800845 336330928 /nfs/dbraw/zinc/33/09/28/336330928.db2.gz SZKGUUQHJCIDKH-OAHLLOKOSA-N 1 0 321.327 3.588 20 5 DHBDRO O=[N+]([O-])c1cc(F)c(NCCC[NH2+]C2CCCCC2)c(F)c1 ZINC000301813252 336331779 /nfs/dbraw/zinc/33/17/79/336331779.db2.gz YVYMASVWGAKIOF-UHFFFAOYSA-N 1 0 313.348 3.597 20 5 DHBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000301842160 336333633 /nfs/dbraw/zinc/33/36/33/336333633.db2.gz QBKOTKDIDHLHIL-IAGOWNOFSA-N 1 0 315.348 3.591 20 5 DHBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302031746 336344292 /nfs/dbraw/zinc/34/42/92/336344292.db2.gz CHYFRVVLBXZGMS-KBPBESRZSA-N 1 0 303.406 3.660 20 5 DHBDRO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302052746 336345712 /nfs/dbraw/zinc/34/57/12/336345712.db2.gz OYLSVPROBGKCFC-QWHCGFSZSA-N 1 0 321.396 3.799 20 5 DHBDRO CC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CCS1 ZINC000302154204 336351182 /nfs/dbraw/zinc/35/11/82/336351182.db2.gz IKPUALJLCXRWPG-CYBMUJFWSA-N 1 0 317.414 3.783 20 5 DHBDRO Cc1cc(N2C[C@@H](C)S[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302159749 336351512 /nfs/dbraw/zinc/35/15/12/336351512.db2.gz JOVVVSMFKHGAPC-VXGBXAGGSA-N 1 0 317.414 3.782 20 5 DHBDRO CCOc1cccc(NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000302219183 336354582 /nfs/dbraw/zinc/35/45/82/336354582.db2.gz LLORNVZXMHWHMD-UHFFFAOYSA-N 1 0 321.421 3.668 20 5 DHBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CC[C@@H]3C3CCC3)c2c1 ZINC000571678996 336392374 /nfs/dbraw/zinc/39/23/74/336392374.db2.gz FCGLLKRCHUGUCE-WBVHZDCISA-N 1 0 313.401 3.787 20 5 DHBDRO COCc1cc([N+](=O)[O-])ccc1NCCC[NH+](C(C)C)C(C)C ZINC000353450372 336418570 /nfs/dbraw/zinc/41/85/70/336418570.db2.gz PSWXTFBXORQCJE-UHFFFAOYSA-N 1 0 323.437 3.662 20 5 DHBDRO CC[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353947197 336450661 /nfs/dbraw/zinc/45/06/61/336450661.db2.gz LFAANEYTKNTPJB-GFCCVEGCSA-N 1 0 302.296 3.978 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC000354715571 336479583 /nfs/dbraw/zinc/47/95/83/336479583.db2.gz WZSYIRMPSIAPOT-OLZOCXBDSA-N 1 0 316.357 3.512 20 5 DHBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000358368663 336626880 /nfs/dbraw/zinc/62/68/80/336626880.db2.gz OSDFGGUGMMRIFF-SFHVURJKSA-N 1 0 314.385 3.887 20 5 DHBDRO CC[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000359043542 336654911 /nfs/dbraw/zinc/65/49/11/336654911.db2.gz DMFDNPAGQPMERY-GOEBONIOSA-N 1 0 308.422 3.823 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000116922985 336849814 /nfs/dbraw/zinc/84/98/14/336849814.db2.gz PBDLYXABWHYTPJ-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000374329245 336987420 /nfs/dbraw/zinc/98/74/20/336987420.db2.gz JWKHEUDROCENQI-WMLDXEAASA-N 1 0 311.385 3.806 20 5 DHBDRO C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000375635264 337015316 /nfs/dbraw/zinc/01/53/16/337015316.db2.gz BOLPBWKOAWJCMX-AWEZNQCLSA-N 1 0 311.385 3.762 20 5 DHBDRO Cc1c([C@@H](C)NC2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000376593961 337037562 /nfs/dbraw/zinc/03/75/62/337037562.db2.gz BTLQOEZMNCTJBX-QQFBHYJXSA-N 1 0 317.433 3.571 20 5 DHBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583704105 337092338 /nfs/dbraw/zinc/09/23/38/337092338.db2.gz VEIMFVNKCNNICQ-BFYDXBDKSA-N 1 0 304.390 3.519 20 5 DHBDRO Cc1nc(C(C)(C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)sc1C ZINC000173960917 337138002 /nfs/dbraw/zinc/13/80/02/337138002.db2.gz RZFRJTXYPVSMKU-UHFFFAOYSA-N 1 0 319.430 3.736 20 5 DHBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000174349415 337140946 /nfs/dbraw/zinc/14/09/46/337140946.db2.gz JKLRWVBRFQKMLR-VXGBXAGGSA-N 1 0 300.449 3.762 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000180259668 337175528 /nfs/dbraw/zinc/17/55/28/337175528.db2.gz PMBFRDIAGUKFAJ-DZGCQCFKSA-N 1 0 322.405 3.603 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cncc(C)c2)cc1[N+](=O)[O-] ZINC000181834989 337184797 /nfs/dbraw/zinc/18/47/97/337184797.db2.gz HLXSNOFQHZSIBR-ZDUSSCGKSA-N 1 0 315.373 3.548 20 5 DHBDRO C[C@@H](c1ccc(F)cc1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000583053443 337230269 /nfs/dbraw/zinc/23/02/69/337230269.db2.gz CPLYXFXNOSNFJK-LBPRGKRZSA-N 1 0 316.332 3.690 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000321303899 337255771 /nfs/dbraw/zinc/25/57/71/337255771.db2.gz NCPGXAHHPSYLRK-XJKSGUPXSA-N 1 0 312.369 3.558 20 5 DHBDRO CCC[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000321703271 337284552 /nfs/dbraw/zinc/28/45/52/337284552.db2.gz NZHPHQAXLWOJQN-QGZVFWFLSA-N 1 0 319.449 3.900 20 5 DHBDRO CC[C@@H]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000421384463 337529699 /nfs/dbraw/zinc/52/96/99/337529699.db2.gz MMUVCSMLMLJADD-NSBLKUNKSA-N 1 0 304.390 3.545 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000248926550 337568712 /nfs/dbraw/zinc/56/87/12/337568712.db2.gz XHEDPXSBTVFYBD-YLQAJVPDSA-N 1 0 304.390 3.511 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]CCCC2(O)CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000421857083 337650599 /nfs/dbraw/zinc/65/05/99/337650599.db2.gz OGTMDGOZZXSKRS-MRXNPFEDSA-N 1 0 318.417 3.602 20 5 DHBDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000120131269 337869138 /nfs/dbraw/zinc/86/91/38/337869138.db2.gz FLKODTXAXYDKMI-AWEZNQCLSA-N 1 0 314.385 3.805 20 5 DHBDRO C[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000120476539 337876707 /nfs/dbraw/zinc/87/67/07/337876707.db2.gz SHISSCAYMVVSFK-DYVFJYSZSA-N 1 0 306.406 3.577 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000430093858 338096063 /nfs/dbraw/zinc/09/60/63/338096063.db2.gz HKXKUCQKYQXLEY-KIIBNJGVSA-N 1 0 322.355 3.975 20 5 DHBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000430196148 338100771 /nfs/dbraw/zinc/10/07/71/338100771.db2.gz QEBUQCWTOXOPHN-LBPRGKRZSA-N 1 0 320.311 3.670 20 5 DHBDRO CC[C@H]1CC[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000430196980 338100974 /nfs/dbraw/zinc/10/09/74/338100974.db2.gz SZCVDTZOYZEABT-LBPRGKRZSA-N 1 0 316.357 3.848 20 5 DHBDRO CCS[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430235662 338102559 /nfs/dbraw/zinc/10/25/59/338102559.db2.gz FGXGBPKUYGUUCU-HNNXBMFYSA-N 1 0 324.446 3.711 20 5 DHBDRO Cc1ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000432252063 338151079 /nfs/dbraw/zinc/15/10/79/338151079.db2.gz DQXUFZXWFZRNNT-UHFFFAOYSA-N 1 0 320.433 3.977 20 5 DHBDRO CC(C)[N@H+](C)CCCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433172021 338184016 /nfs/dbraw/zinc/18/40/16/338184016.db2.gz BTTMPAMYACJFKH-QGZVFWFLSA-N 1 0 319.449 3.637 20 5 DHBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCCCO1 ZINC000433215736 338186213 /nfs/dbraw/zinc/18/62/13/338186213.db2.gz RBXSMABSQUOCKV-AFAVFJNCSA-N 1 0 318.417 3.864 20 5 DHBDRO CC(C)(CCCO)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288484 338189393 /nfs/dbraw/zinc/18/93/93/338189393.db2.gz ZKHQBRGQKJAXJX-INIZCTEOSA-N 1 0 320.433 3.706 20 5 DHBDRO CC1(C)C[C@H]([NH2+]CCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433287797 338189482 /nfs/dbraw/zinc/18/94/82/338189482.db2.gz LJCAHNFXDMAJIQ-LBPRGKRZSA-N 1 0 302.296 3.859 20 5 DHBDRO CC(C)N(C)c1ccccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000438326732 338339791 /nfs/dbraw/zinc/33/97/91/338339791.db2.gz KHOMFECSUOGCHT-UHFFFAOYSA-N 1 0 313.401 3.729 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1CNc1[nH+]ccn1-c1ccccc1 ZINC000438928376 338356283 /nfs/dbraw/zinc/35/62/83/338356283.db2.gz IHBNPKORHZLQJK-UHFFFAOYSA-N 1 0 308.341 3.701 20 5 DHBDRO CC(C)CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447585695 338559488 /nfs/dbraw/zinc/55/94/88/338559488.db2.gz KARRPNCRPWCIFL-HUUCEWRRSA-N 1 0 320.437 3.691 20 5 DHBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449104511 338593949 /nfs/dbraw/zinc/59/39/49/338593949.db2.gz FZBNTBUPFGNACP-ZIAGYGMSSA-N 1 0 314.385 3.885 20 5 DHBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449205735 338602270 /nfs/dbraw/zinc/60/22/70/338602270.db2.gz OXKNQIAQMNONFD-ZIAGYGMSSA-N 1 0 313.401 3.834 20 5 DHBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000449304756 338611250 /nfs/dbraw/zinc/61/12/50/338611250.db2.gz PWXAVYWPXCYWBK-CQSZACIVSA-N 1 0 323.396 3.839 20 5 DHBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cs1 ZINC000449620697 338642011 /nfs/dbraw/zinc/64/20/11/338642011.db2.gz FSESCMODPPFECS-VXGBXAGGSA-N 1 0 324.427 3.728 20 5 DHBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(C2CC2)o1 ZINC000449706646 338647323 /nfs/dbraw/zinc/64/73/23/338647323.db2.gz NZUMLTTXLRRIKT-LBPRGKRZSA-N 1 0 315.373 3.571 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000450878151 338710108 /nfs/dbraw/zinc/71/01/08/338710108.db2.gz RSSDIJGFVRXPDE-UHFFFAOYSA-N 1 0 309.797 3.677 20 5 DHBDRO COc1cc(C[NH2+][C@H](C)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000452083490 338753100 /nfs/dbraw/zinc/75/31/00/338753100.db2.gz JWWXEXRAUJCCFU-CYBMUJFWSA-N 1 0 300.358 3.763 20 5 DHBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000453301275 338820980 /nfs/dbraw/zinc/82/09/80/338820980.db2.gz XKRXFPRFIAKEOC-OBJOEFQTSA-N 1 0 312.360 3.939 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)C1CC1 ZINC000453320485 338824483 /nfs/dbraw/zinc/82/44/83/338824483.db2.gz PETHATTWPHFPRD-GJZGRUSLSA-N 1 0 324.371 3.941 20 5 DHBDRO CCOc1ccc([C@@H](C)[NH2+]CCOC(C)(C)CC)cc1[N+](=O)[O-] ZINC000453405632 338839258 /nfs/dbraw/zinc/83/92/58/338839258.db2.gz JPDAHKHDFTZOAS-CYBMUJFWSA-N 1 0 324.421 3.849 20 5 DHBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000459431715 339028806 /nfs/dbraw/zinc/02/88/06/339028806.db2.gz SVQPGTOESVPSIK-QXSJWSMHSA-N 1 0 324.446 3.545 20 5 DHBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC(C)(C)C1 ZINC000459748925 339046063 /nfs/dbraw/zinc/04/60/63/339046063.db2.gz XRXSZBFLQHZFTO-UHFFFAOYSA-N 1 0 315.373 3.870 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)o2)c1 ZINC000459767227 339047338 /nfs/dbraw/zinc/04/73/38/339047338.db2.gz PERQCMFHADNMPX-ZFWWWQNUSA-N 1 0 316.382 3.545 20 5 DHBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459785318 339048501 /nfs/dbraw/zinc/04/85/01/339048501.db2.gz ARKWXSHHWSNXTI-QWHCGFSZSA-N 1 0 322.405 3.565 20 5 DHBDRO Cc1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000462933916 339098331 /nfs/dbraw/zinc/09/83/31/339098331.db2.gz YCEIEUOJMIBNMK-INIZCTEOSA-N 1 0 303.406 3.580 20 5 DHBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000464067268 339132816 /nfs/dbraw/zinc/13/28/16/339132816.db2.gz BROJWLGTBCLVGV-CVEARBPZSA-N 1 0 306.406 3.585 20 5 DHBDRO C[N@H+](CCc1cccs1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464762222 339151501 /nfs/dbraw/zinc/15/15/01/339151501.db2.gz UFLKDTBWELRPEJ-UHFFFAOYSA-N 1 0 310.806 3.984 20 5 DHBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464772981 339152301 /nfs/dbraw/zinc/15/23/01/339152301.db2.gz KBLWHFQBFBNGSD-CVEARBPZSA-N 1 0 308.447 3.743 20 5 DHBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000466472918 339206550 /nfs/dbraw/zinc/20/65/50/339206550.db2.gz IRAHKCHMAWPKCA-HZPDHXFCSA-N 1 0 324.808 3.543 20 5 DHBDRO Cc1cncc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000467638619 339243888 /nfs/dbraw/zinc/24/38/88/339243888.db2.gz SJERXNODUAHGDN-GFCCVEGCSA-N 1 0 319.792 3.845 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000468009520 339251146 /nfs/dbraw/zinc/25/11/46/339251146.db2.gz MVLJKFJQSLUSIA-UHFFFAOYSA-N 1 0 308.740 3.720 20 5 DHBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000468011985 339251225 /nfs/dbraw/zinc/25/12/25/339251225.db2.gz PEXOYSFAXBSFBN-AWEZNQCLSA-N 1 0 314.385 3.887 20 5 DHBDRO CC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000468554315 339266238 /nfs/dbraw/zinc/26/62/38/339266238.db2.gz MQAZALVIFHUJNH-RHSMWYFYSA-N 1 0 320.433 3.711 20 5 DHBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCCCCC1 ZINC000468559014 339266428 /nfs/dbraw/zinc/26/64/28/339266428.db2.gz GGRCEVZZFCBHLJ-OAHLLOKOSA-N 1 0 320.433 3.591 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000468627843 339267409 /nfs/dbraw/zinc/26/74/09/339267409.db2.gz OTDPMNBHQVPPGZ-PMXLPMHFSA-N 1 0 318.417 3.529 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccccc1O ZINC000468635990 339267700 /nfs/dbraw/zinc/26/77/00/339267700.db2.gz VUJVXUAPYKSJNL-SDNWHVSQSA-N 1 0 312.369 3.536 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(O)cc1 ZINC000468641501 339267758 /nfs/dbraw/zinc/26/77/58/339267758.db2.gz DAOAYFVYYXUFFQ-SDNWHVSQSA-N 1 0 312.369 3.536 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCSCC1 ZINC000468643067 339267780 /nfs/dbraw/zinc/26/77/80/339267780.db2.gz WNZRTQKQKHYAGW-UKTHLTGXSA-N 1 0 306.431 3.731 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000469078368 339279472 /nfs/dbraw/zinc/27/94/72/339279472.db2.gz SOHMBPMVTYFZGJ-VOKWIDLSSA-N 1 0 318.417 3.529 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCn2cccc2[C@H]1C ZINC000470169027 339312576 /nfs/dbraw/zinc/31/25/76/339312576.db2.gz AQVIKXUCLOLXJH-QKXCFHHRSA-N 1 0 311.385 3.876 20 5 DHBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCc1nccs1 ZINC000470175705 339312812 /nfs/dbraw/zinc/31/28/12/339312812.db2.gz RRCADOXNYDLJDG-JLHYYAGUSA-N 1 0 317.414 3.629 20 5 DHBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCc1ccncc1 ZINC000470204148 339314122 /nfs/dbraw/zinc/31/41/22/339314122.db2.gz UDYRKUAPPSVMNP-QINSGFPZSA-N 1 0 311.385 3.568 20 5 DHBDRO CCOC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000474013810 339397063 /nfs/dbraw/zinc/39/70/63/339397063.db2.gz BBCMYNGCOGGLML-INIZCTEOSA-N 1 0 308.422 3.869 20 5 DHBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(C(F)F)CC3)o2)cc1 ZINC000475210646 339441746 /nfs/dbraw/zinc/44/17/46/339441746.db2.gz JJTZLECXWCVAMR-UHFFFAOYSA-N 1 0 322.311 3.990 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1(C(F)F)CC1 ZINC000475212313 339441815 /nfs/dbraw/zinc/44/18/15/339441815.db2.gz DDVNFIWYUSQJBY-GXTWGEPZSA-N 1 0 324.371 3.941 20 5 DHBDRO CCC(CC)[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000478249956 339511534 /nfs/dbraw/zinc/51/15/34/339511534.db2.gz HNELCEHFCSNBQK-INIZCTEOSA-N 1 0 312.385 3.665 20 5 DHBDRO CCC(=O)c1ccc(N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000480009336 339555291 /nfs/dbraw/zinc/55/52/91/339555291.db2.gz HUFYFPJOHZEZND-LBPRGKRZSA-N 1 0 321.421 3.576 20 5 DHBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000488447771 339782969 /nfs/dbraw/zinc/78/29/69/339782969.db2.gz KNVTYPOZVQTPME-UKRRQHHQSA-N 1 0 308.447 3.647 20 5 DHBDRO CCC(CC)(C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000492228571 339894804 /nfs/dbraw/zinc/89/48/04/339894804.db2.gz XEWQIVRSEFTHOW-UVTDQMKNSA-N 1 0 306.406 3.793 20 5 DHBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1C ZINC000494974799 339968168 /nfs/dbraw/zinc/96/81/68/339968168.db2.gz CZYXPOGAODKLGQ-JRKPZEMJSA-N 1 0 302.296 3.748 20 5 DHBDRO CC(C)c1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000503926715 340137139 /nfs/dbraw/zinc/13/71/39/340137139.db2.gz GZACOGIDNUGUNR-UKRRQHHQSA-N 1 0 306.406 3.623 20 5 DHBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccccc1F ZINC000505639422 340173856 /nfs/dbraw/zinc/17/38/56/340173856.db2.gz QFYVEWUMXRGDMY-UHFFFAOYSA-N 1 0 318.348 3.765 20 5 DHBDRO COc1cc(C[N@H+](C)C2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000506146556 340186834 /nfs/dbraw/zinc/18/68/34/340186834.db2.gz DPTYCWUWUPMLQP-UHFFFAOYSA-N 1 0 322.405 3.767 20 5 DHBDRO CC[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000506354518 340193011 /nfs/dbraw/zinc/19/30/11/340193011.db2.gz BSMWWIZVVCGEFK-UHFFFAOYSA-N 1 0 304.321 3.978 20 5 DHBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)c1ccccc1[N+](=O)[O-] ZINC000507245595 340215418 /nfs/dbraw/zinc/21/54/18/340215418.db2.gz BTXPDAROWZIVNC-NWDGAFQWSA-N 1 0 310.357 3.883 20 5 DHBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000507245598 340215569 /nfs/dbraw/zinc/21/55/69/340215569.db2.gz BTXPDAROWZIVNC-VXGBXAGGSA-N 1 0 310.357 3.883 20 5 DHBDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000509515911 340271957 /nfs/dbraw/zinc/27/19/57/340271957.db2.gz LZLFLIIHQUBPQH-DZGCQCFKSA-N 1 0 312.369 3.639 20 5 DHBDRO C[C@H](CCc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000509913317 340282620 /nfs/dbraw/zinc/28/26/20/340282620.db2.gz PBGBMHHYBZQGOU-CYBMUJFWSA-N 1 0 324.384 3.582 20 5 DHBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000511000023 340317741 /nfs/dbraw/zinc/31/77/41/340317741.db2.gz PXLXSVKHPWPYNV-LSDHHAIUSA-N 1 0 308.809 3.959 20 5 DHBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000511760374 340337389 /nfs/dbraw/zinc/33/73/89/340337389.db2.gz WZCMBENDHBJHJK-ARJAWSKDSA-N 1 0 318.323 3.719 20 5 DHBDRO COc1ccc(C[NH2+]CC[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000512235268 340353485 /nfs/dbraw/zinc/35/34/85/340353485.db2.gz WLNVPHAJHGOBNE-DZGCQCFKSA-N 1 0 306.406 3.909 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512844222 340380584 /nfs/dbraw/zinc/38/05/84/340380584.db2.gz MCBXRHZWJBREKE-NEPJUHHUSA-N 1 0 314.332 3.525 20 5 DHBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000513045950 340390538 /nfs/dbraw/zinc/39/05/38/340390538.db2.gz IFVNCBKBDKHHJZ-HZMBPMFUSA-N 1 0 303.387 3.606 20 5 DHBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000513056690 340391244 /nfs/dbraw/zinc/39/12/44/340391244.db2.gz KHGXSHLCMIQQMA-IAQYHMDHSA-N 1 0 316.357 3.752 20 5 DHBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000513208973 340397322 /nfs/dbraw/zinc/39/73/22/340397322.db2.gz CVDBZLHVGUIMMX-RYUDHWBXSA-N 1 0 310.357 3.883 20 5 DHBDRO C[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564151792 340482244 /nfs/dbraw/zinc/48/22/44/340482244.db2.gz JNMOLTFOIITBBR-BLLLJJGKSA-N 1 0 301.390 3.787 20 5 DHBDRO Cc1ccncc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564150815 340482257 /nfs/dbraw/zinc/48/22/57/340482257.db2.gz DBPRAPCJBCUSHP-CYBMUJFWSA-N 1 0 324.384 3.673 20 5 DHBDRO Cc1ccc(C(=O)CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000187419531 340519908 /nfs/dbraw/zinc/51/99/08/340519908.db2.gz VIBYJKNTBATKDQ-AWEZNQCLSA-N 1 0 312.369 3.827 20 5 DHBDRO Cc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000237877740 340674765 /nfs/dbraw/zinc/67/47/65/340674765.db2.gz XLENPSSZBWOFPY-UHFFFAOYSA-N 1 0 300.402 3.962 20 5 DHBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000317014962 340699741 /nfs/dbraw/zinc/69/97/41/340699741.db2.gz QNIUEBKVIOUZGO-MRXNPFEDSA-N 1 0 316.788 3.548 20 5 DHBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000537982087 340795415 /nfs/dbraw/zinc/79/54/15/340795415.db2.gz JWVHQWXZVRPXNH-LBPRGKRZSA-N 1 0 305.403 3.725 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000539037150 340866036 /nfs/dbraw/zinc/86/60/36/340866036.db2.gz JFXRLSFPJGWQRZ-ZQIUZPCESA-N 1 0 306.406 3.757 20 5 DHBDRO Cc1c([C@H](C)[NH2+]CCSCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000539061467 340869303 /nfs/dbraw/zinc/86/93/03/340869303.db2.gz VSBRKGOVOXRZTD-JTQLQIEISA-N 1 0 322.352 3.849 20 5 DHBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000539234412 340877797 /nfs/dbraw/zinc/87/77/97/340877797.db2.gz RUSUACGUUMWUBX-NSHDSACASA-N 1 0 322.311 3.603 20 5 DHBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)Cc2ccccc2C1 ZINC000542485419 341009601 /nfs/dbraw/zinc/00/96/01/341009601.db2.gz PAAASFCRTLXCQE-UHFFFAOYSA-N 1 0 316.788 3.895 20 5 DHBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)O1 ZINC000542485064 341009679 /nfs/dbraw/zinc/00/96/79/341009679.db2.gz HOFSBPZENCDOBT-CYBMUJFWSA-N 1 0 312.797 3.684 20 5 DHBDRO C[C@H]([NH2+]CCCNc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000542488848 341010004 /nfs/dbraw/zinc/01/00/04/341010004.db2.gz PWIUKIMFKOSYPZ-ZDUSSCGKSA-N 1 0 317.364 3.887 20 5 DHBDRO C[C@@H]([NH2+]CCCNc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000542488847 341010078 /nfs/dbraw/zinc/01/00/78/341010078.db2.gz PWIUKIMFKOSYPZ-CYBMUJFWSA-N 1 0 317.364 3.887 20 5 DHBDRO CC1(C)CCC(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000542549344 341013019 /nfs/dbraw/zinc/01/30/19/341013019.db2.gz HITAGFFLZXSBMQ-UHFFFAOYSA-N 1 0 303.406 3.564 20 5 DHBDRO CCc1cnc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000130284156 341013097 /nfs/dbraw/zinc/01/30/97/341013097.db2.gz HCTIUTSNZITURB-GFCCVEGCSA-N 1 0 319.430 3.815 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000130384791 341020522 /nfs/dbraw/zinc/02/05/22/341020522.db2.gz BNSUQRPYQORUMC-LRDDRELGSA-N 1 0 312.369 3.947 20 5 DHBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCCSCC3)o2)c1 ZINC000543621087 341051444 /nfs/dbraw/zinc/05/14/44/341051444.db2.gz FAUMVGXXAIADAG-UHFFFAOYSA-N 1 0 318.398 3.794 20 5 DHBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCCS1)C1CC1 ZINC000544384609 341079586 /nfs/dbraw/zinc/07/95/86/341079586.db2.gz YQBHEYGBRYUULJ-HZPDHXFCSA-N 1 0 320.458 3.791 20 5 DHBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000544896258 341098133 /nfs/dbraw/zinc/09/81/33/341098133.db2.gz SFWAXIZQUHOLDB-OAHLLOKOSA-N 1 0 314.385 3.941 20 5 DHBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCOC1 ZINC000132042412 341115471 /nfs/dbraw/zinc/11/54/71/341115471.db2.gz HUSSTTLGHIQWPS-AWEZNQCLSA-N 1 0 318.398 3.544 20 5 DHBDRO CC1(c2ccccc2)CC([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000545285981 341119424 /nfs/dbraw/zinc/11/94/24/341119424.db2.gz OBUCVGMFERBKFY-UHFFFAOYSA-N 1 0 302.399 3.866 20 5 DHBDRO CC(C)(C)OCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000546659028 341177646 /nfs/dbraw/zinc/17/76/46/341177646.db2.gz LHQMHWPGUCGXFQ-GOEBONIOSA-N 1 0 320.433 3.711 20 5 DHBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1 ZINC000237722778 341218944 /nfs/dbraw/zinc/21/89/44/341218944.db2.gz HFKTYPTZVAYYQR-UHFFFAOYSA-N 1 0 313.332 3.548 20 5 DHBDRO C[C@@H](CCCC(F)(F)F)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000547828081 341235681 /nfs/dbraw/zinc/23/56/81/341235681.db2.gz YNTVPTOXLWFWDR-NSHDSACASA-N 1 0 320.311 3.684 20 5 DHBDRO CC(C)(C)OC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000548176068 341251738 /nfs/dbraw/zinc/25/17/38/341251738.db2.gz HGNMVSHQAJYUJE-UHFFFAOYSA-N 1 0 312.797 3.684 20 5 DHBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000548508509 341264978 /nfs/dbraw/zinc/26/49/78/341264978.db2.gz JIPODKRWNVFSGX-BFQNTYOBSA-N 1 0 314.389 3.624 20 5 DHBDRO C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000549236716 341289315 /nfs/dbraw/zinc/28/93/15/341289315.db2.gz FLWZCBFKUYCJBO-MGPQQGTHSA-N 1 0 306.406 3.839 20 5 DHBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCCC1 ZINC000549343347 341291580 /nfs/dbraw/zinc/29/15/80/341291580.db2.gz GXXACEXAVSCKIX-UHFFFAOYSA-N 1 0 302.296 3.988 20 5 DHBDRO CCOC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000549882962 341305799 /nfs/dbraw/zinc/30/57/99/341305799.db2.gz WPNAOWASAWEMEL-RVDMUPIBSA-N 1 0 318.417 3.937 20 5 DHBDRO COc1cc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000550444416 341317147 /nfs/dbraw/zinc/31/71/47/341317147.db2.gz UXPNMWXZVDLCQN-JSGCOSHPSA-N 1 0 322.380 3.753 20 5 DHBDRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000551228630 341334614 /nfs/dbraw/zinc/33/46/14/341334614.db2.gz KIWMYXBXCPTJTI-KBPBESRZSA-N 1 0 322.453 3.937 20 5 DHBDRO C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000246592780 341354131 /nfs/dbraw/zinc/35/41/31/341354131.db2.gz CTIKIVQXZQJJIB-RCUQFMMVSA-N 1 0 308.381 3.831 20 5 DHBDRO COc1cc(F)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090972147 341420972 /nfs/dbraw/zinc/42/09/72/341420972.db2.gz PFRPTOGNGRSNIF-LLVKDONJSA-N 1 0 304.321 3.593 20 5 DHBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000268861396 341605066 /nfs/dbraw/zinc/60/50/66/341605066.db2.gz JOLPEQZWVALQGX-CQSZACIVSA-N 1 0 318.398 3.832 20 5 DHBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000567651804 341624577 /nfs/dbraw/zinc/62/45/77/341624577.db2.gz GVYINRXUUHXGSV-UHFFFAOYSA-N 1 0 318.417 3.542 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)OCC1CC1 ZINC000573339431 341725627 /nfs/dbraw/zinc/72/56/27/341725627.db2.gz VDQSISRYRVEBTD-ZDUSSCGKSA-N 1 0 306.406 3.759 20 5 DHBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CC1(C)C ZINC000577298468 341903367 /nfs/dbraw/zinc/90/33/67/341903367.db2.gz OECBDSUQLXKAOB-ABAIWWIYSA-N 1 0 301.390 3.643 20 5 DHBDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000177578779 341921400 /nfs/dbraw/zinc/92/14/00/341921400.db2.gz FPANHJXOZXXFPD-UONOGXRCSA-N 1 0 314.385 3.885 20 5 DHBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000583944060 518203196 /nfs/dbraw/zinc/20/31/96/518203196.db2.gz BAEHWJIUYPNPCE-RISCZKNCSA-N 1 0 310.344 3.997 20 5 DHBDRO CCOCc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000119555885 520213853 /nfs/dbraw/zinc/21/38/53/520213853.db2.gz BXSJWUREXQSJRU-AWEZNQCLSA-N 1 0 314.385 3.982 20 5 DHBDRO CC[NH+](CC)C[C@H]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182815954 520741245 /nfs/dbraw/zinc/74/12/45/520741245.db2.gz OVIXHSDVCIQACY-JKSUJKDBSA-N 1 0 319.449 3.628 20 5 DHBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000157680165 522614928 /nfs/dbraw/zinc/61/49/28/522614928.db2.gz WODISNFGBDWEFN-DLBZAZTESA-N 1 0 318.348 3.508 20 5 DHBDRO CC[C@@H]([NH2+]CC1(SC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181162201 522821173 /nfs/dbraw/zinc/82/11/73/522821173.db2.gz OUMCVGBOQZXKBE-OAHLLOKOSA-N 1 0 324.446 3.548 20 5 DHBDRO COc1ccccc1[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000158093671 524813359 /nfs/dbraw/zinc/81/33/59/524813359.db2.gz PTSXUWRIXWMNAE-ZDUSSCGKSA-N 1 0 318.398 3.654 20 5 DHBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173387330 524900271 /nfs/dbraw/zinc/90/02/71/524900271.db2.gz LYRKWTNHDHNRNW-STQMWFEESA-N 1 0 300.358 3.582 20 5 DHBDRO C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000266846573 525408130 /nfs/dbraw/zinc/40/81/30/525408130.db2.gz IBAMTLMAERKERP-ZBEGNZNMSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000178564553 525496073 /nfs/dbraw/zinc/49/60/73/525496073.db2.gz HWTQNKHXJVZTAY-BZNIZROVSA-N 1 0 320.776 3.632 20 5 DHBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000267431661 525644703 /nfs/dbraw/zinc/64/47/03/525644703.db2.gz MQKXFGIEGXTMGB-GDBMZVCRSA-N 1 0 311.385 3.524 20 5 DHBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000130674051 525781925 /nfs/dbraw/zinc/78/19/25/525781925.db2.gz LMXFWERZTFVSMV-KDOFPFPSSA-N 1 0 314.385 3.596 20 5 DHBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000191266941 525893617 /nfs/dbraw/zinc/89/36/17/525893617.db2.gz CLNGDXYHCVWZAL-CYBMUJFWSA-N 1 0 316.405 3.574 20 5 DHBDRO Cc1c([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000134791198 525905064 /nfs/dbraw/zinc/90/50/64/525905064.db2.gz HQUNHWIFQGLCRD-QCPWZWHMSA-N 1 0 316.401 3.511 20 5 DHBDRO Cc1c([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000159998704 525920414 /nfs/dbraw/zinc/92/04/14/525920414.db2.gz GXCGCBYXBJBMAY-LRDDRELGSA-N 1 0 320.414 3.523 20 5 DHBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000157955371 525922248 /nfs/dbraw/zinc/92/22/48/525922248.db2.gz LYTZUHYQMNVSCQ-QEORTHHSSA-N 1 0 304.390 3.511 20 5 DHBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000364144434 525924632 /nfs/dbraw/zinc/92/46/32/525924632.db2.gz BYNJLZWTVVLJKX-DOPJRALCSA-N 1 0 318.417 3.759 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000368617515 526087777 /nfs/dbraw/zinc/08/77/77/526087777.db2.gz ZNWJBYBWFIGEIR-OAHLLOKOSA-N 1 0 317.433 3.524 20 5 DHBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000130435461 526089266 /nfs/dbraw/zinc/08/92/66/526089266.db2.gz AGULOJPKLMVQON-SJKOYZFVSA-N 1 0 312.369 3.947 20 5 DHBDRO O=[N+]([O-])c1ccc(CNc2cc3c(c[nH+]2)CCC3)c(Cl)c1 ZINC000339556720 527352387 /nfs/dbraw/zinc/35/23/87/527352387.db2.gz UMAHUGITBIGJMH-UHFFFAOYSA-N 1 0 303.749 3.744 20 5 DHBDRO CC(C)([NH2+]CC[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000298091294 535248389 /nfs/dbraw/zinc/24/83/89/535248389.db2.gz IFLANRYOIYXYOS-QGZVFWFLSA-N 1 0 314.385 3.543 20 5 DHBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000285359272 535397792 /nfs/dbraw/zinc/39/77/92/535397792.db2.gz BFTQWMPOEKRCFQ-UHFFFAOYSA-N 1 0 324.808 3.639 20 5 DHBDRO